NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641989 |
6qyu   |
34372 | cing | 4-filtered-FRED | STAR | entry | full | 19 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qyu
# This FRED archive file contains, for PDB entry <6qyu>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6qyu
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6qyu
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 772.91
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $PHE_DHA_DAL_LEU_DHA_LEU_CYS_ALA A . 1 1
stop_
save_
save_PHE_DHA_DAL_LEU_DHA_LEU_CYS_ALA
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "PHE DHA DAL LEU DHA LEU CYS ALA"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code FXXLXLCA
_Entity.Number_of_monomers 8
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 PHE . 1 1
2 DHA $DHA 1 1
3 DAL $DAL 1 1
4 LEU . 1 1
5 DHA $DHA 1 1
6 LEU . 1 1
7 CYS . 1 1
8 ALA . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
PHE 1 1 1 1
DHA 2 2 1 1
DAL 3 3 1 1
LEU 4 4 1 1
DHA 5 5 1 1
LEU 6 6 1 1
CYS 7 7 1 1
ALA 8 8 1 1
stop_
save_
save_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DAL
_Chem_comp.Type non-polymer
save_
save_DHA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DHA
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 3 DAL HA . 3 . HA 1 1
1 1 2 1 1 4 LEU H . 4 . HN 1 1
2 1 1 1 1 3 DAL HA . 3 . HA 1 1
2 1 2 1 1 7 CYS HB3 . 7 . HB1 1 1
3 1 1 1 1 3 DAL HB1 . 3 . HB2 1 1
3 1 2 1 1 4 LEU H . 4 . HN 1 1
4 1 1 1 1 3 DAL HB1 . 3 . HB1 1 1
4 1 2 1 1 7 CYS H . 7 . HN 1 1
5 1 1 1 1 4 LEU HA . 4 . HA 1 1
5 1 2 1 1 6 LEU H . 6 . HN 1 1
6 1 1 1 1 6 LEU H . 6 . HN 1 1
6 1 2 1 1 7 CYS H . 7 . HN 1 1
7 1 1 1 1 6 LEU H . 6 . HN 1 1
7 1 2 1 1 7 CYS HA . 7 . HA 1 1
8 1 1 1 1 6 LEU HA . 6 . HA 1 1
8 1 2 1 1 7 CYS H . 7 . HN 1 1
9 1 1 1 1 6 LEU QB . 6 . HB# 1 1
9 1 2 1 1 7 CYS H . 7 . HN 1 1
10 1 1 1 1 6 LEU QB . 6 . HB# 1 1
10 1 2 1 1 7 CYS HB2 . 7 . HB2 1 1
11 1 1 1 1 6 LEU MD2 . 6 . HD2# 1 1
11 1 2 1 1 7 CYS H . 7 . HN 1 1
12 1 1 1 1 7 CYS H . 7 . HN 1 1
12 1 2 1 1 8 ALA H . 8 . HN 1 1
13 1 1 1 1 7 CYS HA . 7 . HA 1 1
13 1 2 1 1 8 ALA H . 8 . HN 1 1
14 1 1 1 1 7 CYS HA . 7 . HA 1 1
14 1 2 1 1 8 ALA MB . 8 . HB# 1 1
15 1 1 1 1 7 CYS HB2 . 7 . HB2 1 1
15 1 2 1 1 8 ALA H . 8 . HN 1 1
16 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1
16 1 2 1 1 8 ALA H . 8 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 2.6 4.0 1 1
2 1 . . . . . 3.0 2.4 3.6 1 1
3 1 . . . . . 3.4 2.7 4.0 1 1
4 1 . . . . . 3.5 2.8 4.2 1 1
5 1 . . . . . 4.1 3.3 4.9 1 1
6 1 . . . . . 3.4 2.7 4.1 1 1
7 1 . . . . . 4.4 3.5 5.3 1 1
8 1 . . . . . 2.8 2.2 3.4 1 1
9 1 . . . . . 4.3 3.4 5.2 1 1
10 1 . . . . . 4.4 3.5 5.3 1 1
11 1 . . . . . 4.5 3.6 5.4 1 1
12 1 . . . . . 3.6 2.9 4.3 1 1
13 1 . . . . . 2.8 2.2 3.4 1 1
14 1 . . . . . 4.6 3.7 5.5 1 1
15 1 . . . . . 3.4 2.7 4.1 1 1
16 1 . . . . . 3.7 3.0 4.4 1 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 2 DHA C 1 1 3 DAL N 1 1 3 DAL CA 1 1 3 DAL C -175.7 -15.699999 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 6 LEU C 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C -175.7 -15.699999 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
3 . 1 1 7 CYS C 1 1 8 ALA N 1 1 8 ALA CA 1 1 8 ALA C -146.3 -26.3 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 PHE C C 8.609 2.231 8.194 1.00 . A A . 1 PHE C 1 1
1 2 1 1 1 PHE CA C 9.262 1.254 7.221 1.00 . A A . 1 PHE CA 1 1
1 3 1 1 1 PHE CB C 9.404 1.907 5.847 1.00 . A A . 1 PHE CB 1 1
1 4 1 1 1 PHE CD1 C 9.519 0.114 4.080 1.00 . A A . 1 PHE CD1 1 1
1 5 1 1 1 PHE CD2 C 11.588 1.036 4.944 1.00 . A A . 1 PHE CD2 1 1
1 6 1 1 1 PHE CE1 C 10.248 -0.731 3.235 1.00 . A A . 1 PHE CE1 1 1
1 7 1 1 1 PHE CE2 C 12.318 0.191 4.098 1.00 . A A . 1 PHE CE2 1 1
1 8 1 1 1 PHE CG C 10.189 0.996 4.935 1.00 . A A . 1 PHE CG 1 1
1 9 1 1 1 PHE CZ C 11.647 -0.692 3.243 1.00 . A A . 1 PHE CZ 1 1
1 10 1 1 1 PHE H1 H 7.726 0.010 7.877 1.00 . A A . 1 PHE H1 1 1
1 11 1 1 1 PHE H2 H 9.024 -0.813 7.153 1.00 . A A . 1 PHE H2 1 1
1 12 1 1 1 PHE H3 H 7.916 0.044 6.191 1.00 . A A . 1 PHE H3 1 1
1 13 1 1 1 PHE HA H 10.239 0.979 7.591 1.00 . A A . 1 PHE HA 1 1
1 14 1 1 1 PHE HB2 H 8.424 2.080 5.428 1.00 . A A . 1 PHE HB2 1 1
1 15 1 1 1 PHE HB3 H 9.923 2.848 5.950 1.00 . A A . 1 PHE HB3 1 1
1 16 1 1 1 PHE HD1 H 8.439 0.084 4.074 1.00 . A A . 1 PHE HD1 1 1
1 17 1 1 1 PHE HD2 H 12.104 1.717 5.603 1.00 . A A . 1 PHE HD2 1 1
1 18 1 1 1 PHE HE1 H 9.730 -1.412 2.575 1.00 . A A . 1 PHE HE1 1 1
1 19 1 1 1 PHE HE2 H 13.397 0.222 4.105 1.00 . A A . 1 PHE HE2 1 1
1 20 1 1 1 PHE HZ H 12.210 -1.343 2.592 1.00 . A A . 1 PHE HZ 1 1
1 21 1 1 1 PHE N N 8.418 0.031 7.102 1.00 . A A . 1 PHE N 1 1
1 22 1 1 1 PHE O O 8.372 1.899 9.356 1.00 . A A . 1 PHE O 1 1
1 23 1 1 2 DHA C C 6.583 5.059 7.899 1.00 . A A . 2 DHA C 1 1
1 24 1 1 2 DHA CA C 7.716 4.395 8.550 1.00 . A A . 2 DHA CA 1 1
1 25 1 1 2 DHA CB C 8.036 4.744 9.792 1.00 . A A . 2 DHA CB 1 1
1 26 1 1 2 DHA H H 8.495 3.729 6.794 1.00 . A A . 2 DHA H 1 1
1 27 1 1 2 DHA HB1 H 8.851 4.285 10.273 1.00 . A A . 2 DHA HB1 1 1
1 28 1 1 2 DHA HB2 H 7.465 5.497 10.316 1.00 . A A . 2 DHA HB2 1 1
1 29 1 1 2 DHA N N 8.312 3.455 7.717 1.00 . A A . 2 DHA N 1 1
1 30 1 1 2 DHA O O 5.594 4.443 7.505 1.00 . A A . 2 DHA O 1 1
1 31 1 1 3 DAL C C 5.689 7.105 5.687 1.00 . A A . 3 DAL C 1 1
1 32 1 1 3 DAL CA C 5.608 7.131 7.217 1.00 . A A . 3 DAL CA 1 1
1 33 1 1 3 DAL CB C 4.300 6.523 7.722 1.00 . A A . 3 DAL CB 1 1
1 34 1 1 3 DAL H H 7.477 6.874 8.143 1.00 . A A . 3 DAL H 1 1
1 35 1 1 3 DAL HA H 5.665 8.146 7.551 1.00 . A A . 3 DAL HA 1 1
1 36 1 1 3 DAL HB1 H 4.479 6.045 8.675 1.00 . A A . 3 DAL HB1 1 1
1 37 1 1 3 DAL HB2 H 3.957 5.787 7.023 1.00 . A A . 3 DAL HB2 1 1
1 38 1 1 3 DAL N N 6.694 6.390 7.804 1.00 . A A . 3 DAL N 1 1
1 39 1 1 3 DAL O O 5.073 7.928 5.010 1.00 . A A . 3 DAL O 1 1
1 40 1 1 4 LEU C C 5.726 5.057 3.060 1.00 . A A . 4 LEU C 1 1
1 41 1 1 4 LEU CA C 6.646 6.103 3.693 1.00 . A A . 4 LEU CA 1 1
1 42 1 1 4 LEU CB C 8.095 5.774 3.347 1.00 . A A . 4 LEU CB 1 1
1 43 1 1 4 LEU CD1 C 9.964 4.219 3.908 1.00 . A A . 4 LEU CD1 1 1
1 44 1 1 4 LEU CD2 C 9.097 5.805 5.633 1.00 . A A . 4 LEU CD2 1 1
1 45 1 1 4 LEU CG C 8.712 4.915 4.449 1.00 . A A . 4 LEU CG 1 1
1 46 1 1 4 LEU H H 6.988 5.577 5.727 1.00 . A A . 4 LEU H 1 1
1 47 1 1 4 LEU HA H 6.406 7.067 3.269 1.00 . A A . 4 LEU HA 1 1
1 48 1 1 4 LEU HB2 H 8.129 5.239 2.410 1.00 . A A . 4 LEU HB2 1 1
1 49 1 1 4 LEU HB3 H 8.652 6.690 3.259 1.00 . A A . 4 LEU HB3 1 1
1 50 1 1 4 LEU HD11 H 9.766 3.165 3.784 1.00 . A A . 4 LEU HD11 1 1
1 51 1 1 4 LEU HD12 H 10.780 4.354 4.603 1.00 . A A . 4 LEU HD12 1 1
1 52 1 1 4 LEU HD13 H 10.231 4.650 2.954 1.00 . A A . 4 LEU HD13 1 1
1 53 1 1 4 LEU HD21 H 8.694 6.796 5.485 1.00 . A A . 4 LEU HD21 1 1
1 54 1 1 4 LEU HD22 H 10.173 5.862 5.708 1.00 . A A . 4 LEU HD22 1 1
1 55 1 1 4 LEU HD23 H 8.695 5.387 6.544 1.00 . A A . 4 LEU HD23 1 1
1 56 1 1 4 LEU HG H 7.997 4.172 4.770 1.00 . A A . 4 LEU HG 1 1
1 57 1 1 4 LEU N N 6.483 6.186 5.146 1.00 . A A . 4 LEU N 1 1
1 58 1 1 4 LEU O O 5.567 5.026 1.839 1.00 . A A . 4 LEU O 1 1
1 59 1 1 5 DHA C C 3.118 2.973 4.194 1.00 . A A . 5 DHA C 1 1
1 60 1 1 5 DHA CA C 4.260 3.220 3.344 1.00 . A A . 5 DHA CA 1 1
1 61 1 1 5 DHA CB C 4.347 2.567 2.215 1.00 . A A . 5 DHA CB 1 1
1 62 1 1 5 DHA H H 5.217 4.201 4.849 1.00 . A A . 5 DHA H 1 1
1 63 1 1 5 DHA HB1 H 5.156 2.745 1.591 1.00 . A A . 5 DHA HB1 1 1
1 64 1 1 5 DHA HB2 H 3.596 1.840 1.939 1.00 . A A . 5 DHA HB2 1 1
1 65 1 1 5 DHA N N 5.108 4.189 3.880 1.00 . A A . 5 DHA N 1 1
1 66 1 1 5 DHA O O 3.097 2.056 4.995 1.00 . A A . 5 DHA O 1 1
1 67 1 1 6 LEU C C 0.402 5.099 5.127 1.00 . A A . 6 LEU C 1 1
1 68 1 1 6 LEU CA C 0.866 3.711 4.727 1.00 . A A . 6 LEU CA 1 1
1 69 1 1 6 LEU CB C 1.051 2.864 5.988 1.00 . A A . 6 LEU CB 1 1
1 70 1 1 6 LEU CD1 C 1.621 4.140 8.063 1.00 . A A . 6 LEU CD1 1 1
1 71 1 1 6 LEU CD2 C 3.148 2.304 7.326 1.00 . A A . 6 LEU CD2 1 1
1 72 1 1 6 LEU CG C 2.206 3.424 6.844 1.00 . A A . 6 LEU CG 1 1
1 73 1 1 6 LEU H H 2.193 4.508 3.284 1.00 . A A . 6 LEU H 1 1
1 74 1 1 6 LEU HA H 0.125 3.255 4.098 1.00 . A A . 6 LEU HA 1 1
1 75 1 1 6 LEU HB2 H 0.139 2.894 6.564 1.00 . A A . 6 LEU HB2 1 1
1 76 1 1 6 LEU HB3 H 1.259 1.852 5.698 1.00 . A A . 6 LEU HB3 1 1
1 77 1 1 6 LEU HD11 H 1.136 3.419 8.705 1.00 . A A . 6 LEU HD11 1 1
1 78 1 1 6 LEU HD12 H 0.897 4.874 7.736 1.00 . A A . 6 LEU HD12 1 1
1 79 1 1 6 LEU HD13 H 2.412 4.634 8.608 1.00 . A A . 6 LEU HD13 1 1
1 80 1 1 6 LEU HD21 H 3.254 2.360 8.396 1.00 . A A . 6 LEU HD21 1 1
1 81 1 1 6 LEU HD22 H 4.120 2.434 6.866 1.00 . A A . 6 LEU HD22 1 1
1 82 1 1 6 LEU HD23 H 2.753 1.339 7.052 1.00 . A A . 6 LEU HD23 1 1
1 83 1 1 6 LEU HG H 2.769 4.130 6.260 1.00 . A A . 6 LEU HG 1 1
1 84 1 1 6 LEU N N 2.111 3.815 3.976 1.00 . A A . 6 LEU N 1 1
1 85 1 1 6 LEU O O -0.753 5.477 4.938 1.00 . A A . 6 LEU O 1 1
1 86 1 1 7 CYS C C 0.251 7.961 5.105 1.00 . A A . 7 CYS C 1 1
1 87 1 1 7 CYS CA C 1.116 7.203 6.102 1.00 . A A . 7 CYS CA 1 1
1 88 1 1 7 CYS CB C 2.482 7.852 6.219 1.00 . A A . 7 CYS CB 1 1
1 89 1 1 7 CYS H H 2.236 5.466 5.766 1.00 . A A . 7 CYS H 1 1
1 90 1 1 7 CYS HA H 0.635 7.200 7.062 1.00 . A A . 7 CYS HA 1 1
1 91 1 1 7 CYS HB2 H 3.165 7.280 5.614 1.00 . A A . 7 CYS HB2 1 1
1 92 1 1 7 CYS HB3 H 2.446 8.872 5.867 1.00 . A A . 7 CYS HB3 1 1
1 93 1 1 7 CYS N N 1.342 5.844 5.666 1.00 . A A . 7 CYS N 1 1
1 94 1 1 7 CYS O O -0.238 9.052 5.393 1.00 . A A . 7 CYS O 1 1
1 95 1 1 7 CYS SG S 3.046 7.816 7.932 1.00 . A A . 7 CYS SG 1 1
1 96 1 1 8 ALA C C -1.788 8.914 3.500 1.00 . A A . 8 ALA C 1 1
1 97 1 1 8 ALA CA C -0.742 7.981 2.895 1.00 . A A . 8 ALA CA 1 1
1 98 1 1 8 ALA CB C -1.435 6.886 2.095 1.00 . A A . 8 ALA CB 1 1
1 99 1 1 8 ALA H H 0.482 6.499 3.766 1.00 . A A . 8 ALA H 1 1
1 100 1 1 8 ALA HA H -0.103 8.547 2.235 1.00 . A A . 8 ALA HA 1 1
1 101 1 1 8 ALA HB1 H -0.760 6.512 1.341 1.00 . A A . 8 ALA HB1 1 1
1 102 1 1 8 ALA HB2 H -2.318 7.288 1.625 1.00 . A A . 8 ALA HB2 1 1
1 103 1 1 8 ALA HB3 H -1.714 6.082 2.761 1.00 . A A . 8 ALA HB3 1 1
1 104 1 1 8 ALA N N 0.068 7.369 3.934 1.00 . A A . 8 ALA N 1 1
1 105 1 1 8 ALA O O -2.406 8.523 4.476 1.00 . A A . 8 ALA O 1 1
1 106 1 1 8 ALA OXT O -1.954 10.003 2.977 1.00 . A A . 8 ALA OXT 1 1
2 107 1 1 1 PHE C C 9.824 4.337 6.996 1.00 . A A . 1 PHE C 1 1
2 108 1 1 1 PHE CA C 10.645 3.517 6.005 1.00 . A A . 1 PHE CA 1 1
2 109 1 1 1 PHE CB C 11.901 2.973 6.690 1.00 . A A . 1 PHE CB 1 1
2 110 1 1 1 PHE CD1 C 12.503 0.531 6.511 1.00 . A A . 1 PHE CD1 1 1
2 111 1 1 1 PHE CD2 C 12.848 1.962 4.584 1.00 . A A . 1 PHE CD2 1 1
2 112 1 1 1 PHE CE1 C 12.994 -0.563 5.787 1.00 . A A . 1 PHE CE1 1 1
2 113 1 1 1 PHE CE2 C 13.340 0.869 3.860 1.00 . A A . 1 PHE CE2 1 1
2 114 1 1 1 PHE CG C 12.430 1.793 5.909 1.00 . A A . 1 PHE CG 1 1
2 115 1 1 1 PHE CZ C 13.412 -0.394 4.462 1.00 . A A . 1 PHE CZ 1 1
2 116 1 1 1 PHE H1 H 10.271 5.041 4.635 1.00 . A A . 1 PHE H1 1 1
2 117 1 1 1 PHE H2 H 11.243 3.786 4.029 1.00 . A A . 1 PHE H2 1 1
2 118 1 1 1 PHE H3 H 11.896 4.923 5.110 1.00 . A A . 1 PHE H3 1 1
2 119 1 1 1 PHE HA H 10.050 2.693 5.641 1.00 . A A . 1 PHE HA 1 1
2 120 1 1 1 PHE HB2 H 12.654 3.746 6.729 1.00 . A A . 1 PHE HB2 1 1
2 121 1 1 1 PHE HB3 H 11.655 2.657 7.694 1.00 . A A . 1 PHE HB3 1 1
2 122 1 1 1 PHE HD1 H 12.180 0.399 7.533 1.00 . A A . 1 PHE HD1 1 1
2 123 1 1 1 PHE HD2 H 12.793 2.936 4.119 1.00 . A A . 1 PHE HD2 1 1
2 124 1 1 1 PHE HE1 H 13.050 -1.537 6.250 1.00 . A A . 1 PHE HE1 1 1
2 125 1 1 1 PHE HE2 H 13.662 0.998 2.838 1.00 . A A . 1 PHE HE2 1 1
2 126 1 1 1 PHE HZ H 13.791 -1.237 3.903 1.00 . A A . 1 PHE HZ 1 1
2 127 1 1 1 PHE N N 11.044 4.383 4.858 1.00 . A A . 1 PHE N 1 1
2 128 1 1 1 PHE O O 10.220 5.435 7.387 1.00 . A A . 1 PHE O 1 1
2 129 1 1 2 DHA C C 6.722 5.116 7.646 1.00 . A A . 2 DHA C 1 1
2 130 1 1 2 DHA CA C 7.860 4.479 8.313 1.00 . A A . 2 DHA CA 1 1
2 131 1 1 2 DHA CB C 7.997 4.626 9.627 1.00 . A A . 2 DHA CB 1 1
2 132 1 1 2 DHA H H 8.346 2.921 7.102 1.00 . A A . 2 DHA H 1 1
2 133 1 1 2 DHA HB1 H 8.813 4.185 10.123 1.00 . A A . 2 DHA HB1 1 1
2 134 1 1 2 DHA HB2 H 7.271 5.192 10.194 1.00 . A A . 2 DHA HB2 1 1
2 135 1 1 2 DHA N N 8.665 3.795 7.409 1.00 . A A . 2 DHA N 1 1
2 136 1 1 2 DHA O O 5.859 4.479 7.042 1.00 . A A . 2 DHA O 1 1
2 137 1 1 3 DAL C C 5.679 7.106 5.660 1.00 . A A . 3 DAL C 1 1
2 138 1 1 3 DAL CA C 5.585 7.157 7.186 1.00 . A A . 3 DAL CA 1 1
2 139 1 1 3 DAL CB C 4.285 6.536 7.692 1.00 . A A . 3 DAL CB 1 1
2 140 1 1 3 DAL H H 7.366 6.938 8.276 1.00 . A A . 3 DAL H 1 1
2 141 1 1 3 DAL HA H 5.629 8.175 7.506 1.00 . A A . 3 DAL HA 1 1
2 142 1 1 3 DAL HB1 H 4.473 6.038 8.632 1.00 . A A . 3 DAL HB1 1 1
2 143 1 1 3 DAL HB2 H 3.934 5.816 6.981 1.00 . A A . 3 DAL HB2 1 1
2 144 1 1 3 DAL N N 6.683 6.443 7.777 1.00 . A A . 3 DAL N 1 1
2 145 1 1 3 DAL O O 5.068 7.913 4.962 1.00 . A A . 3 DAL O 1 1
2 146 1 1 4 LEU C C 5.770 5.021 3.063 1.00 . A A . 4 LEU C 1 1
2 147 1 1 4 LEU CA C 6.692 6.064 3.708 1.00 . A A . 4 LEU CA 1 1
2 148 1 1 4 LEU CB C 8.148 5.696 3.418 1.00 . A A . 4 LEU CB 1 1
2 149 1 1 4 LEU CD1 C 10.157 6.299 2.062 1.00 . A A . 4 LEU CD1 1 1
2 150 1 1 4 LEU CD2 C 7.934 6.040 0.953 1.00 . A A . 4 LEU CD2 1 1
2 151 1 1 4 LEU CG C 8.651 6.507 2.223 1.00 . A A . 4 LEU CG 1 1
2 152 1 1 4 LEU H H 6.988 5.591 5.760 1.00 . A A . 4 LEU H 1 1
2 153 1 1 4 LEU HA H 6.489 7.023 3.257 1.00 . A A . 4 LEU HA 1 1
2 154 1 1 4 LEU HB2 H 8.753 5.916 4.286 1.00 . A A . 4 LEU HB2 1 1
2 155 1 1 4 LEU HB3 H 8.215 4.643 3.191 1.00 . A A . 4 LEU HB3 1 1
2 156 1 1 4 LEU HD11 H 10.347 5.293 1.723 1.00 . A A . 4 LEU HD11 1 1
2 157 1 1 4 LEU HD12 H 10.646 6.457 3.013 1.00 . A A . 4 LEU HD12 1 1
2 158 1 1 4 LEU HD13 H 10.542 7.002 1.339 1.00 . A A . 4 LEU HD13 1 1
2 159 1 1 4 LEU HD21 H 8.526 6.304 0.088 1.00 . A A . 4 LEU HD21 1 1
2 160 1 1 4 LEU HD22 H 6.968 6.518 0.887 1.00 . A A . 4 LEU HD22 1 1
2 161 1 1 4 LEU HD23 H 7.805 4.968 0.987 1.00 . A A . 4 LEU HD23 1 1
2 162 1 1 4 LEU HG H 8.447 7.556 2.389 1.00 . A A . 4 LEU HG 1 1
2 163 1 1 4 LEU N N 6.491 6.181 5.152 1.00 . A A . 4 LEU N 1 1
2 164 1 1 4 LEU O O 5.651 4.977 1.839 1.00 . A A . 4 LEU O 1 1
2 165 1 1 5 DHA C C 3.112 2.956 4.150 1.00 . A A . 5 DHA C 1 1
2 166 1 1 5 DHA CA C 4.258 3.218 3.311 1.00 . A A . 5 DHA CA 1 1
2 167 1 1 5 DHA CB C 4.351 2.590 2.167 1.00 . A A . 5 DHA CB 1 1
2 168 1 1 5 DHA H H 5.177 4.190 4.848 1.00 . A A . 5 DHA H 1 1
2 169 1 1 5 DHA HB1 H 5.163 2.781 1.549 1.00 . A A . 5 DHA HB1 1 1
2 170 1 1 5 DHA HB2 H 3.601 1.871 1.870 1.00 . A A . 5 DHA HB2 1 1
2 171 1 1 5 DHA N N 5.104 4.174 3.872 1.00 . A A . 5 DHA N 1 1
2 172 1 1 5 DHA O O 3.062 1.995 4.900 1.00 . A A . 5 DHA O 1 1
2 173 1 1 6 LEU C C 0.401 5.107 5.123 1.00 . A A . 6 LEU C 1 1
2 174 1 1 6 LEU CA C 0.886 3.723 4.728 1.00 . A A . 6 LEU CA 1 1
2 175 1 1 6 LEU CB C 1.085 2.878 5.988 1.00 . A A . 6 LEU CB 1 1
2 176 1 1 6 LEU CD1 C 1.757 4.117 8.058 1.00 . A A . 6 LEU CD1 1 1
2 177 1 1 6 LEU CD2 C 3.219 2.264 7.239 1.00 . A A . 6 LEU CD2 1 1
2 178 1 1 6 LEU CG C 2.280 3.408 6.807 1.00 . A A . 6 LEU CG 1 1
2 179 1 1 6 LEU H H 2.230 4.565 3.329 1.00 . A A . 6 LEU H 1 1
2 180 1 1 6 LEU HA H 0.152 3.255 4.099 1.00 . A A . 6 LEU HA 1 1
2 181 1 1 6 LEU HB2 H 0.190 2.936 6.591 1.00 . A A . 6 LEU HB2 1 1
2 182 1 1 6 LEU HB3 H 1.256 1.861 5.695 1.00 . A A . 6 LEU HB3 1 1
2 183 1 1 6 LEU HD11 H 2.536 4.739 8.471 1.00 . A A . 6 LEU HD11 1 1
2 184 1 1 6 LEU HD12 H 1.457 3.381 8.790 1.00 . A A . 6 LEU HD12 1 1
2 185 1 1 6 LEU HD13 H 0.907 4.730 7.795 1.00 . A A . 6 LEU HD13 1 1
2 186 1 1 6 LEU HD21 H 2.787 1.310 6.986 1.00 . A A . 6 LEU HD21 1 1
2 187 1 1 6 LEU HD22 H 3.379 2.313 8.303 1.00 . A A . 6 LEU HD22 1 1
2 188 1 1 6 LEU HD23 H 4.169 2.373 6.732 1.00 . A A . 6 LEU HD23 1 1
2 189 1 1 6 LEU HG H 2.833 4.113 6.214 1.00 . A A . 6 LEU HG 1 1
2 190 1 1 6 LEU N N 2.130 3.837 3.981 1.00 . A A . 6 LEU N 1 1
2 191 1 1 6 LEU O O -0.747 5.485 4.892 1.00 . A A . 6 LEU O 1 1
2 192 1 1 7 CYS C C 0.178 7.953 5.173 1.00 . A A . 7 CYS C 1 1
2 193 1 1 7 CYS CA C 1.074 7.206 6.150 1.00 . A A . 7 CYS CA 1 1
2 194 1 1 7 CYS CB C 2.431 7.883 6.243 1.00 . A A . 7 CYS CB 1 1
2 195 1 1 7 CYS H H 2.206 5.471 5.839 1.00 . A A . 7 CYS H 1 1
2 196 1 1 7 CYS HA H 0.617 7.197 7.120 1.00 . A A . 7 CYS HA 1 1
2 197 1 1 7 CYS HB2 H 3.114 7.340 5.610 1.00 . A A . 7 CYS HB2 1 1
2 198 1 1 7 CYS HB3 H 2.364 8.908 5.914 1.00 . A A . 7 CYS HB3 1 1
2 199 1 1 7 CYS N N 1.317 5.849 5.708 1.00 . A A . 7 CYS N 1 1
2 200 1 1 7 CYS O O -0.490 8.920 5.540 1.00 . A A . 7 CYS O 1 1
2 201 1 1 7 CYS SG S 3.035 7.825 7.942 1.00 . A A . 7 CYS SG 1 1
2 202 1 1 8 ALA C C -1.134 7.109 1.892 1.00 . A A . 8 ALA C 1 1
2 203 1 1 8 ALA CA C -0.639 8.138 2.902 1.00 . A A . 8 ALA CA 1 1
2 204 1 1 8 ALA CB C 0.185 9.211 2.191 1.00 . A A . 8 ALA CB 1 1
2 205 1 1 8 ALA H H 0.730 6.731 3.696 1.00 . A A . 8 ALA H 1 1
2 206 1 1 8 ALA HA H -1.490 8.609 3.371 1.00 . A A . 8 ALA HA 1 1
2 207 1 1 8 ALA HB1 H -0.463 9.811 1.573 1.00 . A A . 8 ALA HB1 1 1
2 208 1 1 8 ALA HB2 H 0.935 8.736 1.576 1.00 . A A . 8 ALA HB2 1 1
2 209 1 1 8 ALA HB3 H 0.666 9.838 2.927 1.00 . A A . 8 ALA HB3 1 1
2 210 1 1 8 ALA N N 0.174 7.503 3.928 1.00 . A A . 8 ALA N 1 1
2 211 1 1 8 ALA O O -0.596 6.015 1.879 1.00 . A A . 8 ALA O 1 1
2 212 1 1 8 ALA OXT O -2.045 7.430 1.146 1.00 . A A . 8 ALA OXT 1 1
3 213 1 1 1 PHE C C 9.701 3.926 7.380 1.00 . A A . 1 PHE C 1 1
3 214 1 1 1 PHE CA C 10.415 2.951 6.452 1.00 . A A . 1 PHE CA 1 1
3 215 1 1 1 PHE CB C 11.581 3.653 5.754 1.00 . A A . 1 PHE CB 1 1
3 216 1 1 1 PHE CD1 C 12.753 5.345 7.210 1.00 . A A . 1 PHE CD1 1 1
3 217 1 1 1 PHE CD2 C 13.483 3.034 7.288 1.00 . A A . 1 PHE CD2 1 1
3 218 1 1 1 PHE CE1 C 13.726 5.685 8.157 1.00 . A A . 1 PHE CE1 1 1
3 219 1 1 1 PHE CE2 C 14.457 3.374 8.236 1.00 . A A . 1 PHE CE2 1 1
3 220 1 1 1 PHE CG C 12.631 4.021 6.775 1.00 . A A . 1 PHE CG 1 1
3 221 1 1 1 PHE CZ C 14.578 4.699 8.670 1.00 . A A . 1 PHE CZ 1 1
3 222 1 1 1 PHE H1 H 8.507 2.821 5.630 1.00 . A A . 1 PHE H1 1 1
3 223 1 1 1 PHE H2 H 9.434 1.408 5.455 1.00 . A A . 1 PHE H2 1 1
3 224 1 1 1 PHE H3 H 9.758 2.765 4.485 1.00 . A A . 1 PHE H3 1 1
3 225 1 1 1 PHE HA H 10.792 2.119 7.029 1.00 . A A . 1 PHE HA 1 1
3 226 1 1 1 PHE HB2 H 12.012 2.992 5.016 1.00 . A A . 1 PHE HB2 1 1
3 227 1 1 1 PHE HB3 H 11.224 4.550 5.270 1.00 . A A . 1 PHE HB3 1 1
3 228 1 1 1 PHE HD1 H 12.095 6.106 6.815 1.00 . A A . 1 PHE HD1 1 1
3 229 1 1 1 PHE HD2 H 13.390 2.013 6.953 1.00 . A A . 1 PHE HD2 1 1
3 230 1 1 1 PHE HE1 H 13.819 6.708 8.493 1.00 . A A . 1 PHE HE1 1 1
3 231 1 1 1 PHE HE2 H 15.114 2.614 8.631 1.00 . A A . 1 PHE HE2 1 1
3 232 1 1 1 PHE HZ H 15.330 4.962 9.401 1.00 . A A . 1 PHE HZ 1 1
3 233 1 1 1 PHE N N 9.456 2.448 5.428 1.00 . A A . 1 PHE N 1 1
3 234 1 1 1 PHE O O 10.284 4.915 7.826 1.00 . A A . 1 PHE O 1 1
3 235 1 1 2 DHA C C 6.584 5.124 7.830 1.00 . A A . 2 DHA C 1 1
3 236 1 1 2 DHA CA C 7.705 4.487 8.523 1.00 . A A . 2 DHA CA 1 1
3 237 1 1 2 DHA CB C 7.909 4.773 9.803 1.00 . A A . 2 DHA CB 1 1
3 238 1 1 2 DHA H H 7.952 2.859 7.331 1.00 . A A . 2 DHA H 1 1
3 239 1 1 2 DHA HB1 H 8.713 4.333 10.318 1.00 . A A . 2 DHA HB1 1 1
3 240 1 1 2 DHA HB2 H 7.250 5.453 10.324 1.00 . A A . 2 DHA HB2 1 1
3 241 1 1 2 DHA N N 8.421 3.646 7.680 1.00 . A A . 2 DHA N 1 1
3 242 1 1 2 DHA O O 5.644 4.487 7.354 1.00 . A A . 2 DHA O 1 1
3 243 1 1 3 DAL C C 5.681 7.095 5.642 1.00 . A A . 3 DAL C 1 1
3 244 1 1 3 DAL CA C 5.567 7.169 7.166 1.00 . A A . 3 DAL CA 1 1
3 245 1 1 3 DAL CB C 4.261 6.562 7.664 1.00 . A A . 3 DAL CB 1 1
3 246 1 1 3 DAL H H 7.387 6.957 8.194 1.00 . A A . 3 DAL H 1 1
3 247 1 1 3 DAL HA H 5.608 8.193 7.471 1.00 . A A . 3 DAL HA 1 1
3 248 1 1 3 DAL HB1 H 4.441 6.058 8.602 1.00 . A A . 3 DAL HB1 1 1
3 249 1 1 3 DAL HB2 H 3.906 5.850 6.949 1.00 . A A . 3 DAL HB2 1 1
3 250 1 1 3 DAL N N 6.647 6.455 7.790 1.00 . A A . 3 DAL N 1 1
3 251 1 1 3 DAL O O 5.068 7.884 4.925 1.00 . A A . 3 DAL O 1 1
3 252 1 1 4 LEU C C 5.795 5.010 3.063 1.00 . A A . 4 LEU C 1 1
3 253 1 1 4 LEU CA C 6.726 6.037 3.713 1.00 . A A . 4 LEU CA 1 1
3 254 1 1 4 LEU CB C 8.179 5.637 3.448 1.00 . A A . 4 LEU CB 1 1
3 255 1 1 4 LEU CD1 C 9.498 6.945 1.774 1.00 . A A . 4 LEU CD1 1 1
3 256 1 1 4 LEU CD2 C 9.093 4.508 1.412 1.00 . A A . 4 LEU CD2 1 1
3 257 1 1 4 LEU CG C 8.493 5.806 1.959 1.00 . A A . 4 LEU CG 1 1
3 258 1 1 4 LEU H H 7.003 5.594 5.776 1.00 . A A . 4 LEU H 1 1
3 259 1 1 4 LEU HA H 6.549 6.995 3.251 1.00 . A A . 4 LEU HA 1 1
3 260 1 1 4 LEU HB2 H 8.837 6.264 4.031 1.00 . A A . 4 LEU HB2 1 1
3 261 1 1 4 LEU HB3 H 8.323 4.604 3.728 1.00 . A A . 4 LEU HB3 1 1
3 262 1 1 4 LEU HD11 H 9.458 7.299 0.755 1.00 . A A . 4 LEU HD11 1 1
3 263 1 1 4 LEU HD12 H 10.493 6.586 1.993 1.00 . A A . 4 LEU HD12 1 1
3 264 1 1 4 LEU HD13 H 9.252 7.754 2.446 1.00 . A A . 4 LEU HD13 1 1
3 265 1 1 4 LEU HD21 H 9.924 4.206 2.033 1.00 . A A . 4 LEU HD21 1 1
3 266 1 1 4 LEU HD22 H 9.439 4.669 0.402 1.00 . A A . 4 LEU HD22 1 1
3 267 1 1 4 LEU HD23 H 8.341 3.733 1.416 1.00 . A A . 4 LEU HD23 1 1
3 268 1 1 4 LEU HG H 7.584 6.038 1.422 1.00 . A A . 4 LEU HG 1 1
3 269 1 1 4 LEU N N 6.508 6.171 5.155 1.00 . A A . 4 LEU N 1 1
3 270 1 1 4 LEU O O 5.689 4.963 1.838 1.00 . A A . 4 LEU O 1 1
3 271 1 1 5 DHA C C 3.114 2.964 4.139 1.00 . A A . 5 DHA C 1 1
3 272 1 1 5 DHA CA C 4.256 3.233 3.296 1.00 . A A . 5 DHA CA 1 1
3 273 1 1 5 DHA CB C 4.339 2.624 2.141 1.00 . A A . 5 DHA CB 1 1
3 274 1 1 5 DHA H H 5.173 4.193 4.843 1.00 . A A . 5 DHA H 1 1
3 275 1 1 5 DHA HB1 H 5.147 2.822 1.521 1.00 . A A . 5 DHA HB1 1 1
3 276 1 1 5 DHA HB2 H 3.584 1.913 1.839 1.00 . A A . 5 DHA HB2 1 1
3 277 1 1 5 DHA N N 5.111 4.176 3.866 1.00 . A A . 5 DHA N 1 1
3 278 1 1 5 DHA O O 3.066 1.994 4.877 1.00 . A A . 5 DHA O 1 1
3 279 1 1 6 LEU C C 0.398 5.103 5.141 1.00 . A A . 6 LEU C 1 1
3 280 1 1 6 LEU CA C 0.890 3.726 4.734 1.00 . A A . 6 LEU CA 1 1
3 281 1 1 6 LEU CB C 1.097 2.876 5.988 1.00 . A A . 6 LEU CB 1 1
3 282 1 1 6 LEU CD1 C 1.766 4.094 8.069 1.00 . A A . 6 LEU CD1 1 1
3 283 1 1 6 LEU CD2 C 3.246 2.270 7.218 1.00 . A A . 6 LEU CD2 1 1
3 284 1 1 6 LEU CG C 2.291 3.407 6.807 1.00 . A A . 6 LEU CG 1 1
3 285 1 1 6 LEU H H 2.233 4.584 3.338 1.00 . A A . 6 LEU H 1 1
3 286 1 1 6 LEU HA H 0.157 3.257 4.106 1.00 . A A . 6 LEU HA 1 1
3 287 1 1 6 LEU HB2 H 0.204 2.926 6.593 1.00 . A A . 6 LEU HB2 1 1
3 288 1 1 6 LEU HB3 H 1.273 1.861 5.690 1.00 . A A . 6 LEU HB3 1 1
3 289 1 1 6 LEU HD11 H 1.136 3.408 8.616 1.00 . A A . 6 LEU HD11 1 1
3 290 1 1 6 LEU HD12 H 1.193 4.967 7.794 1.00 . A A . 6 LEU HD12 1 1
3 291 1 1 6 LEU HD13 H 2.598 4.391 8.691 1.00 . A A . 6 LEU HD13 1 1
3 292 1 1 6 LEU HD21 H 3.422 2.316 8.280 1.00 . A A . 6 LEU HD21 1 1
3 293 1 1 6 LEU HD22 H 4.187 2.388 6.697 1.00 . A A . 6 LEU HD22 1 1
3 294 1 1 6 LEU HD23 H 2.817 1.312 6.967 1.00 . A A . 6 LEU HD23 1 1
3 295 1 1 6 LEU HG H 2.833 4.125 6.217 1.00 . A A . 6 LEU HG 1 1
3 296 1 1 6 LEU N N 2.133 3.849 3.983 1.00 . A A . 6 LEU N 1 1
3 297 1 1 6 LEU O O -0.758 5.468 4.928 1.00 . A A . 6 LEU O 1 1
3 298 1 1 7 CYS C C 0.112 7.931 5.225 1.00 . A A . 7 CYS C 1 1
3 299 1 1 7 CYS CA C 1.055 7.202 6.172 1.00 . A A . 7 CYS CA 1 1
3 300 1 1 7 CYS CB C 2.400 7.906 6.230 1.00 . A A . 7 CYS CB 1 1
3 301 1 1 7 CYS H H 2.206 5.485 5.839 1.00 . A A . 7 CYS H 1 1
3 302 1 1 7 CYS HA H 0.627 7.179 7.154 1.00 . A A . 7 CYS HA 1 1
3 303 1 1 7 CYS HB2 H 3.082 7.371 5.587 1.00 . A A . 7 CYS HB2 1 1
3 304 1 1 7 CYS HB3 H 2.308 8.927 5.897 1.00 . A A . 7 CYS HB3 1 1
3 305 1 1 7 CYS N N 1.312 5.852 5.720 1.00 . A A . 7 CYS N 1 1
3 306 1 1 7 CYS O O -0.832 8.594 5.654 1.00 . A A . 7 CYS O 1 1
3 307 1 1 7 CYS SG S 3.032 7.868 7.918 1.00 . A A . 7 CYS SG 1 1
3 308 1 1 8 ALA C C -0.517 7.587 1.666 1.00 . A A . 8 ALA C 1 1
3 309 1 1 8 ALA CA C -0.445 8.445 2.924 1.00 . A A . 8 ALA CA 1 1
3 310 1 1 8 ALA CB C 0.138 9.815 2.578 1.00 . A A . 8 ALA CB 1 1
3 311 1 1 8 ALA H H 1.146 7.257 3.665 1.00 . A A . 8 ALA H 1 1
3 312 1 1 8 ALA HA H -1.441 8.580 3.316 1.00 . A A . 8 ALA HA 1 1
3 313 1 1 8 ALA HB1 H -0.608 10.405 2.066 1.00 . A A . 8 ALA HB1 1 1
3 314 1 1 8 ALA HB2 H 0.999 9.689 1.937 1.00 . A A . 8 ALA HB2 1 1
3 315 1 1 8 ALA HB3 H 0.435 10.321 3.485 1.00 . A A . 8 ALA HB3 1 1
3 316 1 1 8 ALA N N 0.380 7.800 3.938 1.00 . A A . 8 ALA N 1 1
3 317 1 1 8 ALA O O 0.346 7.740 0.819 1.00 . A A . 8 ALA O 1 1
3 318 1 1 8 ALA OXT O -1.433 6.787 1.571 1.00 . A A . 8 ALA OXT 1 1
4 319 1 1 1 PHE C C 9.149 2.570 7.729 1.00 . A A . 1 PHE C 1 1
4 320 1 1 1 PHE CA C 10.060 1.918 6.695 1.00 . A A . 1 PHE CA 1 1
4 321 1 1 1 PHE CB C 10.630 0.612 7.253 1.00 . A A . 1 PHE CB 1 1
4 322 1 1 1 PHE CD1 C 12.774 1.490 8.243 1.00 . A A . 1 PHE CD1 1 1
4 323 1 1 1 PHE CD2 C 11.071 0.622 9.735 1.00 . A A . 1 PHE CD2 1 1
4 324 1 1 1 PHE CE1 C 13.594 1.771 9.343 1.00 . A A . 1 PHE CE1 1 1
4 325 1 1 1 PHE CE2 C 11.890 0.904 10.834 1.00 . A A . 1 PHE CE2 1 1
4 326 1 1 1 PHE CG C 11.513 0.914 8.439 1.00 . A A . 1 PHE CG 1 1
4 327 1 1 1 PHE CZ C 13.151 1.479 10.638 1.00 . A A . 1 PHE CZ 1 1
4 328 1 1 1 PHE H1 H 11.952 2.313 5.920 1.00 . A A . 1 PHE H1 1 1
4 329 1 1 1 PHE H2 H 11.528 3.290 7.243 1.00 . A A . 1 PHE H2 1 1
4 330 1 1 1 PHE H3 H 10.844 3.581 5.717 1.00 . A A . 1 PHE H3 1 1
4 331 1 1 1 PHE HA H 9.496 1.710 5.798 1.00 . A A . 1 PHE HA 1 1
4 332 1 1 1 PHE HB2 H 9.818 -0.031 7.561 1.00 . A A . 1 PHE HB2 1 1
4 333 1 1 1 PHE HB3 H 11.212 0.117 6.489 1.00 . A A . 1 PHE HB3 1 1
4 334 1 1 1 PHE HD1 H 13.115 1.716 7.244 1.00 . A A . 1 PHE HD1 1 1
4 335 1 1 1 PHE HD2 H 10.097 0.178 9.886 1.00 . A A . 1 PHE HD2 1 1
4 336 1 1 1 PHE HE1 H 14.566 2.215 9.192 1.00 . A A . 1 PHE HE1 1 1
4 337 1 1 1 PHE HE2 H 11.549 0.678 11.834 1.00 . A A . 1 PHE HE2 1 1
4 338 1 1 1 PHE HZ H 13.783 1.697 11.487 1.00 . A A . 1 PHE HZ 1 1
4 339 1 1 1 PHE N N 11.181 2.845 6.369 1.00 . A A . 1 PHE N 1 1
4 340 1 1 1 PHE O O 8.857 1.985 8.772 1.00 . A A . 1 PHE O 1 1
4 341 1 1 2 DHA C C 6.728 5.097 7.652 1.00 . A A . 2 DHA C 1 1
4 342 1 1 2 DHA CA C 7.857 4.460 8.332 1.00 . A A . 2 DHA CA 1 1
4 343 1 1 2 DHA CB C 7.962 4.586 9.652 1.00 . A A . 2 DHA CB 1 1
4 344 1 1 2 DHA H H 8.921 4.275 6.611 1.00 . A A . 2 DHA H 1 1
4 345 1 1 2 DHA HB1 H 8.773 4.145 10.159 1.00 . A A . 2 DHA HB1 1 1
4 346 1 1 2 DHA HB2 H 7.218 5.134 10.211 1.00 . A A . 2 DHA HB2 1 1
4 347 1 1 2 DHA N N 8.693 3.802 7.438 1.00 . A A . 2 DHA N 1 1
4 348 1 1 2 DHA O O 5.876 4.462 7.029 1.00 . A A . 2 DHA O 1 1
4 349 1 1 3 DAL C C 5.686 7.106 5.674 1.00 . A A . 3 DAL C 1 1
4 350 1 1 3 DAL CA C 5.588 7.142 7.200 1.00 . A A . 3 DAL CA 1 1
4 351 1 1 3 DAL CB C 4.284 6.519 7.693 1.00 . A A . 3 DAL CB 1 1
4 352 1 1 3 DAL H H 7.351 6.914 8.315 1.00 . A A . 3 DAL H 1 1
4 353 1 1 3 DAL HA H 5.629 8.157 7.529 1.00 . A A . 3 DAL HA 1 1
4 354 1 1 3 DAL HB1 H 4.466 6.016 8.633 1.00 . A A . 3 DAL HB1 1 1
4 355 1 1 3 DAL HB2 H 3.939 5.804 6.975 1.00 . A A . 3 DAL HB2 1 1
4 356 1 1 3 DAL N N 6.679 6.423 7.797 1.00 . A A . 3 DAL N 1 1
4 357 1 1 3 DAL O O 5.087 7.929 4.982 1.00 . A A . 3 DAL O 1 1
4 358 1 1 4 LEU C C 5.750 5.044 3.062 1.00 . A A . 4 LEU C 1 1
4 359 1 1 4 LEU CA C 6.681 6.078 3.706 1.00 . A A . 4 LEU CA 1 1
4 360 1 1 4 LEU CB C 8.148 5.715 3.421 1.00 . A A . 4 LEU CB 1 1
4 361 1 1 4 LEU CD1 C 7.988 4.475 1.232 1.00 . A A . 4 LEU CD1 1 1
4 362 1 1 4 LEU CD2 C 7.783 6.969 1.256 1.00 . A A . 4 LEU CD2 1 1
4 363 1 1 4 LEU CG C 8.463 5.763 1.912 1.00 . A A . 4 LEU CG 1 1
4 364 1 1 4 LEU H H 6.974 5.573 5.753 1.00 . A A . 4 LEU H 1 1
4 365 1 1 4 LEU HA H 6.471 7.040 3.276 1.00 . A A . 4 LEU HA 1 1
4 366 1 1 4 LEU HB2 H 8.790 6.414 3.936 1.00 . A A . 4 LEU HB2 1 1
4 367 1 1 4 LEU HB3 H 8.343 4.719 3.791 1.00 . A A . 4 LEU HB3 1 1
4 368 1 1 4 LEU HD11 H 7.531 3.825 1.963 1.00 . A A . 4 LEU HD11 1 1
4 369 1 1 4 LEU HD12 H 8.834 3.973 0.787 1.00 . A A . 4 LEU HD12 1 1
4 370 1 1 4 LEU HD13 H 7.270 4.716 0.463 1.00 . A A . 4 LEU HD13 1 1
4 371 1 1 4 LEU HD21 H 7.920 7.843 1.875 1.00 . A A . 4 LEU HD21 1 1
4 372 1 1 4 LEU HD22 H 6.728 6.771 1.136 1.00 . A A . 4 LEU HD22 1 1
4 373 1 1 4 LEU HD23 H 8.226 7.144 0.287 1.00 . A A . 4 LEU HD23 1 1
4 374 1 1 4 LEU HG H 9.533 5.848 1.785 1.00 . A A . 4 LEU HG 1 1
4 375 1 1 4 LEU N N 6.484 6.177 5.153 1.00 . A A . 4 LEU N 1 1
4 376 1 1 4 LEU O O 5.598 5.023 1.841 1.00 . A A . 4 LEU O 1 1
4 377 1 1 5 DHA C C 3.117 2.965 4.162 1.00 . A A . 5 DHA C 1 1
4 378 1 1 5 DHA CA C 4.253 3.227 3.310 1.00 . A A . 5 DHA CA 1 1
4 379 1 1 5 DHA CB C 4.331 2.605 2.161 1.00 . A A . 5 DHA CB 1 1
4 380 1 1 5 DHA H H 5.203 4.175 4.841 1.00 . A A . 5 DHA H 1 1
4 381 1 1 5 DHA HB1 H 5.136 2.798 1.535 1.00 . A A . 5 DHA HB1 1 1
4 382 1 1 5 DHA HB2 H 3.575 1.891 1.869 1.00 . A A . 5 DHA HB2 1 1
4 383 1 1 5 DHA N N 5.109 4.176 3.868 1.00 . A A . 5 DHA N 1 1
4 384 1 1 5 DHA O O 3.092 2.020 4.932 1.00 . A A . 5 DHA O 1 1
4 385 1 1 6 LEU C C 0.399 5.091 5.152 1.00 . A A . 6 LEU C 1 1
4 386 1 1 6 LEU CA C 0.882 3.709 4.745 1.00 . A A . 6 LEU CA 1 1
4 387 1 1 6 LEU CB C 1.094 2.865 6.003 1.00 . A A . 6 LEU CB 1 1
4 388 1 1 6 LEU CD1 C 1.736 4.125 8.068 1.00 . A A . 6 LEU CD1 1 1
4 389 1 1 6 LEU CD2 C 3.235 2.294 7.265 1.00 . A A . 6 LEU CD2 1 1
4 390 1 1 6 LEU CG C 2.276 3.419 6.824 1.00 . A A . 6 LEU CG 1 1
4 391 1 1 6 LEU H H 2.203 4.543 3.314 1.00 . A A . 6 LEU H 1 1
4 392 1 1 6 LEU HA H 0.142 3.241 4.125 1.00 . A A . 6 LEU HA 1 1
4 393 1 1 6 LEU HB2 H 0.198 2.904 6.604 1.00 . A A . 6 LEU HB2 1 1
4 394 1 1 6 LEU HB3 H 1.287 1.853 5.709 1.00 . A A . 6 LEU HB3 1 1
4 395 1 1 6 LEU HD11 H 1.037 3.477 8.575 1.00 . A A . 6 LEU HD11 1 1
4 396 1 1 6 LEU HD12 H 1.235 5.036 7.776 1.00 . A A . 6 LEU HD12 1 1
4 397 1 1 6 LEU HD13 H 2.555 4.362 8.732 1.00 . A A . 6 LEU HD13 1 1
4 398 1 1 6 LEU HD21 H 2.824 1.331 7.010 1.00 . A A . 6 LEU HD21 1 1
4 399 1 1 6 LEU HD22 H 3.385 2.348 8.330 1.00 . A A . 6 LEU HD22 1 1
4 400 1 1 6 LEU HD23 H 4.187 2.421 6.765 1.00 . A A . 6 LEU HD23 1 1
4 401 1 1 6 LEU HG H 2.819 4.130 6.227 1.00 . A A . 6 LEU HG 1 1
4 402 1 1 6 LEU N N 2.120 3.827 3.983 1.00 . A A . 6 LEU N 1 1
4 403 1 1 6 LEU O O -0.767 5.445 4.987 1.00 . A A . 6 LEU O 1 1
4 404 1 1 7 CYS C C 0.209 7.970 5.138 1.00 . A A . 7 CYS C 1 1
4 405 1 1 7 CYS CA C 1.092 7.210 6.121 1.00 . A A . 7 CYS CA 1 1
4 406 1 1 7 CYS CB C 2.450 7.879 6.236 1.00 . A A . 7 CYS CB 1 1
4 407 1 1 7 CYS H H 2.236 5.494 5.763 1.00 . A A . 7 CYS H 1 1
4 408 1 1 7 CYS HA H 0.619 7.194 7.085 1.00 . A A . 7 CYS HA 1 1
4 409 1 1 7 CYS HB2 H 3.137 7.333 5.610 1.00 . A A . 7 CYS HB2 1 1
4 410 1 1 7 CYS HB3 H 2.393 8.906 5.911 1.00 . A A . 7 CYS HB3 1 1
4 411 1 1 7 CYS N N 1.334 5.855 5.676 1.00 . A A . 7 CYS N 1 1
4 412 1 1 7 CYS O O -0.231 9.085 5.419 1.00 . A A . 7 CYS O 1 1
4 413 1 1 7 CYS SG S 3.032 7.807 7.941 1.00 . A A . 7 CYS SG 1 1
4 414 1 1 8 ALA C C -1.854 8.968 3.597 1.00 . A A . 8 ALA C 1 1
4 415 1 1 8 ALA CA C -0.882 7.973 2.971 1.00 . A A . 8 ALA CA 1 1
4 416 1 1 8 ALA CB C -1.666 6.888 2.239 1.00 . A A . 8 ALA CB 1 1
4 417 1 1 8 ALA H H 0.329 6.469 3.826 1.00 . A A . 8 ALA H 1 1
4 418 1 1 8 ALA HA H -0.253 8.489 2.262 1.00 . A A . 8 ALA HA 1 1
4 419 1 1 8 ALA HB1 H -1.886 7.218 1.236 1.00 . A A . 8 ALA HB1 1 1
4 420 1 1 8 ALA HB2 H -2.588 6.694 2.768 1.00 . A A . 8 ALA HB2 1 1
4 421 1 1 8 ALA HB3 H -1.075 5.984 2.202 1.00 . A A . 8 ALA HB3 1 1
4 422 1 1 8 ALA N N -0.048 7.356 3.991 1.00 . A A . 8 ALA N 1 1
4 423 1 1 8 ALA O O -2.990 8.589 3.831 1.00 . A A . 8 ALA O 1 1
4 424 1 1 8 ALA OXT O -1.448 10.095 3.832 1.00 . A A . 8 ALA OXT 1 1
5 425 1 1 1 PHE C C 9.081 2.484 7.880 1.00 . A A . 1 PHE C 1 1
5 426 1 1 1 PHE CA C 9.846 1.693 6.824 1.00 . A A . 1 PHE CA 1 1
5 427 1 1 1 PHE CB C 8.905 1.298 5.685 1.00 . A A . 1 PHE CB 1 1
5 428 1 1 1 PHE CD1 C 10.638 1.379 3.857 1.00 . A A . 1 PHE CD1 1 1
5 429 1 1 1 PHE CD2 C 9.493 -0.716 4.288 1.00 . A A . 1 PHE CD2 1 1
5 430 1 1 1 PHE CE1 C 11.372 0.766 2.834 1.00 . A A . 1 PHE CE1 1 1
5 431 1 1 1 PHE CE2 C 10.229 -1.328 3.266 1.00 . A A . 1 PHE CE2 1 1
5 432 1 1 1 PHE CG C 9.698 0.637 4.583 1.00 . A A . 1 PHE CG 1 1
5 433 1 1 1 PHE CZ C 11.169 -0.587 2.538 1.00 . A A . 1 PHE CZ 1 1
5 434 1 1 1 PHE H1 H 11.431 0.603 7.621 1.00 . A A . 1 PHE H1 1 1
5 435 1 1 1 PHE H2 H 10.282 -0.342 6.800 1.00 . A A . 1 PHE H2 1 1
5 436 1 1 1 PHE H3 H 9.934 0.274 8.345 1.00 . A A . 1 PHE H3 1 1
5 437 1 1 1 PHE HA H 10.648 2.302 6.433 1.00 . A A . 1 PHE HA 1 1
5 438 1 1 1 PHE HB2 H 8.161 0.607 6.056 1.00 . A A . 1 PHE HB2 1 1
5 439 1 1 1 PHE HB3 H 8.417 2.179 5.297 1.00 . A A . 1 PHE HB3 1 1
5 440 1 1 1 PHE HD1 H 10.796 2.422 4.085 1.00 . A A . 1 PHE HD1 1 1
5 441 1 1 1 PHE HD2 H 8.768 -1.287 4.848 1.00 . A A . 1 PHE HD2 1 1
5 442 1 1 1 PHE HE1 H 12.098 1.339 2.274 1.00 . A A . 1 PHE HE1 1 1
5 443 1 1 1 PHE HE2 H 10.071 -2.372 3.037 1.00 . A A . 1 PHE HE2 1 1
5 444 1 1 1 PHE HZ H 11.736 -1.058 1.751 1.00 . A A . 1 PHE HZ 1 1
5 445 1 1 1 PHE N N 10.416 0.465 7.445 1.00 . A A . 1 PHE N 1 1
5 446 1 1 1 PHE O O 8.983 2.066 9.033 1.00 . A A . 1 PHE O 1 1
5 447 1 1 2 DHA C C 6.671 5.075 7.750 1.00 . A A . 2 DHA C 1 1
5 448 1 1 2 DHA CA C 7.817 4.420 8.387 1.00 . A A . 2 DHA CA 1 1
5 449 1 1 2 DHA CB C 8.044 4.637 9.677 1.00 . A A . 2 DHA CB 1 1
5 450 1 1 2 DHA H H 8.603 3.983 6.565 1.00 . A A . 2 DHA H 1 1
5 451 1 1 2 DHA HB1 H 8.869 4.183 10.150 1.00 . A A . 2 DHA HB1 1 1
5 452 1 1 2 DHA HB2 H 7.384 5.272 10.251 1.00 . A A . 2 DHA HB2 1 1
5 453 1 1 2 DHA N N 8.530 3.645 7.481 1.00 . A A . 2 DHA N 1 1
5 454 1 1 2 DHA O O 5.741 4.447 7.244 1.00 . A A . 2 DHA O 1 1
5 455 1 1 3 DAL C C 5.689 7.117 5.693 1.00 . A A . 3 DAL C 1 1
5 456 1 1 3 DAL CA C 5.608 7.139 7.222 1.00 . A A . 3 DAL CA 1 1
5 457 1 1 3 DAL CB C 4.308 6.514 7.729 1.00 . A A . 3 DAL CB 1 1
5 458 1 1 3 DAL H H 7.443 6.896 8.215 1.00 . A A . 3 DAL H 1 1
5 459 1 1 3 DAL HA H 5.661 8.151 7.561 1.00 . A A . 3 DAL HA 1 1
5 460 1 1 3 DAL HB1 H 4.496 6.037 8.680 1.00 . A A . 3 DAL HB1 1 1
5 461 1 1 3 DAL HB2 H 3.973 5.776 7.030 1.00 . A A . 3 DAL HB2 1 1
5 462 1 1 3 DAL N N 6.706 6.407 7.792 1.00 . A A . 3 DAL N 1 1
5 463 1 1 3 DAL O O 5.088 7.950 5.015 1.00 . A A . 3 DAL O 1 1
5 464 1 1 4 LEU C C 5.739 5.049 3.061 1.00 . A A . 4 LEU C 1 1
5 465 1 1 4 LEU CA C 6.656 6.095 3.706 1.00 . A A . 4 LEU CA 1 1
5 466 1 1 4 LEU CB C 8.113 5.755 3.386 1.00 . A A . 4 LEU CB 1 1
5 467 1 1 4 LEU CD1 C 8.494 7.693 1.855 1.00 . A A . 4 LEU CD1 1 1
5 468 1 1 4 LEU CD2 C 8.613 8.012 4.330 1.00 . A A . 4 LEU CD2 1 1
5 469 1 1 4 LEU CG C 8.905 7.047 3.179 1.00 . A A . 4 LEU CG 1 1
5 470 1 1 4 LEU H H 6.968 5.574 5.746 1.00 . A A . 4 LEU H 1 1
5 471 1 1 4 LEU HA H 6.428 7.056 3.273 1.00 . A A . 4 LEU HA 1 1
5 472 1 1 4 LEU HB2 H 8.540 5.197 4.207 1.00 . A A . 4 LEU HB2 1 1
5 473 1 1 4 LEU HB3 H 8.154 5.161 2.486 1.00 . A A . 4 LEU HB3 1 1
5 474 1 1 4 LEU HD11 H 7.684 8.386 2.030 1.00 . A A . 4 LEU HD11 1 1
5 475 1 1 4 LEU HD12 H 8.169 6.927 1.166 1.00 . A A . 4 LEU HD12 1 1
5 476 1 1 4 LEU HD13 H 9.336 8.222 1.436 1.00 . A A . 4 LEU HD13 1 1
5 477 1 1 4 LEU HD21 H 9.469 8.650 4.492 1.00 . A A . 4 LEU HD21 1 1
5 478 1 1 4 LEU HD22 H 8.409 7.449 5.230 1.00 . A A . 4 LEU HD22 1 1
5 479 1 1 4 LEU HD23 H 7.753 8.617 4.082 1.00 . A A . 4 LEU HD23 1 1
5 480 1 1 4 LEU HG H 9.962 6.820 3.156 1.00 . A A . 4 LEU HG 1 1
5 481 1 1 4 LEU N N 6.476 6.185 5.157 1.00 . A A . 4 LEU N 1 1
5 482 1 1 4 LEU O O 5.608 5.012 1.837 1.00 . A A . 4 LEU O 1 1
5 483 1 1 5 DHA C C 3.116 2.969 4.175 1.00 . A A . 5 DHA C 1 1
5 484 1 1 5 DHA CA C 4.247 3.232 3.317 1.00 . A A . 5 DHA CA 1 1
5 485 1 1 5 DHA CB C 4.331 2.600 2.175 1.00 . A A . 5 DHA CB 1 1
5 486 1 1 5 DHA H H 5.173 4.203 4.845 1.00 . A A . 5 DHA H 1 1
5 487 1 1 5 DHA HB1 H 5.134 2.795 1.548 1.00 . A A . 5 DHA HB1 1 1
5 488 1 1 5 DHA HB2 H 3.581 1.878 1.889 1.00 . A A . 5 DHA HB2 1 1
5 489 1 1 5 DHA N N 5.092 4.191 3.870 1.00 . A A . 5 DHA N 1 1
5 490 1 1 5 DHA O O 3.111 2.045 4.967 1.00 . A A . 5 DHA O 1 1
5 491 1 1 6 LEU C C 0.390 5.069 5.174 1.00 . A A . 6 LEU C 1 1
5 492 1 1 6 LEU CA C 0.867 3.691 4.746 1.00 . A A . 6 LEU CA 1 1
5 493 1 1 6 LEU CB C 1.084 2.840 5.999 1.00 . A A . 6 LEU CB 1 1
5 494 1 1 6 LEU CD1 C 1.672 4.125 8.065 1.00 . A A . 6 LEU CD1 1 1
5 495 1 1 6 LEU CD2 C 3.218 2.320 7.294 1.00 . A A . 6 LEU CD2 1 1
5 496 1 1 6 LEU CG C 2.245 3.422 6.833 1.00 . A A . 6 LEU CG 1 1
5 497 1 1 6 LEU H H 2.173 4.511 3.289 1.00 . A A . 6 LEU H 1 1
5 498 1 1 6 LEU HA H 0.121 3.228 4.128 1.00 . A A . 6 LEU HA 1 1
5 499 1 1 6 LEU HB2 H 0.182 2.857 6.591 1.00 . A A . 6 LEU HB2 1 1
5 500 1 1 6 LEU HB3 H 1.304 1.835 5.703 1.00 . A A . 6 LEU HB3 1 1
5 501 1 1 6 LEU HD11 H 0.750 4.623 7.799 1.00 . A A . 6 LEU HD11 1 1
5 502 1 1 6 LEU HD12 H 2.383 4.852 8.428 1.00 . A A . 6 LEU HD12 1 1
5 503 1 1 6 LEU HD13 H 1.477 3.396 8.837 1.00 . A A . 6 LEU HD13 1 1
5 504 1 1 6 LEU HD21 H 4.176 2.466 6.809 1.00 . A A . 6 LEU HD21 1 1
5 505 1 1 6 LEU HD22 H 2.832 1.346 7.035 1.00 . A A . 6 LEU HD22 1 1
5 506 1 1 6 LEU HD23 H 3.350 2.380 8.361 1.00 . A A . 6 LEU HD23 1 1
5 507 1 1 6 LEU HG H 2.781 4.142 6.239 1.00 . A A . 6 LEU HG 1 1
5 508 1 1 6 LEU N N 2.102 3.810 3.976 1.00 . A A . 6 LEU N 1 1
5 509 1 1 6 LEU O O -0.793 5.400 5.090 1.00 . A A . 6 LEU O 1 1
5 510 1 1 7 CYS C C 0.260 8.015 5.121 1.00 . A A . 7 CYS C 1 1
5 511 1 1 7 CYS CA C 1.117 7.210 6.091 1.00 . A A . 7 CYS CA 1 1
5 512 1 1 7 CYS CB C 2.488 7.850 6.229 1.00 . A A . 7 CYS CB 1 1
5 513 1 1 7 CYS H H 2.255 5.506 5.662 1.00 . A A . 7 CYS H 1 1
5 514 1 1 7 CYS HA H 0.638 7.187 7.049 1.00 . A A . 7 CYS HA 1 1
5 515 1 1 7 CYS HB2 H 3.174 7.278 5.625 1.00 . A A . 7 CYS HB2 1 1
5 516 1 1 7 CYS HB3 H 2.461 8.872 5.887 1.00 . A A . 7 CYS HB3 1 1
5 517 1 1 7 CYS N N 1.345 5.853 5.630 1.00 . A A . 7 CYS N 1 1
5 518 1 1 7 CYS O O 0.055 9.213 5.312 1.00 . A A . 7 CYS O 1 1
5 519 1 1 7 CYS SG S 3.037 7.791 7.946 1.00 . A A . 7 CYS SG 1 1
5 520 1 1 8 ALA C C -2.264 8.705 3.767 1.00 . A A . 8 ALA C 1 1
5 521 1 1 8 ALA CA C -1.075 8.014 3.101 1.00 . A A . 8 ALA CA 1 1
5 522 1 1 8 ALA CB C -1.581 6.974 2.111 1.00 . A A . 8 ALA CB 1 1
5 523 1 1 8 ALA H H -0.043 6.405 3.986 1.00 . A A . 8 ALA H 1 1
5 524 1 1 8 ALA HA H -0.489 8.748 2.571 1.00 . A A . 8 ALA HA 1 1
5 525 1 1 8 ALA HB1 H -1.765 6.047 2.634 1.00 . A A . 8 ALA HB1 1 1
5 526 1 1 8 ALA HB2 H -0.834 6.816 1.348 1.00 . A A . 8 ALA HB2 1 1
5 527 1 1 8 ALA HB3 H -2.495 7.323 1.661 1.00 . A A . 8 ALA HB3 1 1
5 528 1 1 8 ALA N N -0.239 7.356 4.089 1.00 . A A . 8 ALA N 1 1
5 529 1 1 8 ALA O O -2.041 9.470 4.691 1.00 . A A . 8 ALA O 1 1
5 530 1 1 8 ALA OXT O -3.380 8.460 3.340 1.00 . A A . 8 ALA OXT 1 1
6 531 1 1 1 PHE C C 10.131 4.477 7.437 1.00 . A A . 1 PHE C 1 1
6 532 1 1 1 PHE CA C 11.067 3.780 6.458 1.00 . A A . 1 PHE CA 1 1
6 533 1 1 1 PHE CB C 10.451 2.457 5.998 1.00 . A A . 1 PHE CB 1 1
6 534 1 1 1 PHE CD1 C 11.267 1.711 3.733 1.00 . A A . 1 PHE CD1 1 1
6 535 1 1 1 PHE CD2 C 12.518 1.042 5.700 1.00 . A A . 1 PHE CD2 1 1
6 536 1 1 1 PHE CE1 C 12.179 1.027 2.920 1.00 . A A . 1 PHE CE1 1 1
6 537 1 1 1 PHE CE2 C 13.429 0.359 4.887 1.00 . A A . 1 PHE CE2 1 1
6 538 1 1 1 PHE CG C 11.436 1.719 5.122 1.00 . A A . 1 PHE CG 1 1
6 539 1 1 1 PHE CZ C 13.260 0.350 3.498 1.00 . A A . 1 PHE CZ 1 1
6 540 1 1 1 PHE H1 H 12.561 4.254 7.828 1.00 . A A . 1 PHE H1 1 1
6 541 1 1 1 PHE H2 H 13.130 3.503 6.416 1.00 . A A . 1 PHE H2 1 1
6 542 1 1 1 PHE H3 H 12.333 2.589 7.605 1.00 . A A . 1 PHE H3 1 1
6 543 1 1 1 PHE HA H 11.230 4.417 5.601 1.00 . A A . 1 PHE HA 1 1
6 544 1 1 1 PHE HB2 H 10.212 1.853 6.860 1.00 . A A . 1 PHE HB2 1 1
6 545 1 1 1 PHE HB3 H 9.550 2.655 5.436 1.00 . A A . 1 PHE HB3 1 1
6 546 1 1 1 PHE HD1 H 10.434 2.233 3.288 1.00 . A A . 1 PHE HD1 1 1
6 547 1 1 1 PHE HD2 H 12.648 1.049 6.772 1.00 . A A . 1 PHE HD2 1 1
6 548 1 1 1 PHE HE1 H 12.048 1.020 1.849 1.00 . A A . 1 PHE HE1 1 1
6 549 1 1 1 PHE HE2 H 14.264 -0.163 5.333 1.00 . A A . 1 PHE HE2 1 1
6 550 1 1 1 PHE HZ H 13.964 -0.177 2.871 1.00 . A A . 1 PHE HZ 1 1
6 551 1 1 1 PHE N N 12.372 3.510 7.127 1.00 . A A . 1 PHE N 1 1
6 552 1 1 1 PHE O O 10.532 5.401 8.146 1.00 . A A . 1 PHE O 1 1
6 553 1 1 2 DHA C C 6.810 5.195 7.637 1.00 . A A . 2 DHA C 1 1
6 554 1 1 2 DHA CA C 7.951 4.617 8.352 1.00 . A A . 2 DHA CA 1 1
6 555 1 1 2 DHA CB C 7.994 4.727 9.675 1.00 . A A . 2 DHA CB 1 1
6 556 1 1 2 DHA H H 8.535 3.296 6.922 1.00 . A A . 2 DHA H 1 1
6 557 1 1 2 DHA HB1 H 8.808 4.331 10.210 1.00 . A A . 2 DHA HB1 1 1
6 558 1 1 2 DHA HB2 H 7.193 5.216 10.210 1.00 . A A . 2 DHA HB2 1 1
6 559 1 1 2 DHA N N 8.863 4.030 7.481 1.00 . A A . 2 DHA N 1 1
6 560 1 1 2 DHA O O 6.017 4.518 6.983 1.00 . A A . 2 DHA O 1 1
6 561 1 1 3 DAL C C 5.681 7.097 5.638 1.00 . A A . 3 DAL C 1 1
6 562 1 1 3 DAL CA C 5.576 7.178 7.164 1.00 . A A . 3 DAL CA 1 1
6 563 1 1 3 DAL CB C 4.286 6.540 7.675 1.00 . A A . 3 DAL CB 1 1
6 564 1 1 3 DAL H H 7.312 7.033 8.335 1.00 . A A . 3 DAL H 1 1
6 565 1 1 3 DAL HA H 5.590 8.205 7.460 1.00 . A A . 3 DAL HA 1 1
6 566 1 1 3 DAL HB1 H 4.489 6.034 8.608 1.00 . A A . 3 DAL HB1 1 1
6 567 1 1 3 DAL HB2 H 3.935 5.825 6.960 1.00 . A A . 3 DAL HB2 1 1
6 568 1 1 3 DAL N N 6.685 6.512 7.789 1.00 . A A . 3 DAL N 1 1
6 569 1 1 3 DAL O O 5.054 7.875 4.921 1.00 . A A . 3 DAL O 1 1
6 570 1 1 4 LEU C C 5.786 5.009 3.068 1.00 . A A . 4 LEU C 1 1
6 571 1 1 4 LEU CA C 6.721 6.040 3.707 1.00 . A A . 4 LEU CA 1 1
6 572 1 1 4 LEU CB C 8.172 5.642 3.432 1.00 . A A . 4 LEU CB 1 1
6 573 1 1 4 LEU CD1 C 8.540 7.313 1.611 1.00 . A A . 4 LEU CD1 1 1
6 574 1 1 4 LEU CD2 C 8.711 8.012 4.002 1.00 . A A . 4 LEU CD2 1 1
6 575 1 1 4 LEU CG C 8.972 6.875 3.012 1.00 . A A . 4 LEU CG 1 1
6 576 1 1 4 LEU H H 7.020 5.610 5.766 1.00 . A A . 4 LEU H 1 1
6 577 1 1 4 LEU HA H 6.539 6.997 3.242 1.00 . A A . 4 LEU HA 1 1
6 578 1 1 4 LEU HB2 H 8.604 5.220 4.328 1.00 . A A . 4 LEU HB2 1 1
6 579 1 1 4 LEU HB3 H 8.200 4.909 2.639 1.00 . A A . 4 LEU HB3 1 1
6 580 1 1 4 LEU HD11 H 8.088 6.477 1.097 1.00 . A A . 4 LEU HD11 1 1
6 581 1 1 4 LEU HD12 H 9.403 7.651 1.057 1.00 . A A . 4 LEU HD12 1 1
6 582 1 1 4 LEU HD13 H 7.824 8.116 1.689 1.00 . A A . 4 LEU HD13 1 1
6 583 1 1 4 LEU HD21 H 9.646 8.490 4.257 1.00 . A A . 4 LEU HD21 1 1
6 584 1 1 4 LEU HD22 H 8.256 7.614 4.896 1.00 . A A . 4 LEU HD22 1 1
6 585 1 1 4 LEU HD23 H 8.049 8.737 3.552 1.00 . A A . 4 LEU HD23 1 1
6 586 1 1 4 LEU HG H 10.025 6.635 3.004 1.00 . A A . 4 LEU HG 1 1
6 587 1 1 4 LEU N N 6.513 6.179 5.149 1.00 . A A . 4 LEU N 1 1
6 588 1 1 4 LEU O O 5.664 4.963 1.843 1.00 . A A . 4 LEU O 1 1
6 589 1 1 5 DHA C C 3.109 2.964 4.146 1.00 . A A . 5 DHA C 1 1
6 590 1 1 5 DHA CA C 4.264 3.219 3.314 1.00 . A A . 5 DHA CA 1 1
6 591 1 1 5 DHA CB C 4.357 2.591 2.170 1.00 . A A . 5 DHA CB 1 1
6 592 1 1 5 DHA H H 5.194 4.181 4.854 1.00 . A A . 5 DHA H 1 1
6 593 1 1 5 DHA HB1 H 5.174 2.777 1.557 1.00 . A A . 5 DHA HB1 1 1
6 594 1 1 5 DHA HB2 H 3.603 1.879 1.869 1.00 . A A . 5 DHA HB2 1 1
6 595 1 1 5 DHA N N 5.117 4.167 3.878 1.00 . A A . 5 DHA N 1 1
6 596 1 1 5 DHA O O 3.049 1.999 4.891 1.00 . A A . 5 DHA O 1 1
6 597 1 1 6 LEU C C 0.395 5.115 5.120 1.00 . A A . 6 LEU C 1 1
6 598 1 1 6 LEU CA C 0.880 3.736 4.707 1.00 . A A . 6 LEU CA 1 1
6 599 1 1 6 LEU CB C 1.061 2.877 5.957 1.00 . A A . 6 LEU CB 1 1
6 600 1 1 6 LEU CD1 C 1.700 4.094 8.047 1.00 . A A . 6 LEU CD1 1 1
6 601 1 1 6 LEU CD2 C 3.176 2.248 7.235 1.00 . A A . 6 LEU CD2 1 1
6 602 1 1 6 LEU CG C 2.245 3.398 6.800 1.00 . A A . 6 LEU CG 1 1
6 603 1 1 6 LEU H H 2.241 4.579 3.321 1.00 . A A . 6 LEU H 1 1
6 604 1 1 6 LEU HA H 0.149 3.279 4.067 1.00 . A A . 6 LEU HA 1 1
6 605 1 1 6 LEU HB2 H 0.159 2.928 6.548 1.00 . A A . 6 LEU HB2 1 1
6 606 1 1 6 LEU HB3 H 1.235 1.863 5.656 1.00 . A A . 6 LEU HB3 1 1
6 607 1 1 6 LEU HD11 H 2.521 4.514 8.611 1.00 . A A . 6 LEU HD11 1 1
6 608 1 1 6 LEU HD12 H 1.173 3.377 8.659 1.00 . A A . 6 LEU HD12 1 1
6 609 1 1 6 LEU HD13 H 1.025 4.883 7.753 1.00 . A A . 6 LEU HD13 1 1
6 610 1 1 6 LEU HD21 H 4.134 2.360 6.744 1.00 . A A . 6 LEU HD21 1 1
6 611 1 1 6 LEU HD22 H 2.747 1.297 6.964 1.00 . A A . 6 LEU HD22 1 1
6 612 1 1 6 LEU HD23 H 3.318 2.286 8.302 1.00 . A A . 6 LEU HD23 1 1
6 613 1 1 6 LEU HG H 2.808 4.108 6.221 1.00 . A A . 6 LEU HG 1 1
6 614 1 1 6 LEU N N 2.132 3.851 3.970 1.00 . A A . 6 LEU N 1 1
6 615 1 1 6 LEU O O -0.754 5.495 4.889 1.00 . A A . 6 LEU O 1 1
6 616 1 1 7 CYS C C 0.122 7.941 5.247 1.00 . A A . 7 CYS C 1 1
6 617 1 1 7 CYS CA C 1.055 7.194 6.189 1.00 . A A . 7 CYS CA 1 1
6 618 1 1 7 CYS CB C 2.402 7.889 6.264 1.00 . A A . 7 CYS CB 1 1
6 619 1 1 7 CYS H H 2.191 5.467 5.855 1.00 . A A . 7 CYS H 1 1
6 620 1 1 7 CYS HA H 0.619 7.163 7.170 1.00 . A A . 7 CYS HA 1 1
6 621 1 1 7 CYS HB2 H 3.082 7.362 5.613 1.00 . A A . 7 CYS HB2 1 1
6 622 1 1 7 CYS HB3 H 2.312 8.916 5.948 1.00 . A A . 7 CYS HB3 1 1
6 623 1 1 7 CYS N N 1.305 5.846 5.724 1.00 . A A . 7 CYS N 1 1
6 624 1 1 7 CYS O O -0.510 8.925 5.633 1.00 . A A . 7 CYS O 1 1
6 625 1 1 7 CYS SG S 3.033 7.820 7.953 1.00 . A A . 7 CYS SG 1 1
6 626 1 1 8 ALA C C -1.378 7.068 2.055 1.00 . A A . 8 ALA C 1 1
6 627 1 1 8 ALA CA C -0.815 8.104 3.023 1.00 . A A . 8 ALA CA 1 1
6 628 1 1 8 ALA CB C -0.016 9.155 2.254 1.00 . A A . 8 ALA CB 1 1
6 629 1 1 8 ALA H H 0.571 6.684 3.764 1.00 . A A . 8 ALA H 1 1
6 630 1 1 8 ALA HA H -1.632 8.591 3.530 1.00 . A A . 8 ALA HA 1 1
6 631 1 1 8 ALA HB1 H -0.113 8.977 1.195 1.00 . A A . 8 ALA HB1 1 1
6 632 1 1 8 ALA HB2 H 1.025 9.091 2.537 1.00 . A A . 8 ALA HB2 1 1
6 633 1 1 8 ALA HB3 H -0.394 10.137 2.493 1.00 . A A . 8 ALA HB3 1 1
6 634 1 1 8 ALA N N 0.043 7.470 4.013 1.00 . A A . 8 ALA N 1 1
6 635 1 1 8 ALA O O -0.962 5.924 2.136 1.00 . A A . 8 ALA O 1 1
6 636 1 1 8 ALA OXT O -2.216 7.435 1.249 1.00 . A A . 8 ALA OXT 1 1
7 637 1 1 1 PHE C C 9.555 3.517 7.308 1.00 . A A . 1 PHE C 1 1
7 638 1 1 1 PHE CA C 10.084 2.432 6.375 1.00 . A A . 1 PHE CA 1 1
7 639 1 1 1 PHE CB C 10.981 3.054 5.303 1.00 . A A . 1 PHE CB 1 1
7 640 1 1 1 PHE CD1 C 13.383 2.408 4.895 1.00 . A A . 1 PHE CD1 1 1
7 641 1 1 1 PHE CD2 C 11.646 0.773 4.456 1.00 . A A . 1 PHE CD2 1 1
7 642 1 1 1 PHE CE1 C 14.354 1.483 4.495 1.00 . A A . 1 PHE CE1 1 1
7 643 1 1 1 PHE CE2 C 12.618 -0.152 4.058 1.00 . A A . 1 PHE CE2 1 1
7 644 1 1 1 PHE CG C 12.028 2.054 4.875 1.00 . A A . 1 PHE CG 1 1
7 645 1 1 1 PHE CZ C 13.972 0.203 4.077 1.00 . A A . 1 PHE CZ 1 1
7 646 1 1 1 PHE H1 H 8.139 2.406 5.632 1.00 . A A . 1 PHE H1 1 1
7 647 1 1 1 PHE H2 H 8.647 0.927 6.297 1.00 . A A . 1 PHE H2 1 1
7 648 1 1 1 PHE H3 H 9.220 1.418 4.774 1.00 . A A . 1 PHE H3 1 1
7 649 1 1 1 PHE HA H 10.653 1.715 6.947 1.00 . A A . 1 PHE HA 1 1
7 650 1 1 1 PHE HB2 H 10.379 3.333 4.450 1.00 . A A . 1 PHE HB2 1 1
7 651 1 1 1 PHE HB3 H 11.464 3.932 5.703 1.00 . A A . 1 PHE HB3 1 1
7 652 1 1 1 PHE HD1 H 13.678 3.396 5.218 1.00 . A A . 1 PHE HD1 1 1
7 653 1 1 1 PHE HD2 H 10.601 0.499 4.442 1.00 . A A . 1 PHE HD2 1 1
7 654 1 1 1 PHE HE1 H 15.398 1.755 4.511 1.00 . A A . 1 PHE HE1 1 1
7 655 1 1 1 PHE HE2 H 12.323 -1.140 3.735 1.00 . A A . 1 PHE HE2 1 1
7 656 1 1 1 PHE HZ H 14.722 -0.511 3.769 1.00 . A A . 1 PHE HZ 1 1
7 657 1 1 1 PHE N N 8.936 1.744 5.720 1.00 . A A . 1 PHE N 1 1
7 658 1 1 1 PHE O O 10.291 4.419 7.711 1.00 . A A . 1 PHE O 1 1
7 659 1 1 2 DHA C C 6.563 5.056 7.876 1.00 . A A . 2 DHA C 1 1
7 660 1 1 2 DHA CA C 7.697 4.374 8.507 1.00 . A A . 2 DHA CA 1 1
7 661 1 1 2 DHA CB C 8.045 4.712 9.745 1.00 . A A . 2 DHA CB 1 1
7 662 1 1 2 DHA H H 7.671 2.711 7.341 1.00 . A A . 2 DHA H 1 1
7 663 1 1 2 DHA HB1 H 8.861 4.237 10.206 1.00 . A A . 2 DHA HB1 1 1
7 664 1 1 2 DHA HB2 H 7.497 5.472 10.283 1.00 . A A . 2 DHA HB2 1 1
7 665 1 1 2 DHA N N 8.259 3.428 7.658 1.00 . A A . 2 DHA N 1 1
7 666 1 1 2 DHA O O 5.569 4.451 7.478 1.00 . A A . 2 DHA O 1 1
7 667 1 1 3 DAL C C 5.686 7.114 5.687 1.00 . A A . 3 DAL C 1 1
7 668 1 1 3 DAL CA C 5.601 7.137 7.216 1.00 . A A . 3 DAL CA 1 1
7 669 1 1 3 DAL CB C 4.288 6.540 7.719 1.00 . A A . 3 DAL CB 1 1
7 670 1 1 3 DAL H H 7.474 6.862 8.130 1.00 . A A . 3 DAL H 1 1
7 671 1 1 3 DAL HA H 5.668 8.150 7.553 1.00 . A A . 3 DAL HA 1 1
7 672 1 1 3 DAL HB1 H 4.461 6.062 8.672 1.00 . A A . 3 DAL HB1 1 1
7 673 1 1 3 DAL HB2 H 3.940 5.809 7.021 1.00 . A A . 3 DAL HB2 1 1
7 674 1 1 3 DAL N N 6.685 6.386 7.794 1.00 . A A . 3 DAL N 1 1
7 675 1 1 3 DAL O O 5.087 7.948 5.009 1.00 . A A . 3 DAL O 1 1
7 676 1 1 4 LEU C C 5.752 5.032 3.057 1.00 . A A . 4 LEU C 1 1
7 677 1 1 4 LEU CA C 6.652 6.096 3.700 1.00 . A A . 4 LEU CA 1 1
7 678 1 1 4 LEU CB C 8.114 5.780 3.382 1.00 . A A . 4 LEU CB 1 1
7 679 1 1 4 LEU CD1 C 10.145 6.604 2.181 1.00 . A A . 4 LEU CD1 1 1
7 680 1 1 4 LEU CD2 C 7.970 6.409 0.968 1.00 . A A . 4 LEU CD2 1 1
7 681 1 1 4 LEU CG C 8.627 6.742 2.309 1.00 . A A . 4 LEU CG 1 1
7 682 1 1 4 LEU H H 6.965 5.569 5.736 1.00 . A A . 4 LEU H 1 1
7 683 1 1 4 LEU HA H 6.410 7.055 3.268 1.00 . A A . 4 LEU HA 1 1
7 684 1 1 4 LEU HB2 H 8.709 5.889 4.277 1.00 . A A . 4 LEU HB2 1 1
7 685 1 1 4 LEU HB3 H 8.192 4.767 3.019 1.00 . A A . 4 LEU HB3 1 1
7 686 1 1 4 LEU HD11 H 10.521 6.008 3.000 1.00 . A A . 4 LEU HD11 1 1
7 687 1 1 4 LEU HD12 H 10.599 7.583 2.210 1.00 . A A . 4 LEU HD12 1 1
7 688 1 1 4 LEU HD13 H 10.385 6.123 1.245 1.00 . A A . 4 LEU HD13 1 1
7 689 1 1 4 LEU HD21 H 8.576 6.797 0.163 1.00 . A A . 4 LEU HD21 1 1
7 690 1 1 4 LEU HD22 H 6.988 6.857 0.926 1.00 . A A . 4 LEU HD22 1 1
7 691 1 1 4 LEU HD23 H 7.880 5.337 0.867 1.00 . A A . 4 LEU HD23 1 1
7 692 1 1 4 LEU HG H 8.382 7.757 2.590 1.00 . A A . 4 LEU HG 1 1
7 693 1 1 4 LEU N N 6.473 6.183 5.150 1.00 . A A . 4 LEU N 1 1
7 694 1 1 4 LEU O O 5.648 4.969 1.832 1.00 . A A . 4 LEU O 1 1
7 695 1 1 5 DHA C C 3.114 2.955 4.172 1.00 . A A . 5 DHA C 1 1
7 696 1 1 5 DHA CA C 4.255 3.213 3.324 1.00 . A A . 5 DHA CA 1 1
7 697 1 1 5 DHA CB C 4.357 2.564 2.194 1.00 . A A . 5 DHA CB 1 1
7 698 1 1 5 DHA H H 5.148 4.223 4.846 1.00 . A A . 5 DHA H 1 1
7 699 1 1 5 DHA HB1 H 5.165 2.754 1.573 1.00 . A A . 5 DHA HB1 1 1
7 700 1 1 5 DHA HB2 H 3.616 1.831 1.910 1.00 . A A . 5 DHA HB2 1 1
7 701 1 1 5 DHA N N 5.087 4.189 3.871 1.00 . A A . 5 DHA N 1 1
7 702 1 1 5 DHA O O 3.089 2.021 4.955 1.00 . A A . 5 DHA O 1 1
7 703 1 1 6 LEU C C 0.405 5.099 5.125 1.00 . A A . 6 LEU C 1 1
7 704 1 1 6 LEU CA C 0.878 3.710 4.734 1.00 . A A . 6 LEU CA 1 1
7 705 1 1 6 LEU CB C 1.081 2.875 5.999 1.00 . A A . 6 LEU CB 1 1
7 706 1 1 6 LEU CD1 C 1.716 4.165 8.047 1.00 . A A . 6 LEU CD1 1 1
7 707 1 1 6 LEU CD2 C 3.203 2.304 7.290 1.00 . A A . 6 LEU CD2 1 1
7 708 1 1 6 LEU CG C 2.262 3.430 6.821 1.00 . A A . 6 LEU CG 1 1
7 709 1 1 6 LEU H H 2.205 4.523 3.304 1.00 . A A . 6 LEU H 1 1
7 710 1 1 6 LEU HA H 0.137 3.241 4.114 1.00 . A A . 6 LEU HA 1 1
7 711 1 1 6 LEU HB2 H 0.182 2.921 6.596 1.00 . A A . 6 LEU HB2 1 1
7 712 1 1 6 LEU HB3 H 1.271 1.859 5.714 1.00 . A A . 6 LEU HB3 1 1
7 713 1 1 6 LEU HD11 H 0.975 4.885 7.734 1.00 . A A . 6 LEU HD11 1 1
7 714 1 1 6 LEU HD12 H 2.524 4.675 8.550 1.00 . A A . 6 LEU HD12 1 1
7 715 1 1 6 LEU HD13 H 1.263 3.453 8.722 1.00 . A A . 6 LEU HD13 1 1
7 716 1 1 6 LEU HD21 H 3.336 2.367 8.356 1.00 . A A . 6 LEU HD21 1 1
7 717 1 1 6 LEU HD22 H 4.164 2.418 6.805 1.00 . A A . 6 LEU HD22 1 1
7 718 1 1 6 LEU HD23 H 2.790 1.341 7.033 1.00 . A A . 6 LEU HD23 1 1
7 719 1 1 6 LEU HG H 2.818 4.127 6.220 1.00 . A A . 6 LEU HG 1 1
7 720 1 1 6 LEU N N 2.118 3.815 3.977 1.00 . A A . 6 LEU N 1 1
7 721 1 1 6 LEU O O -0.748 5.476 4.918 1.00 . A A . 6 LEU O 1 1
7 722 1 1 7 CYS C C 0.238 7.959 5.110 1.00 . A A . 7 CYS C 1 1
7 723 1 1 7 CYS CA C 1.108 7.211 6.108 1.00 . A A . 7 CYS CA 1 1
7 724 1 1 7 CYS CB C 2.474 7.871 6.214 1.00 . A A . 7 CYS CB 1 1
7 725 1 1 7 CYS H H 2.229 5.471 5.789 1.00 . A A . 7 CYS H 1 1
7 726 1 1 7 CYS HA H 0.636 7.215 7.070 1.00 . A A . 7 CYS HA 1 1
7 727 1 1 7 CYS HB2 H 3.159 7.302 5.608 1.00 . A A . 7 CYS HB2 1 1
7 728 1 1 7 CYS HB3 H 2.430 8.888 5.860 1.00 . A A . 7 CYS HB3 1 1
7 729 1 1 7 CYS N N 1.338 5.848 5.678 1.00 . A A . 7 CYS N 1 1
7 730 1 1 7 CYS O O -0.664 8.707 5.487 1.00 . A A . 7 CYS O 1 1
7 731 1 1 7 CYS SG S 3.046 7.844 7.925 1.00 . A A . 7 CYS SG 1 1
7 732 1 1 8 ALA C C -0.336 7.490 1.553 1.00 . A A . 8 ALA C 1 1
7 733 1 1 8 ALA CA C -0.231 8.399 2.773 1.00 . A A . 8 ALA CA 1 1
7 734 1 1 8 ALA CB C 0.457 9.707 2.381 1.00 . A A . 8 ALA CB 1 1
7 735 1 1 8 ALA H H 1.253 7.139 3.608 1.00 . A A . 8 ALA H 1 1
7 736 1 1 8 ALA HA H -1.224 8.622 3.131 1.00 . A A . 8 ALA HA 1 1
7 737 1 1 8 ALA HB1 H 1.524 9.605 2.513 1.00 . A A . 8 ALA HB1 1 1
7 738 1 1 8 ALA HB2 H 0.092 10.507 3.009 1.00 . A A . 8 ALA HB2 1 1
7 739 1 1 8 ALA HB3 H 0.242 9.932 1.348 1.00 . A A . 8 ALA HB3 1 1
7 740 1 1 8 ALA N N 0.522 7.747 3.835 1.00 . A A . 8 ALA N 1 1
7 741 1 1 8 ALA O O 0.644 7.382 0.833 1.00 . A A . 8 ALA O 1 1
7 742 1 1 8 ALA OXT O -1.393 6.914 1.356 1.00 . A A . 8 ALA OXT 1 1
8 743 1 1 1 PHE C C 9.244 4.215 6.648 1.00 . A A . 1 PHE C 1 1
8 744 1 1 1 PHE CA C 10.016 3.281 5.724 1.00 . A A . 1 PHE CA 1 1
8 745 1 1 1 PHE CB C 10.946 2.384 6.544 1.00 . A A . 1 PHE CB 1 1
8 746 1 1 1 PHE CD1 C 10.001 2.216 8.876 1.00 . A A . 1 PHE CD1 1 1
8 747 1 1 1 PHE CD2 C 9.548 0.426 7.304 1.00 . A A . 1 PHE CD2 1 1
8 748 1 1 1 PHE CE1 C 9.259 1.544 9.854 1.00 . A A . 1 PHE CE1 1 1
8 749 1 1 1 PHE CE2 C 8.806 -0.246 8.284 1.00 . A A . 1 PHE CE2 1 1
8 750 1 1 1 PHE CG C 10.146 1.657 7.600 1.00 . A A . 1 PHE CG 1 1
8 751 1 1 1 PHE CZ C 8.662 0.313 9.558 1.00 . A A . 1 PHE CZ 1 1
8 752 1 1 1 PHE H1 H 10.534 5.085 4.821 1.00 . A A . 1 PHE H1 1 1
8 753 1 1 1 PHE H2 H 10.679 3.734 3.801 1.00 . A A . 1 PHE H2 1 1
8 754 1 1 1 PHE H3 H 11.834 4.013 5.016 1.00 . A A . 1 PHE H3 1 1
8 755 1 1 1 PHE HA H 9.320 2.666 5.171 1.00 . A A . 1 PHE HA 1 1
8 756 1 1 1 PHE HB2 H 11.419 1.663 5.892 1.00 . A A . 1 PHE HB2 1 1
8 757 1 1 1 PHE HB3 H 11.703 2.989 7.020 1.00 . A A . 1 PHE HB3 1 1
8 758 1 1 1 PHE HD1 H 10.462 3.166 9.104 1.00 . A A . 1 PHE HD1 1 1
8 759 1 1 1 PHE HD2 H 9.660 -0.006 6.320 1.00 . A A . 1 PHE HD2 1 1
8 760 1 1 1 PHE HE1 H 9.148 1.976 10.838 1.00 . A A . 1 PHE HE1 1 1
8 761 1 1 1 PHE HE2 H 8.346 -1.195 8.055 1.00 . A A . 1 PHE HE2 1 1
8 762 1 1 1 PHE HZ H 8.089 -0.205 10.314 1.00 . A A . 1 PHE HZ 1 1
8 763 1 1 1 PHE N N 10.827 4.090 4.768 1.00 . A A . 1 PHE N 1 1
8 764 1 1 1 PHE O O 9.380 5.436 6.568 1.00 . A A . 1 PHE O 1 1
8 765 1 1 2 DHA C C 6.570 5.088 7.729 1.00 . A A . 2 DHA C 1 1
8 766 1 1 2 DHA CA C 7.678 4.421 8.412 1.00 . A A . 2 DHA CA 1 1
8 767 1 1 2 DHA CB C 7.848 4.635 9.712 1.00 . A A . 2 DHA CB 1 1
8 768 1 1 2 DHA H H 8.304 2.665 7.605 1.00 . A A . 2 DHA H 1 1
8 769 1 1 2 DHA HB1 H 8.644 4.173 10.219 1.00 . A A . 2 DHA HB1 1 1
8 770 1 1 2 DHA HB2 H 7.172 5.279 10.254 1.00 . A A . 2 DHA HB2 1 1
8 771 1 1 2 DHA N N 8.418 3.635 7.537 1.00 . A A . 2 DHA N 1 1
8 772 1 1 2 DHA O O 5.652 4.472 7.188 1.00 . A A . 2 DHA O 1 1
8 773 1 1 3 DAL C C 5.668 7.087 5.631 1.00 . A A . 3 DAL C 1 1
8 774 1 1 3 DAL CA C 5.548 7.153 7.156 1.00 . A A . 3 DAL CA 1 1
8 775 1 1 3 DAL CB C 4.236 6.553 7.643 1.00 . A A . 3 DAL CB 1 1
8 776 1 1 3 DAL H H 7.341 6.905 8.224 1.00 . A A . 3 DAL H 1 1
8 777 1 1 3 DAL HA H 5.598 8.175 7.471 1.00 . A A . 3 DAL HA 1 1
8 778 1 1 3 DAL HB1 H 4.413 6.024 8.569 1.00 . A A . 3 DAL HB1 1 1
8 779 1 1 3 DAL HB2 H 3.871 5.864 6.913 1.00 . A A . 3 DAL HB2 1 1
8 780 1 1 3 DAL N N 6.617 6.421 7.771 1.00 . A A . 3 DAL N 1 1
8 781 1 1 3 DAL O O 5.050 7.871 4.912 1.00 . A A . 3 DAL O 1 1
8 782 1 1 4 LEU C C 5.803 5.007 3.059 1.00 . A A . 4 LEU C 1 1
8 783 1 1 4 LEU CA C 6.735 6.033 3.710 1.00 . A A . 4 LEU CA 1 1
8 784 1 1 4 LEU CB C 8.188 5.624 3.460 1.00 . A A . 4 LEU CB 1 1
8 785 1 1 4 LEU CD1 C 10.264 6.138 2.166 1.00 . A A . 4 LEU CD1 1 1
8 786 1 1 4 LEU CD2 C 8.032 6.307 1.060 1.00 . A A . 4 LEU CD2 1 1
8 787 1 1 4 LEU CG C 8.795 6.512 2.371 1.00 . A A . 4 LEU CG 1 1
8 788 1 1 4 LEU H H 7.001 5.597 5.772 1.00 . A A . 4 LEU H 1 1
8 789 1 1 4 LEU HA H 6.565 6.991 3.243 1.00 . A A . 4 LEU HA 1 1
8 790 1 1 4 LEU HB2 H 8.754 5.736 4.374 1.00 . A A . 4 LEU HB2 1 1
8 791 1 1 4 LEU HB3 H 8.222 4.593 3.142 1.00 . A A . 4 LEU HB3 1 1
8 792 1 1 4 LEU HD11 H 10.332 5.107 1.851 1.00 . A A . 4 LEU HD11 1 1
8 793 1 1 4 LEU HD12 H 10.801 6.268 3.093 1.00 . A A . 4 LEU HD12 1 1
8 794 1 1 4 LEU HD13 H 10.694 6.775 1.407 1.00 . A A . 4 LEU HD13 1 1
8 795 1 1 4 LEU HD21 H 7.750 5.269 0.966 1.00 . A A . 4 LEU HD21 1 1
8 796 1 1 4 LEU HD22 H 8.664 6.584 0.229 1.00 . A A . 4 LEU HD22 1 1
8 797 1 1 4 LEU HD23 H 7.145 6.923 1.059 1.00 . A A . 4 LEU HD23 1 1
8 798 1 1 4 LEU HG H 8.726 7.547 2.672 1.00 . A A . 4 LEU HG 1 1
8 799 1 1 4 LEU N N 6.505 6.170 5.149 1.00 . A A . 4 LEU N 1 1
8 800 1 1 4 LEU O O 5.693 4.961 1.834 1.00 . A A . 4 LEU O 1 1
8 801 1 1 5 DHA C C 3.120 2.959 4.131 1.00 . A A . 5 DHA C 1 1
8 802 1 1 5 DHA CA C 4.263 3.229 3.290 1.00 . A A . 5 DHA CA 1 1
8 803 1 1 5 DHA CB C 4.345 2.622 2.134 1.00 . A A . 5 DHA CB 1 1
8 804 1 1 5 DHA H H 5.182 4.185 4.839 1.00 . A A . 5 DHA H 1 1
8 805 1 1 5 DHA HB1 H 5.155 2.821 1.515 1.00 . A A . 5 DHA HB1 1 1
8 806 1 1 5 DHA HB2 H 3.590 1.912 1.829 1.00 . A A . 5 DHA HB2 1 1
8 807 1 1 5 DHA N N 5.118 4.170 3.862 1.00 . A A . 5 DHA N 1 1
8 808 1 1 5 DHA O O 3.061 1.977 4.855 1.00 . A A . 5 DHA O 1 1
8 809 1 1 6 LEU C C 0.412 5.117 5.134 1.00 . A A . 6 LEU C 1 1
8 810 1 1 6 LEU CA C 0.911 3.737 4.745 1.00 . A A . 6 LEU CA 1 1
8 811 1 1 6 LEU CB C 1.121 2.896 6.005 1.00 . A A . 6 LEU CB 1 1
8 812 1 1 6 LEU CD1 C 1.853 4.109 8.070 1.00 . A A . 6 LEU CD1 1 1
8 813 1 1 6 LEU CD2 C 3.283 2.258 7.196 1.00 . A A . 6 LEU CD2 1 1
8 814 1 1 6 LEU CG C 2.339 3.410 6.800 1.00 . A A . 6 LEU CG 1 1
8 815 1 1 6 LEU H H 2.256 4.602 3.362 1.00 . A A . 6 LEU H 1 1
8 816 1 1 6 LEU HA H 0.179 3.259 4.121 1.00 . A A . 6 LEU HA 1 1
8 817 1 1 6 LEU HB2 H 0.241 2.968 6.625 1.00 . A A . 6 LEU HB2 1 1
8 818 1 1 6 LEU HB3 H 1.273 1.876 5.713 1.00 . A A . 6 LEU HB3 1 1
8 819 1 1 6 LEU HD11 H 1.284 3.414 8.670 1.00 . A A . 6 LEU HD11 1 1
8 820 1 1 6 LEU HD12 H 1.228 4.948 7.804 1.00 . A A . 6 LEU HD12 1 1
8 821 1 1 6 LEU HD13 H 2.704 4.460 8.636 1.00 . A A . 6 LEU HD13 1 1
8 822 1 1 6 LEU HD21 H 3.473 2.298 8.256 1.00 . A A . 6 LEU HD21 1 1
8 823 1 1 6 LEU HD22 H 4.220 2.365 6.665 1.00 . A A . 6 LEU HD22 1 1
8 824 1 1 6 LEU HD23 H 2.839 1.307 6.947 1.00 . A A . 6 LEU HD23 1 1
8 825 1 1 6 LEU HG H 2.880 4.118 6.196 1.00 . A A . 6 LEU HG 1 1
8 826 1 1 6 LEU N N 2.151 3.858 3.993 1.00 . A A . 6 LEU N 1 1
8 827 1 1 6 LEU O O -0.731 5.491 4.871 1.00 . A A . 6 LEU O 1 1
8 828 1 1 7 CYS C C 0.104 7.922 5.212 1.00 . A A . 7 CYS C 1 1
8 829 1 1 7 CYS CA C 1.038 7.215 6.181 1.00 . A A . 7 CYS CA 1 1
8 830 1 1 7 CYS CB C 2.377 7.932 6.247 1.00 . A A . 7 CYS CB 1 1
8 831 1 1 7 CYS H H 2.195 5.490 5.899 1.00 . A A . 7 CYS H 1 1
8 832 1 1 7 CYS HA H 0.595 7.202 7.157 1.00 . A A . 7 CYS HA 1 1
8 833 1 1 7 CYS HB2 H 3.059 7.418 5.589 1.00 . A A . 7 CYS HB2 1 1
8 834 1 1 7 CYS HB3 H 2.272 8.958 5.937 1.00 . A A . 7 CYS HB3 1 1
8 835 1 1 7 CYS N N 1.308 5.861 5.747 1.00 . A A . 7 CYS N 1 1
8 836 1 1 7 CYS O O -0.763 8.696 5.616 1.00 . A A . 7 CYS O 1 1
8 837 1 1 7 CYS SG S 3.022 7.865 7.929 1.00 . A A . 7 CYS SG 1 1
8 838 1 1 8 ALA C C -0.735 7.282 1.738 1.00 . A A . 8 ALA C 1 1
8 839 1 1 8 ALA CA C -0.538 8.250 2.900 1.00 . A A . 8 ALA CA 1 1
8 840 1 1 8 ALA CB C 0.119 9.537 2.399 1.00 . A A . 8 ALA CB 1 1
8 841 1 1 8 ALA H H 0.997 7.017 3.681 1.00 . A A . 8 ALA H 1 1
8 842 1 1 8 ALA HA H -1.501 8.493 3.322 1.00 . A A . 8 ALA HA 1 1
8 843 1 1 8 ALA HB1 H 1.194 9.431 2.436 1.00 . A A . 8 ALA HB1 1 1
8 844 1 1 8 ALA HB2 H -0.182 10.362 3.028 1.00 . A A . 8 ALA HB2 1 1
8 845 1 1 8 ALA HB3 H -0.190 9.727 1.384 1.00 . A A . 8 ALA HB3 1 1
8 846 1 1 8 ALA N N 0.290 7.644 3.933 1.00 . A A . 8 ALA N 1 1
8 847 1 1 8 ALA O O -0.994 7.749 0.641 1.00 . A A . 8 ALA O 1 1
8 848 1 1 8 ALA OXT O -0.620 6.088 1.962 1.00 . A A . 8 ALA OXT 1 1
9 849 1 1 1 PHE C C 9.196 2.629 7.879 1.00 . A A . 1 PHE C 1 1
9 850 1 1 1 PHE CA C 10.132 1.966 6.875 1.00 . A A . 1 PHE CA 1 1
9 851 1 1 1 PHE CB C 9.356 0.979 6.001 1.00 . A A . 1 PHE CB 1 1
9 852 1 1 1 PHE CD1 C 11.131 -0.513 5.013 1.00 . A A . 1 PHE CD1 1 1
9 853 1 1 1 PHE CD2 C 10.132 1.198 3.614 1.00 . A A . 1 PHE CD2 1 1
9 854 1 1 1 PHE CE1 C 11.941 -0.914 3.944 1.00 . A A . 1 PHE CE1 1 1
9 855 1 1 1 PHE CE2 C 10.943 0.796 2.545 1.00 . A A . 1 PHE CE2 1 1
9 856 1 1 1 PHE CG C 10.227 0.544 4.849 1.00 . A A . 1 PHE CG 1 1
9 857 1 1 1 PHE CZ C 11.846 -0.261 2.710 1.00 . A A . 1 PHE CZ 1 1
9 858 1 1 1 PHE H1 H 12.134 1.597 7.314 1.00 . A A . 1 PHE H1 1 1
9 859 1 1 1 PHE H2 H 11.143 0.219 7.390 1.00 . A A . 1 PHE H2 1 1
9 860 1 1 1 PHE H3 H 11.087 1.380 8.631 1.00 . A A . 1 PHE H3 1 1
9 861 1 1 1 PHE HA H 10.580 2.724 6.249 1.00 . A A . 1 PHE HA 1 1
9 862 1 1 1 PHE HB2 H 9.078 0.117 6.591 1.00 . A A . 1 PHE HB2 1 1
9 863 1 1 1 PHE HB3 H 8.466 1.456 5.620 1.00 . A A . 1 PHE HB3 1 1
9 864 1 1 1 PHE HD1 H 11.203 -1.017 5.965 1.00 . A A . 1 PHE HD1 1 1
9 865 1 1 1 PHE HD2 H 9.435 2.013 3.487 1.00 . A A . 1 PHE HD2 1 1
9 866 1 1 1 PHE HE1 H 12.638 -1.729 4.073 1.00 . A A . 1 PHE HE1 1 1
9 867 1 1 1 PHE HE2 H 10.869 1.301 1.593 1.00 . A A . 1 PHE HE2 1 1
9 868 1 1 1 PHE HZ H 12.471 -0.571 1.886 1.00 . A A . 1 PHE HZ 1 1
9 869 1 1 1 PHE N N 11.205 1.235 7.608 1.00 . A A . 1 PHE N 1 1
9 870 1 1 1 PHE O O 8.890 2.061 8.927 1.00 . A A . 1 PHE O 1 1
9 871 1 1 2 DHA C C 6.749 5.128 7.717 1.00 . A A . 2 DHA C 1 1
9 872 1 1 2 DHA CA C 7.881 4.521 8.425 1.00 . A A . 2 DHA CA 1 1
9 873 1 1 2 DHA CB C 7.968 4.680 9.742 1.00 . A A . 2 DHA CB 1 1
9 874 1 1 2 DHA H H 8.976 4.312 6.726 1.00 . A A . 2 DHA H 1 1
9 875 1 1 2 DHA HB1 H 8.778 4.263 10.270 1.00 . A A . 2 DHA HB1 1 1
9 876 1 1 2 DHA HB2 H 7.210 5.232 10.279 1.00 . A A . 2 DHA HB2 1 1
9 877 1 1 2 DHA N N 8.735 3.852 7.557 1.00 . A A . 2 DHA N 1 1
9 878 1 1 2 DHA O O 5.903 4.467 7.115 1.00 . A A . 2 DHA O 1 1
9 879 1 1 3 DAL C C 5.695 7.104 5.677 1.00 . A A . 3 DAL C 1 1
9 880 1 1 3 DAL CA C 5.597 7.157 7.207 1.00 . A A . 3 DAL CA 1 1
9 881 1 1 3 DAL CB C 4.295 6.536 7.713 1.00 . A A . 3 DAL CB 1 1
9 882 1 1 3 DAL H H 7.360 6.966 8.331 1.00 . A A . 3 DAL H 1 1
9 883 1 1 3 DAL HA H 5.632 8.178 7.521 1.00 . A A . 3 DAL HA 1 1
9 884 1 1 3 DAL HB1 H 4.481 6.056 8.664 1.00 . A A . 3 DAL HB1 1 1
9 885 1 1 3 DAL HB2 H 3.953 5.800 7.014 1.00 . A A . 3 DAL HB2 1 1
9 886 1 1 3 DAL N N 6.692 6.457 7.823 1.00 . A A . 3 DAL N 1 1
9 887 1 1 3 DAL O O 5.089 7.918 4.980 1.00 . A A . 3 DAL O 1 1
9 888 1 1 4 LEU C C 5.766 5.030 3.060 1.00 . A A . 4 LEU C 1 1
9 889 1 1 4 LEU CA C 6.685 6.072 3.707 1.00 . A A . 4 LEU CA 1 1
9 890 1 1 4 LEU CB C 8.141 5.722 3.396 1.00 . A A . 4 LEU CB 1 1
9 891 1 1 4 LEU CD1 C 9.826 6.404 1.678 1.00 . A A . 4 LEU CD1 1 1
9 892 1 1 4 LEU CD2 C 8.222 4.554 1.182 1.00 . A A . 4 LEU CD2 1 1
9 893 1 1 4 LEU CG C 8.399 5.898 1.896 1.00 . A A . 4 LEU CG 1 1
9 894 1 1 4 LEU H H 6.994 5.574 5.757 1.00 . A A . 4 LEU H 1 1
9 895 1 1 4 LEU HA H 6.466 7.032 3.268 1.00 . A A . 4 LEU HA 1 1
9 896 1 1 4 LEU HB2 H 8.795 6.377 3.953 1.00 . A A . 4 LEU HB2 1 1
9 897 1 1 4 LEU HB3 H 8.334 4.696 3.675 1.00 . A A . 4 LEU HB3 1 1
9 898 1 1 4 LEU HD11 H 9.993 7.281 2.285 1.00 . A A . 4 LEU HD11 1 1
9 899 1 1 4 LEU HD12 H 9.963 6.657 0.637 1.00 . A A . 4 LEU HD12 1 1
9 900 1 1 4 LEU HD13 H 10.529 5.634 1.956 1.00 . A A . 4 LEU HD13 1 1
9 901 1 1 4 LEU HD21 H 9.186 4.085 1.053 1.00 . A A . 4 LEU HD21 1 1
9 902 1 1 4 LEU HD22 H 7.769 4.717 0.216 1.00 . A A . 4 LEU HD22 1 1
9 903 1 1 4 LEU HD23 H 7.586 3.912 1.774 1.00 . A A . 4 LEU HD23 1 1
9 904 1 1 4 LEU HG H 7.698 6.616 1.494 1.00 . A A . 4 LEU HG 1 1
9 905 1 1 4 LEU N N 6.497 6.174 5.157 1.00 . A A . 4 LEU N 1 1
9 906 1 1 4 LEU O O 5.654 4.979 1.835 1.00 . A A . 4 LEU O 1 1
9 907 1 1 5 DHA C C 3.114 2.975 4.164 1.00 . A A . 5 DHA C 1 1
9 908 1 1 5 DHA CA C 4.246 3.239 3.310 1.00 . A A . 5 DHA CA 1 1
9 909 1 1 5 DHA CB C 4.330 2.613 2.163 1.00 . A A . 5 DHA CB 1 1
9 910 1 1 5 DHA H H 5.158 4.216 4.844 1.00 . A A . 5 DHA H 1 1
9 911 1 1 5 DHA HB1 H 5.135 2.808 1.538 1.00 . A A . 5 DHA HB1 1 1
9 912 1 1 5 DHA HB2 H 3.579 1.893 1.872 1.00 . A A . 5 DHA HB2 1 1
9 913 1 1 5 DHA N N 5.093 4.193 3.868 1.00 . A A . 5 DHA N 1 1
9 914 1 1 5 DHA O O 3.103 2.042 4.944 1.00 . A A . 5 DHA O 1 1
9 915 1 1 6 LEU C C 0.386 5.072 5.171 1.00 . A A . 6 LEU C 1 1
9 916 1 1 6 LEU CA C 0.868 3.697 4.741 1.00 . A A . 6 LEU CA 1 1
9 917 1 1 6 LEU CB C 1.084 2.842 5.991 1.00 . A A . 6 LEU CB 1 1
9 918 1 1 6 LEU CD1 C 1.684 4.102 8.070 1.00 . A A . 6 LEU CD1 1 1
9 919 1 1 6 LEU CD2 C 3.225 2.304 7.272 1.00 . A A . 6 LEU CD2 1 1
9 920 1 1 6 LEU CG C 2.249 3.411 6.827 1.00 . A A . 6 LEU CG 1 1
9 921 1 1 6 LEU H H 2.179 4.529 3.294 1.00 . A A . 6 LEU H 1 1
9 922 1 1 6 LEU HA H 0.126 3.236 4.119 1.00 . A A . 6 LEU HA 1 1
9 923 1 1 6 LEU HB2 H 0.182 2.860 6.585 1.00 . A A . 6 LEU HB2 1 1
9 924 1 1 6 LEU HB3 H 1.296 1.835 5.691 1.00 . A A . 6 LEU HB3 1 1
9 925 1 1 6 LEU HD11 H 0.985 3.443 8.563 1.00 . A A . 6 LEU HD11 1 1
9 926 1 1 6 LEU HD12 H 1.178 5.010 7.778 1.00 . A A . 6 LEU HD12 1 1
9 927 1 1 6 LEU HD13 H 2.492 4.343 8.746 1.00 . A A . 6 LEU HD13 1 1
9 928 1 1 6 LEU HD21 H 4.183 2.462 6.792 1.00 . A A . 6 LEU HD21 1 1
9 929 1 1 6 LEU HD22 H 2.843 1.334 6.994 1.00 . A A . 6 LEU HD22 1 1
9 930 1 1 6 LEU HD23 H 3.353 2.345 8.340 1.00 . A A . 6 LEU HD23 1 1
9 931 1 1 6 LEU HG H 2.784 4.137 6.238 1.00 . A A . 6 LEU HG 1 1
9 932 1 1 6 LEU N N 2.104 3.822 3.974 1.00 . A A . 6 LEU N 1 1
9 933 1 1 6 LEU O O -0.795 5.406 5.068 1.00 . A A . 6 LEU O 1 1
9 934 1 1 7 CYS C C 0.206 7.992 5.162 1.00 . A A . 7 CYS C 1 1
9 935 1 1 7 CYS CA C 1.099 7.203 6.117 1.00 . A A . 7 CYS CA 1 1
9 936 1 1 7 CYS CB C 2.462 7.863 6.226 1.00 . A A . 7 CYS CB 1 1
9 937 1 1 7 CYS H H 2.242 5.502 5.695 1.00 . A A . 7 CYS H 1 1
9 938 1 1 7 CYS HA H 0.642 7.174 7.091 1.00 . A A . 7 CYS HA 1 1
9 939 1 1 7 CYS HB2 H 3.148 7.299 5.614 1.00 . A A . 7 CYS HB2 1 1
9 940 1 1 7 CYS HB3 H 2.414 8.883 5.880 1.00 . A A . 7 CYS HB3 1 1
9 941 1 1 7 CYS N N 1.333 5.850 5.652 1.00 . A A . 7 CYS N 1 1
9 942 1 1 7 CYS O O -0.103 9.157 5.415 1.00 . A A . 7 CYS O 1 1
9 943 1 1 7 CYS SG S 3.035 7.820 7.934 1.00 . A A . 7 CYS SG 1 1
9 944 1 1 8 ALA C C -1.874 9.124 3.732 1.00 . A A . 8 ALA C 1 1
9 945 1 1 8 ALA CA C -1.059 8.006 3.088 1.00 . A A . 8 ALA CA 1 1
9 946 1 1 8 ALA CB C -2.007 6.974 2.478 1.00 . A A . 8 ALA CB 1 1
9 947 1 1 8 ALA H H 0.076 6.431 3.922 1.00 . A A . 8 ALA H 1 1
9 948 1 1 8 ALA HA H -0.445 8.423 2.306 1.00 . A A . 8 ALA HA 1 1
9 949 1 1 8 ALA HB1 H -2.418 7.363 1.560 1.00 . A A . 8 ALA HB1 1 1
9 950 1 1 8 ALA HB2 H -2.808 6.769 3.174 1.00 . A A . 8 ALA HB2 1 1
9 951 1 1 8 ALA HB3 H -1.464 6.064 2.275 1.00 . A A . 8 ALA HB3 1 1
9 952 1 1 8 ALA N N -0.203 7.355 4.071 1.00 . A A . 8 ALA N 1 1
9 953 1 1 8 ALA O O -2.845 8.812 4.403 1.00 . A A . 8 ALA O 1 1
9 954 1 1 8 ALA OXT O -1.516 10.274 3.544 1.00 . A A . 8 ALA OXT 1 1
10 955 1 1 1 PHE C C 9.639 3.369 7.676 1.00 . A A . 1 PHE C 1 1
10 956 1 1 1 PHE CA C 10.235 2.352 6.708 1.00 . A A . 1 PHE CA 1 1
10 957 1 1 1 PHE CB C 10.244 2.923 5.287 1.00 . A A . 1 PHE CB 1 1
10 958 1 1 1 PHE CD1 C 11.003 1.394 3.431 1.00 . A A . 1 PHE CD1 1 1
10 959 1 1 1 PHE CD2 C 12.680 2.505 4.787 1.00 . A A . 1 PHE CD2 1 1
10 960 1 1 1 PHE CE1 C 12.016 0.778 2.686 1.00 . A A . 1 PHE CE1 1 1
10 961 1 1 1 PHE CE2 C 13.691 1.888 4.042 1.00 . A A . 1 PHE CE2 1 1
10 962 1 1 1 PHE CG C 11.336 2.258 4.482 1.00 . A A . 1 PHE CG 1 1
10 963 1 1 1 PHE CZ C 13.359 1.025 2.991 1.00 . A A . 1 PHE CZ 1 1
10 964 1 1 1 PHE H1 H 9.283 0.802 7.718 1.00 . A A . 1 PHE H1 1 1
10 965 1 1 1 PHE H2 H 9.902 0.361 6.199 1.00 . A A . 1 PHE H2 1 1
10 966 1 1 1 PHE H3 H 8.488 1.297 6.304 1.00 . A A . 1 PHE H3 1 1
10 967 1 1 1 PHE HA H 11.247 2.121 7.008 1.00 . A A . 1 PHE HA 1 1
10 968 1 1 1 PHE HB2 H 9.288 2.739 4.820 1.00 . A A . 1 PHE HB2 1 1
10 969 1 1 1 PHE HB3 H 10.425 3.987 5.328 1.00 . A A . 1 PHE HB3 1 1
10 970 1 1 1 PHE HD1 H 9.967 1.204 3.196 1.00 . A A . 1 PHE HD1 1 1
10 971 1 1 1 PHE HD2 H 12.936 3.171 5.598 1.00 . A A . 1 PHE HD2 1 1
10 972 1 1 1 PHE HE1 H 11.760 0.112 1.875 1.00 . A A . 1 PHE HE1 1 1
10 973 1 1 1 PHE HE2 H 14.728 2.079 4.276 1.00 . A A . 1 PHE HE2 1 1
10 974 1 1 1 PHE HZ H 14.139 0.549 2.416 1.00 . A A . 1 PHE HZ 1 1
10 975 1 1 1 PHE N N 9.415 1.109 6.733 1.00 . A A . 1 PHE N 1 1
10 976 1 1 1 PHE O O 10.359 4.015 8.436 1.00 . A A . 1 PHE O 1 1
10 977 1 1 2 DHA C C 6.553 5.081 7.843 1.00 . A A . 2 DHA C 1 1
10 978 1 1 2 DHA CA C 7.677 4.411 8.502 1.00 . A A . 2 DHA CA 1 1
10 979 1 1 2 DHA CB C 7.963 4.723 9.762 1.00 . A A . 2 DHA CB 1 1
10 980 1 1 2 DHA H H 7.724 2.993 7.047 1.00 . A A . 2 DHA H 1 1
10 981 1 1 2 DHA HB1 H 8.772 4.258 10.245 1.00 . A A . 2 DHA HB1 1 1
10 982 1 1 2 DHA HB2 H 7.368 5.451 10.295 1.00 . A A . 2 DHA HB2 1 1
10 983 1 1 2 DHA N N 8.302 3.508 7.649 1.00 . A A . 2 DHA N 1 1
10 984 1 1 2 DHA O O 5.580 4.468 7.403 1.00 . A A . 2 DHA O 1 1
10 985 1 1 3 DAL C C 5.679 7.101 5.659 1.00 . A A . 3 DAL C 1 1
10 986 1 1 3 DAL CA C 5.578 7.149 7.185 1.00 . A A . 3 DAL CA 1 1
10 987 1 1 3 DAL CB C 4.265 6.552 7.684 1.00 . A A . 3 DAL CB 1 1
10 988 1 1 3 DAL H H 7.424 6.894 8.157 1.00 . A A . 3 DAL H 1 1
10 989 1 1 3 DAL HA H 5.636 8.168 7.508 1.00 . A A . 3 DAL HA 1 1
10 990 1 1 3 DAL HB1 H 4.438 6.059 8.630 1.00 . A A . 3 DAL HB1 1 1
10 991 1 1 3 DAL HB2 H 3.910 5.833 6.977 1.00 . A A . 3 DAL HB2 1 1
10 992 1 1 3 DAL N N 6.654 6.410 7.787 1.00 . A A . 3 DAL N 1 1
10 993 1 1 3 DAL O O 5.067 7.908 4.960 1.00 . A A . 3 DAL O 1 1
10 994 1 1 4 LEU C C 5.785 5.014 3.056 1.00 . A A . 4 LEU C 1 1
10 995 1 1 4 LEU CA C 6.698 6.066 3.703 1.00 . A A . 4 LEU CA 1 1
10 996 1 1 4 LEU CB C 8.159 5.713 3.416 1.00 . A A . 4 LEU CB 1 1
10 997 1 1 4 LEU CD1 C 9.624 6.564 1.575 1.00 . A A . 4 LEU CD1 1 1
10 998 1 1 4 LEU CD2 C 8.648 4.269 1.435 1.00 . A A . 4 LEU CD2 1 1
10 999 1 1 4 LEU CG C 8.400 5.705 1.904 1.00 . A A . 4 LEU CG 1 1
10 1000 1 1 4 LEU H H 6.991 5.585 5.754 1.00 . A A . 4 LEU H 1 1
10 1001 1 1 4 LEU HA H 6.486 7.022 3.253 1.00 . A A . 4 LEU HA 1 1
10 1002 1 1 4 LEU HB2 H 8.803 6.447 3.879 1.00 . A A . 4 LEU HB2 1 1
10 1003 1 1 4 LEU HB3 H 8.379 4.736 3.820 1.00 . A A . 4 LEU HB3 1 1
10 1004 1 1 4 LEU HD11 H 9.815 6.525 0.513 1.00 . A A . 4 LEU HD11 1 1
10 1005 1 1 4 LEU HD12 H 10.483 6.187 2.110 1.00 . A A . 4 LEU HD12 1 1
10 1006 1 1 4 LEU HD13 H 9.436 7.585 1.870 1.00 . A A . 4 LEU HD13 1 1
10 1007 1 1 4 LEU HD21 H 7.924 3.610 1.892 1.00 . A A . 4 LEU HD21 1 1
10 1008 1 1 4 LEU HD22 H 9.643 3.963 1.722 1.00 . A A . 4 LEU HD22 1 1
10 1009 1 1 4 LEU HD23 H 8.552 4.218 0.360 1.00 . A A . 4 LEU HD23 1 1
10 1010 1 1 4 LEU HG H 7.534 6.106 1.398 1.00 . A A . 4 LEU HG 1 1
10 1011 1 1 4 LEU N N 6.494 6.177 5.148 1.00 . A A . 4 LEU N 1 1
10 1012 1 1 4 LEU O O 5.690 4.949 1.831 1.00 . A A . 4 LEU O 1 1
10 1013 1 1 5 DHA C C 3.115 2.959 4.156 1.00 . A A . 5 DHA C 1 1
10 1014 1 1 5 DHA CA C 4.260 3.220 3.312 1.00 . A A . 5 DHA CA 1 1
10 1015 1 1 5 DHA CB C 4.354 2.584 2.174 1.00 . A A . 5 DHA CB 1 1
10 1016 1 1 5 DHA H H 5.154 4.218 4.844 1.00 . A A . 5 DHA H 1 1
10 1017 1 1 5 DHA HB1 H 5.165 2.775 1.555 1.00 . A A . 5 DHA HB1 1 1
10 1018 1 1 5 DHA HB2 H 3.608 1.860 1.883 1.00 . A A . 5 DHA HB2 1 1
10 1019 1 1 5 DHA N N 5.101 4.184 3.868 1.00 . A A . 5 DHA N 1 1
10 1020 1 1 5 DHA O O 3.074 2.007 4.917 1.00 . A A . 5 DHA O 1 1
10 1021 1 1 6 LEU C C 0.402 5.109 5.127 1.00 . A A . 6 LEU C 1 1
10 1022 1 1 6 LEU CA C 0.887 3.723 4.734 1.00 . A A . 6 LEU CA 1 1
10 1023 1 1 6 LEU CB C 1.091 2.886 5.997 1.00 . A A . 6 LEU CB 1 1
10 1024 1 1 6 LEU CD1 C 1.759 4.155 8.048 1.00 . A A . 6 LEU CD1 1 1
10 1025 1 1 6 LEU CD2 C 3.224 2.290 7.258 1.00 . A A . 6 LEU CD2 1 1
10 1026 1 1 6 LEU CG C 2.286 3.428 6.810 1.00 . A A . 6 LEU CG 1 1
10 1027 1 1 6 LEU H H 2.225 4.558 3.324 1.00 . A A . 6 LEU H 1 1
10 1028 1 1 6 LEU HA H 0.151 3.251 4.111 1.00 . A A . 6 LEU HA 1 1
10 1029 1 1 6 LEU HB2 H 0.199 2.942 6.602 1.00 . A A . 6 LEU HB2 1 1
10 1030 1 1 6 LEU HB3 H 1.269 1.868 5.709 1.00 . A A . 6 LEU HB3 1 1
10 1031 1 1 6 LEU HD11 H 1.044 4.905 7.747 1.00 . A A . 6 LEU HD11 1 1
10 1032 1 1 6 LEU HD12 H 2.581 4.629 8.564 1.00 . A A . 6 LEU HD12 1 1
10 1033 1 1 6 LEU HD13 H 1.282 3.444 8.708 1.00 . A A . 6 LEU HD13 1 1
10 1034 1 1 6 LEU HD21 H 2.794 1.332 7.014 1.00 . A A . 6 LEU HD21 1 1
10 1035 1 1 6 LEU HD22 H 3.381 2.351 8.322 1.00 . A A . 6 LEU HD22 1 1
10 1036 1 1 6 LEU HD23 H 4.175 2.394 6.752 1.00 . A A . 6 LEU HD23 1 1
10 1037 1 1 6 LEU HG H 2.839 4.124 6.207 1.00 . A A . 6 LEU HG 1 1
10 1038 1 1 6 LEU N N 2.128 3.835 3.981 1.00 . A A . 6 LEU N 1 1
10 1039 1 1 6 LEU O O -0.748 5.485 4.896 1.00 . A A . 6 LEU O 1 1
10 1040 1 1 7 CYS C C 0.149 7.942 5.185 1.00 . A A . 7 CYS C 1 1
10 1041 1 1 7 CYS CA C 1.074 7.209 6.148 1.00 . A A . 7 CYS CA 1 1
10 1042 1 1 7 CYS CB C 2.428 7.894 6.218 1.00 . A A . 7 CYS CB 1 1
10 1043 1 1 7 CYS H H 2.206 5.475 5.837 1.00 . A A . 7 CYS H 1 1
10 1044 1 1 7 CYS HA H 0.633 7.197 7.124 1.00 . A A . 7 CYS HA 1 1
10 1045 1 1 7 CYS HB2 H 3.109 7.344 5.591 1.00 . A A . 7 CYS HB2 1 1
10 1046 1 1 7 CYS HB3 H 2.356 8.913 5.876 1.00 . A A . 7 CYS HB3 1 1
10 1047 1 1 7 CYS N N 1.318 5.851 5.708 1.00 . A A . 7 CYS N 1 1
10 1048 1 1 7 CYS O O -0.807 8.597 5.598 1.00 . A A . 7 CYS O 1 1
10 1049 1 1 7 CYS SG S 3.037 7.864 7.916 1.00 . A A . 7 CYS SG 1 1
10 1050 1 1 8 ALA C C -0.402 7.629 1.606 1.00 . A A . 8 ALA C 1 1
10 1051 1 1 8 ALA CA C -0.363 8.474 2.876 1.00 . A A . 8 ALA CA 1 1
10 1052 1 1 8 ALA CB C 0.212 9.856 2.561 1.00 . A A . 8 ALA CB 1 1
10 1053 1 1 8 ALA H H 1.217 7.285 3.640 1.00 . A A . 8 ALA H 1 1
10 1054 1 1 8 ALA HA H -1.370 8.593 3.247 1.00 . A A . 8 ALA HA 1 1
10 1055 1 1 8 ALA HB1 H -0.577 10.592 2.601 1.00 . A A . 8 ALA HB1 1 1
10 1056 1 1 8 ALA HB2 H 0.647 9.847 1.572 1.00 . A A . 8 ALA HB2 1 1
10 1057 1 1 8 ALA HB3 H 0.973 10.103 3.286 1.00 . A A . 8 ALA HB3 1 1
10 1058 1 1 8 ALA N N 0.444 7.823 3.902 1.00 . A A . 8 ALA N 1 1
10 1059 1 1 8 ALA O O -1.468 7.518 1.024 1.00 . A A . 8 ALA O 1 1
10 1060 1 1 8 ALA OXT O 0.637 7.107 1.234 1.00 . A A . 8 ALA OXT 1 1
11 1061 1 1 1 PHE C C 8.769 2.326 7.769 1.00 . A A . 1 PHE C 1 1
11 1062 1 1 1 PHE CA C 9.513 1.516 6.713 1.00 . A A . 1 PHE CA 1 1
11 1063 1 1 1 PHE CB C 10.964 1.989 6.617 1.00 . A A . 1 PHE CB 1 1
11 1064 1 1 1 PHE CD1 C 12.188 0.104 5.477 1.00 . A A . 1 PHE CD1 1 1
11 1065 1 1 1 PHE CD2 C 11.636 2.083 4.190 1.00 . A A . 1 PHE CD2 1 1
11 1066 1 1 1 PHE CE1 C 12.787 -0.464 4.346 1.00 . A A . 1 PHE CE1 1 1
11 1067 1 1 1 PHE CE2 C 12.235 1.516 3.059 1.00 . A A . 1 PHE CE2 1 1
11 1068 1 1 1 PHE CG C 11.612 1.378 5.398 1.00 . A A . 1 PHE CG 1 1
11 1069 1 1 1 PHE CZ C 12.812 0.242 3.137 1.00 . A A . 1 PHE CZ 1 1
11 1070 1 1 1 PHE H1 H 9.431 2.309 4.790 1.00 . A A . 1 PHE H1 1 1
11 1071 1 1 1 PHE H2 H 7.913 2.138 5.535 1.00 . A A . 1 PHE H2 1 1
11 1072 1 1 1 PHE H3 H 8.727 0.773 4.934 1.00 . A A . 1 PHE H3 1 1
11 1073 1 1 1 PHE HA H 9.492 0.471 6.983 1.00 . A A . 1 PHE HA 1 1
11 1074 1 1 1 PHE HB2 H 10.988 3.066 6.537 1.00 . A A . 1 PHE HB2 1 1
11 1075 1 1 1 PHE HB3 H 11.502 1.682 7.502 1.00 . A A . 1 PHE HB3 1 1
11 1076 1 1 1 PHE HD1 H 12.170 -0.441 6.409 1.00 . A A . 1 PHE HD1 1 1
11 1077 1 1 1 PHE HD2 H 11.192 3.067 4.129 1.00 . A A . 1 PHE HD2 1 1
11 1078 1 1 1 PHE HE1 H 13.232 -1.446 4.406 1.00 . A A . 1 PHE HE1 1 1
11 1079 1 1 1 PHE HE2 H 12.254 2.061 2.127 1.00 . A A . 1 PHE HE2 1 1
11 1080 1 1 1 PHE HZ H 13.274 -0.196 2.265 1.00 . A A . 1 PHE HZ 1 1
11 1081 1 1 1 PHE N N 8.846 1.698 5.393 1.00 . A A . 1 PHE N 1 1
11 1082 1 1 1 PHE O O 8.455 1.821 8.846 1.00 . A A . 1 PHE O 1 1
11 1083 1 1 2 DHA C C 6.656 5.071 7.740 1.00 . A A . 2 DHA C 1 1
11 1084 1 1 2 DHA CA C 7.803 4.405 8.364 1.00 . A A . 2 DHA CA 1 1
11 1085 1 1 2 DHA CB C 8.060 4.633 9.649 1.00 . A A . 2 DHA CB 1 1
11 1086 1 1 2 DHA H H 8.727 4.009 6.598 1.00 . A A . 2 DHA H 1 1
11 1087 1 1 2 DHA HB1 H 8.886 4.169 10.108 1.00 . A A . 2 DHA HB1 1 1
11 1088 1 1 2 DHA HB2 H 7.426 5.288 10.228 1.00 . A A . 2 DHA HB2 1 1
11 1089 1 1 2 DHA N N 8.481 3.602 7.455 1.00 . A A . 2 DHA N 1 1
11 1090 1 1 2 DHA O O 5.714 4.453 7.245 1.00 . A A . 2 DHA O 1 1
11 1091 1 1 3 DAL C C 5.684 7.121 5.687 1.00 . A A . 3 DAL C 1 1
11 1092 1 1 3 DAL CA C 5.608 7.143 7.214 1.00 . A A . 3 DAL CA 1 1
11 1093 1 1 3 DAL CB C 4.306 6.525 7.725 1.00 . A A . 3 DAL CB 1 1
11 1094 1 1 3 DAL H H 7.453 6.888 8.187 1.00 . A A . 3 DAL H 1 1
11 1095 1 1 3 DAL HA H 5.668 8.155 7.554 1.00 . A A . 3 DAL HA 1 1
11 1096 1 1 3 DAL HB1 H 4.493 6.051 8.678 1.00 . A A . 3 DAL HB1 1 1
11 1097 1 1 3 DAL HB2 H 3.965 5.785 7.030 1.00 . A A . 3 DAL HB2 1 1
11 1098 1 1 3 DAL N N 6.705 6.403 7.778 1.00 . A A . 3 DAL N 1 1
11 1099 1 1 3 DAL O O 5.077 7.951 5.010 1.00 . A A . 3 DAL O 1 1
11 1100 1 1 4 LEU C C 5.742 5.040 3.062 1.00 . A A . 4 LEU C 1 1
11 1101 1 1 4 LEU CA C 6.652 6.098 3.700 1.00 . A A . 4 LEU CA 1 1
11 1102 1 1 4 LEU CB C 8.110 5.770 3.379 1.00 . A A . 4 LEU CB 1 1
11 1103 1 1 4 LEU CD1 C 9.440 7.163 1.781 1.00 . A A . 4 LEU CD1 1 1
11 1104 1 1 4 LEU CD2 C 8.905 4.789 1.221 1.00 . A A . 4 LEU CD2 1 1
11 1105 1 1 4 LEU CG C 8.387 6.059 1.900 1.00 . A A . 4 LEU CG 1 1
11 1106 1 1 4 LEU H H 6.970 5.583 5.740 1.00 . A A . 4 LEU H 1 1
11 1107 1 1 4 LEU HA H 6.416 7.056 3.264 1.00 . A A . 4 LEU HA 1 1
11 1108 1 1 4 LEU HB2 H 8.759 6.378 3.993 1.00 . A A . 4 LEU HB2 1 1
11 1109 1 1 4 LEU HB3 H 8.297 4.726 3.581 1.00 . A A . 4 LEU HB3 1 1
11 1110 1 1 4 LEU HD11 H 9.762 7.243 0.753 1.00 . A A . 4 LEU HD11 1 1
11 1111 1 1 4 LEU HD12 H 10.287 6.924 2.406 1.00 . A A . 4 LEU HD12 1 1
11 1112 1 1 4 LEU HD13 H 9.012 8.104 2.099 1.00 . A A . 4 LEU HD13 1 1
11 1113 1 1 4 LEU HD21 H 9.861 4.519 1.643 1.00 . A A . 4 LEU HD21 1 1
11 1114 1 1 4 LEU HD22 H 9.017 4.968 0.162 1.00 . A A . 4 LEU HD22 1 1
11 1115 1 1 4 LEU HD23 H 8.202 3.984 1.378 1.00 . A A . 4 LEU HD23 1 1
11 1116 1 1 4 LEU HG H 7.475 6.380 1.418 1.00 . A A . 4 LEU HG 1 1
11 1117 1 1 4 LEU N N 6.473 6.192 5.150 1.00 . A A . 4 LEU N 1 1
11 1118 1 1 4 LEU O O 5.617 4.989 1.838 1.00 . A A . 4 LEU O 1 1
11 1119 1 1 5 DHA C C 3.112 2.965 4.178 1.00 . A A . 5 DHA C 1 1
11 1120 1 1 5 DHA CA C 4.255 3.215 3.333 1.00 . A A . 5 DHA CA 1 1
11 1121 1 1 5 DHA CB C 4.354 2.561 2.204 1.00 . A A . 5 DHA CB 1 1
11 1122 1 1 5 DHA H H 5.171 4.210 4.853 1.00 . A A . 5 DHA H 1 1
11 1123 1 1 5 DHA HB1 H 5.164 2.743 1.584 1.00 . A A . 5 DHA HB1 1 1
11 1124 1 1 5 DHA HB2 H 3.607 1.832 1.923 1.00 . A A . 5 DHA HB2 1 1
11 1125 1 1 5 DHA N N 5.093 4.187 3.879 1.00 . A A . 5 DHA N 1 1
11 1126 1 1 5 DHA O O 3.085 2.038 4.968 1.00 . A A . 5 DHA O 1 1
11 1127 1 1 6 LEU C C 0.396 5.093 5.134 1.00 . A A . 6 LEU C 1 1
11 1128 1 1 6 LEU CA C 0.866 3.709 4.724 1.00 . A A . 6 LEU CA 1 1
11 1129 1 1 6 LEU CB C 1.055 2.858 5.981 1.00 . A A . 6 LEU CB 1 1
11 1130 1 1 6 LEU CD1 C 1.652 4.118 8.061 1.00 . A A . 6 LEU CD1 1 1
11 1131 1 1 6 LEU CD2 C 3.158 2.276 7.300 1.00 . A A . 6 LEU CD2 1 1
11 1132 1 1 6 LEU CG C 2.221 3.406 6.831 1.00 . A A . 6 LEU CG 1 1
11 1133 1 1 6 LEU H H 2.197 4.519 3.287 1.00 . A A . 6 LEU H 1 1
11 1134 1 1 6 LEU HA H 0.126 3.253 4.094 1.00 . A A . 6 LEU HA 1 1
11 1135 1 1 6 LEU HB2 H 0.147 2.893 6.564 1.00 . A A . 6 LEU HB2 1 1
11 1136 1 1 6 LEU HB3 H 1.253 1.846 5.685 1.00 . A A . 6 LEU HB3 1 1
11 1137 1 1 6 LEU HD11 H 0.780 4.688 7.775 1.00 . A A . 6 LEU HD11 1 1
11 1138 1 1 6 LEU HD12 H 2.399 4.782 8.470 1.00 . A A . 6 LEU HD12 1 1
11 1139 1 1 6 LEU HD13 H 1.375 3.385 8.805 1.00 . A A . 6 LEU HD13 1 1
11 1140 1 1 6 LEU HD21 H 3.270 2.321 8.369 1.00 . A A . 6 LEU HD21 1 1
11 1141 1 1 6 LEU HD22 H 4.128 2.401 6.836 1.00 . A A . 6 LEU HD22 1 1
11 1142 1 1 6 LEU HD23 H 2.754 1.315 7.020 1.00 . A A . 6 LEU HD23 1 1
11 1143 1 1 6 LEU HG H 2.785 4.115 6.250 1.00 . A A . 6 LEU HG 1 1
11 1144 1 1 6 LEU N N 2.111 3.817 3.970 1.00 . A A . 6 LEU N 1 1
11 1145 1 1 6 LEU O O -0.768 5.458 4.974 1.00 . A A . 6 LEU O 1 1
11 1146 1 1 7 CYS C C 0.238 7.978 5.135 1.00 . A A . 7 CYS C 1 1
11 1147 1 1 7 CYS CA C 1.114 7.202 6.111 1.00 . A A . 7 CYS CA 1 1
11 1148 1 1 7 CYS CB C 2.481 7.852 6.226 1.00 . A A . 7 CYS CB 1 1
11 1149 1 1 7 CYS H H 2.237 5.475 5.740 1.00 . A A . 7 CYS H 1 1
11 1150 1 1 7 CYS HA H 0.644 7.187 7.076 1.00 . A A . 7 CYS HA 1 1
11 1151 1 1 7 CYS HB2 H 3.165 7.283 5.619 1.00 . A A . 7 CYS HB2 1 1
11 1152 1 1 7 CYS HB3 H 2.443 8.873 5.877 1.00 . A A . 7 CYS HB3 1 1
11 1153 1 1 7 CYS N N 1.340 5.846 5.659 1.00 . A A . 7 CYS N 1 1
11 1154 1 1 7 CYS O O -0.191 9.095 5.426 1.00 . A A . 7 CYS O 1 1
11 1155 1 1 7 CYS SG S 3.045 7.811 7.939 1.00 . A A . 7 CYS SG 1 1
11 1156 1 1 8 ALA C C -1.824 9.007 3.607 1.00 . A A . 8 ALA C 1 1
11 1157 1 1 8 ALA CA C -0.859 8.010 2.971 1.00 . A A . 8 ALA CA 1 1
11 1158 1 1 8 ALA CB C -1.651 6.937 2.231 1.00 . A A . 8 ALA CB 1 1
11 1159 1 1 8 ALA H H 0.340 6.486 3.811 1.00 . A A . 8 ALA H 1 1
11 1160 1 1 8 ALA HA H -0.227 8.528 2.267 1.00 . A A . 8 ALA HA 1 1
11 1161 1 1 8 ALA HB1 H -2.368 7.407 1.577 1.00 . A A . 8 ALA HB1 1 1
11 1162 1 1 8 ALA HB2 H -2.168 6.317 2.949 1.00 . A A . 8 ALA HB2 1 1
11 1163 1 1 8 ALA HB3 H -0.975 6.328 1.651 1.00 . A A . 8 ALA HB3 1 1
11 1164 1 1 8 ALA N N -0.028 7.376 3.984 1.00 . A A . 8 ALA N 1 1
11 1165 1 1 8 ALA O O -1.436 10.150 3.777 1.00 . A A . 8 ALA O 1 1
11 1166 1 1 8 ALA OXT O -2.936 8.611 3.915 1.00 . A A . 8 ALA OXT 1 1
12 1167 1 1 1 PHE C C 10.102 4.274 7.890 1.00 . A A . 1 PHE C 1 1
12 1168 1 1 1 PHE CA C 11.081 3.542 6.976 1.00 . A A . 1 PHE CA 1 1
12 1169 1 1 1 PHE CB C 11.507 4.459 5.828 1.00 . A A . 1 PHE CB 1 1
12 1170 1 1 1 PHE CD1 C 14.017 4.672 5.922 1.00 . A A . 1 PHE CD1 1 1
12 1171 1 1 1 PHE CD2 C 12.661 6.439 6.882 1.00 . A A . 1 PHE CD2 1 1
12 1172 1 1 1 PHE CE1 C 15.178 5.365 6.285 1.00 . A A . 1 PHE CE1 1 1
12 1173 1 1 1 PHE CE2 C 13.822 7.132 7.245 1.00 . A A . 1 PHE CE2 1 1
12 1174 1 1 1 PHE CG C 12.758 5.209 6.220 1.00 . A A . 1 PHE CG 1 1
12 1175 1 1 1 PHE CZ C 15.080 6.596 6.947 1.00 . A A . 1 PHE CZ 1 1
12 1176 1 1 1 PHE H1 H 9.578 2.100 6.978 1.00 . A A . 1 PHE H1 1 1
12 1177 1 1 1 PHE H2 H 11.090 1.524 6.462 1.00 . A A . 1 PHE H2 1 1
12 1178 1 1 1 PHE H3 H 10.152 2.497 5.433 1.00 . A A . 1 PHE H3 1 1
12 1179 1 1 1 PHE HA H 11.952 3.252 7.545 1.00 . A A . 1 PHE HA 1 1
12 1180 1 1 1 PHE HB2 H 11.702 3.866 4.947 1.00 . A A . 1 PHE HB2 1 1
12 1181 1 1 1 PHE HB3 H 10.716 5.165 5.618 1.00 . A A . 1 PHE HB3 1 1
12 1182 1 1 1 PHE HD1 H 14.092 3.723 5.411 1.00 . A A . 1 PHE HD1 1 1
12 1183 1 1 1 PHE HD2 H 11.690 6.852 7.112 1.00 . A A . 1 PHE HD2 1 1
12 1184 1 1 1 PHE HE1 H 16.148 4.950 6.055 1.00 . A A . 1 PHE HE1 1 1
12 1185 1 1 1 PHE HE2 H 13.746 8.081 7.755 1.00 . A A . 1 PHE HE2 1 1
12 1186 1 1 1 PHE HZ H 15.977 7.130 7.227 1.00 . A A . 1 PHE HZ 1 1
12 1187 1 1 1 PHE N N 10.426 2.325 6.421 1.00 . A A . 1 PHE N 1 1
12 1188 1 1 1 PHE O O 10.501 5.118 8.692 1.00 . A A . 1 PHE O 1 1
12 1189 1 1 2 DHA C C 6.752 5.144 7.791 1.00 . A A . 2 DHA C 1 1
12 1190 1 1 2 DHA CA C 7.859 4.575 8.571 1.00 . A A . 2 DHA CA 1 1
12 1191 1 1 2 DHA CB C 7.846 4.732 9.889 1.00 . A A . 2 DHA CB 1 1
12 1192 1 1 2 DHA H H 8.474 3.276 7.134 1.00 . A A . 2 DHA H 1 1
12 1193 1 1 2 DHA HB1 H 8.631 4.344 10.474 1.00 . A A . 2 DHA HB1 1 1
12 1194 1 1 2 DHA HB2 H 7.028 5.251 10.368 1.00 . A A . 2 DHA HB2 1 1
12 1195 1 1 2 DHA N N 8.802 3.946 7.769 1.00 . A A . 2 DHA N 1 1
12 1196 1 1 2 DHA O O 5.937 4.456 7.177 1.00 . A A . 2 DHA O 1 1
12 1197 1 1 3 DAL C C 5.709 7.090 5.674 1.00 . A A . 3 DAL C 1 1
12 1198 1 1 3 DAL CA C 5.590 7.150 7.203 1.00 . A A . 3 DAL CA 1 1
12 1199 1 1 3 DAL CB C 4.284 6.524 7.685 1.00 . A A . 3 DAL CB 1 1
12 1200 1 1 3 DAL H H 7.308 6.997 8.398 1.00 . A A . 3 DAL H 1 1
12 1201 1 1 3 DAL HA H 5.601 8.174 7.507 1.00 . A A . 3 DAL HA 1 1
12 1202 1 1 3 DAL HB1 H 4.463 6.012 8.620 1.00 . A A . 3 DAL HB1 1 1
12 1203 1 1 3 DAL HB2 H 3.941 5.816 6.961 1.00 . A A . 3 DAL HB2 1 1
12 1204 1 1 3 DAL N N 6.673 6.473 7.867 1.00 . A A . 3 DAL N 1 1
12 1205 1 1 3 DAL O O 5.100 7.896 4.973 1.00 . A A . 3 DAL O 1 1
12 1206 1 1 4 LEU C C 5.761 5.031 3.058 1.00 . A A . 4 LEU C 1 1
12 1207 1 1 4 LEU CA C 6.684 6.074 3.698 1.00 . A A . 4 LEU CA 1 1
12 1208 1 1 4 LEU CB C 8.149 5.773 3.335 1.00 . A A . 4 LEU CB 1 1
12 1209 1 1 4 LEU CD1 C 8.058 3.989 5.082 1.00 . A A . 4 LEU CD1 1 1
12 1210 1 1 4 LEU CD2 C 7.834 3.368 2.672 1.00 . A A . 4 LEU CD2 1 1
12 1211 1 1 4 LEU CG C 8.510 4.319 3.664 1.00 . A A . 4 LEU CG 1 1
12 1212 1 1 4 LEU H H 7.006 5.559 5.744 1.00 . A A . 4 LEU H 1 1
12 1213 1 1 4 LEU HA H 6.432 7.037 3.277 1.00 . A A . 4 LEU HA 1 1
12 1214 1 1 4 LEU HB2 H 8.295 5.944 2.279 1.00 . A A . 4 LEU HB2 1 1
12 1215 1 1 4 LEU HB3 H 8.795 6.434 3.893 1.00 . A A . 4 LEU HB3 1 1
12 1216 1 1 4 LEU HD11 H 8.423 4.748 5.754 1.00 . A A . 4 LEU HD11 1 1
12 1217 1 1 4 LEU HD12 H 8.459 3.028 5.373 1.00 . A A . 4 LEU HD12 1 1
12 1218 1 1 4 LEU HD13 H 6.980 3.957 5.122 1.00 . A A . 4 LEU HD13 1 1
12 1219 1 1 4 LEU HD21 H 7.534 3.918 1.793 1.00 . A A . 4 LEU HD21 1 1
12 1220 1 1 4 LEU HD22 H 6.964 2.923 3.134 1.00 . A A . 4 LEU HD22 1 1
12 1221 1 1 4 LEU HD23 H 8.528 2.591 2.390 1.00 . A A . 4 LEU HD23 1 1
12 1222 1 1 4 LEU HG H 9.582 4.200 3.598 1.00 . A A . 4 LEU HG 1 1
12 1223 1 1 4 LEU N N 6.512 6.163 5.153 1.00 . A A . 4 LEU N 1 1
12 1224 1 1 4 LEU O O 5.621 4.997 1.834 1.00 . A A . 4 LEU O 1 1
12 1225 1 1 5 DHA C C 3.115 2.962 4.163 1.00 . A A . 5 DHA C 1 1
12 1226 1 1 5 DHA CA C 4.257 3.217 3.315 1.00 . A A . 5 DHA CA 1 1
12 1227 1 1 5 DHA CB C 4.342 2.583 2.174 1.00 . A A . 5 DHA CB 1 1
12 1228 1 1 5 DHA H H 5.194 4.183 4.844 1.00 . A A . 5 DHA H 1 1
12 1229 1 1 5 DHA HB1 H 5.150 2.768 1.551 1.00 . A A . 5 DHA HB1 1 1
12 1230 1 1 5 DHA HB2 H 3.587 1.865 1.886 1.00 . A A . 5 DHA HB2 1 1
12 1231 1 1 5 DHA N N 5.110 4.172 3.870 1.00 . A A . 5 DHA N 1 1
12 1232 1 1 5 DHA O O 3.082 2.019 4.935 1.00 . A A . 5 DHA O 1 1
12 1233 1 1 6 LEU C C 0.401 5.100 5.134 1.00 . A A . 6 LEU C 1 1
12 1234 1 1 6 LEU CA C 0.880 3.718 4.732 1.00 . A A . 6 LEU CA 1 1
12 1235 1 1 6 LEU CB C 1.080 2.871 5.990 1.00 . A A . 6 LEU CB 1 1
12 1236 1 1 6 LEU CD1 C 1.718 4.128 8.056 1.00 . A A . 6 LEU CD1 1 1
12 1237 1 1 6 LEU CD2 C 3.200 2.276 7.272 1.00 . A A . 6 LEU CD2 1 1
12 1238 1 1 6 LEU CG C 2.263 3.413 6.820 1.00 . A A . 6 LEU CG 1 1
12 1239 1 1 6 LEU H H 2.212 4.541 3.308 1.00 . A A . 6 LEU H 1 1
12 1240 1 1 6 LEU HA H 0.142 3.253 4.107 1.00 . A A . 6 LEU HA 1 1
12 1241 1 1 6 LEU HB2 H 0.182 2.917 6.586 1.00 . A A . 6 LEU HB2 1 1
12 1242 1 1 6 LEU HB3 H 1.265 1.858 5.696 1.00 . A A . 6 LEU HB3 1 1
12 1243 1 1 6 LEU HD11 H 2.536 4.564 8.609 1.00 . A A . 6 LEU HD11 1 1
12 1244 1 1 6 LEU HD12 H 1.199 3.416 8.682 1.00 . A A . 6 LEU HD12 1 1
12 1245 1 1 6 LEU HD13 H 1.034 4.906 7.751 1.00 . A A . 6 LEU HD13 1 1
12 1246 1 1 6 LEU HD21 H 3.339 2.328 8.339 1.00 . A A . 6 LEU HD21 1 1
12 1247 1 1 6 LEU HD22 H 4.161 2.391 6.785 1.00 . A A . 6 LEU HD22 1 1
12 1248 1 1 6 LEU HD23 H 2.781 1.319 7.009 1.00 . A A . 6 LEU HD23 1 1
12 1249 1 1 6 LEU HG H 2.820 4.116 6.228 1.00 . A A . 6 LEU HG 1 1
12 1250 1 1 6 LEU N N 2.122 3.828 3.977 1.00 . A A . 6 LEU N 1 1
12 1251 1 1 6 LEU O O -0.758 5.467 4.939 1.00 . A A . 6 LEU O 1 1
12 1252 1 1 7 CYS C C 0.194 7.956 5.152 1.00 . A A . 7 CYS C 1 1
12 1253 1 1 7 CYS CA C 1.084 7.208 6.135 1.00 . A A . 7 CYS CA 1 1
12 1254 1 1 7 CYS CB C 2.439 7.885 6.240 1.00 . A A . 7 CYS CB 1 1
12 1255 1 1 7 CYS H H 2.224 5.482 5.799 1.00 . A A . 7 CYS H 1 1
12 1256 1 1 7 CYS HA H 0.613 7.193 7.100 1.00 . A A . 7 CYS HA 1 1
12 1257 1 1 7 CYS HB2 H 3.124 7.347 5.606 1.00 . A A . 7 CYS HB2 1 1
12 1258 1 1 7 CYS HB3 H 2.370 8.912 5.919 1.00 . A A . 7 CYS HB3 1 1
12 1259 1 1 7 CYS N N 1.328 5.851 5.691 1.00 . A A . 7 CYS N 1 1
12 1260 1 1 7 CYS O O -0.309 9.039 5.453 1.00 . A A . 7 CYS O 1 1
12 1261 1 1 7 CYS SG S 3.035 7.813 7.942 1.00 . A A . 7 CYS SG 1 1
12 1262 1 1 8 ALA C C -1.867 8.900 3.573 1.00 . A A . 8 ALA C 1 1
12 1263 1 1 8 ALA CA C -0.828 7.971 2.954 1.00 . A A . 8 ALA CA 1 1
12 1264 1 1 8 ALA CB C -1.530 6.868 2.172 1.00 . A A . 8 ALA CB 1 1
12 1265 1 1 8 ALA H H 0.431 6.504 3.804 1.00 . A A . 8 ALA H 1 1
12 1266 1 1 8 ALA HA H -0.204 8.536 2.278 1.00 . A A . 8 ALA HA 1 1
12 1267 1 1 8 ALA HB1 H -0.818 6.095 1.924 1.00 . A A . 8 ALA HB1 1 1
12 1268 1 1 8 ALA HB2 H -1.950 7.279 1.268 1.00 . A A . 8 ALA HB2 1 1
12 1269 1 1 8 ALA HB3 H -2.320 6.448 2.780 1.00 . A A . 8 ALA HB3 1 1
12 1270 1 1 8 ALA N N 0.004 7.367 3.981 1.00 . A A . 8 ALA N 1 1
12 1271 1 1 8 ALA O O -2.788 8.395 4.196 1.00 . A A . 8 ALA O 1 1
12 1272 1 1 8 ALA OXT O -1.728 10.102 3.414 1.00 . A A . 8 ALA OXT 1 1
13 1273 1 1 1 PHE C C 8.978 2.532 7.548 1.00 . A A . 1 PHE C 1 1
13 1274 1 1 1 PHE CA C 9.826 1.846 6.484 1.00 . A A . 1 PHE CA 1 1
13 1275 1 1 1 PHE CB C 9.529 0.346 6.476 1.00 . A A . 1 PHE CB 1 1
13 1276 1 1 1 PHE CD1 C 8.224 -0.431 4.463 1.00 . A A . 1 PHE CD1 1 1
13 1277 1 1 1 PHE CD2 C 10.643 -0.320 4.315 1.00 . A A . 1 PHE CD2 1 1
13 1278 1 1 1 PHE CE1 C 8.163 -0.888 3.141 1.00 . A A . 1 PHE CE1 1 1
13 1279 1 1 1 PHE CE2 C 10.582 -0.777 2.993 1.00 . A A . 1 PHE CE2 1 1
13 1280 1 1 1 PHE CG C 9.464 -0.147 5.050 1.00 . A A . 1 PHE CG 1 1
13 1281 1 1 1 PHE CZ C 9.342 -1.062 2.406 1.00 . A A . 1 PHE CZ 1 1
13 1282 1 1 1 PHE H1 H 11.435 3.070 6.976 1.00 . A A . 1 PHE H1 1 1
13 1283 1 1 1 PHE H2 H 11.840 1.771 5.961 1.00 . A A . 1 PHE H2 1 1
13 1284 1 1 1 PHE H3 H 11.542 1.502 7.612 1.00 . A A . 1 PHE H3 1 1
13 1285 1 1 1 PHE HA H 9.591 2.263 5.515 1.00 . A A . 1 PHE HA 1 1
13 1286 1 1 1 PHE HB2 H 10.311 -0.179 7.004 1.00 . A A . 1 PHE HB2 1 1
13 1287 1 1 1 PHE HB3 H 8.581 0.164 6.963 1.00 . A A . 1 PHE HB3 1 1
13 1288 1 1 1 PHE HD1 H 7.314 -0.296 5.029 1.00 . A A . 1 PHE HD1 1 1
13 1289 1 1 1 PHE HD2 H 11.598 -0.101 4.766 1.00 . A A . 1 PHE HD2 1 1
13 1290 1 1 1 PHE HE1 H 7.208 -1.107 2.689 1.00 . A A . 1 PHE HE1 1 1
13 1291 1 1 1 PHE HE2 H 11.491 -0.912 2.425 1.00 . A A . 1 PHE HE2 1 1
13 1292 1 1 1 PHE HZ H 9.296 -1.414 1.386 1.00 . A A . 1 PHE HZ 1 1
13 1293 1 1 1 PHE N N 11.269 2.064 6.781 1.00 . A A . 1 PHE N 1 1
13 1294 1 1 1 PHE O O 8.560 1.905 8.523 1.00 . A A . 1 PHE O 1 1
13 1295 1 1 2 DHA C C 6.781 5.149 7.662 1.00 . A A . 2 DHA C 1 1
13 1296 1 1 2 DHA CA C 7.951 4.530 8.291 1.00 . A A . 2 DHA CA 1 1
13 1297 1 1 2 DHA CB C 8.147 4.701 9.595 1.00 . A A . 2 DHA CB 1 1
13 1298 1 1 2 DHA H H 9.047 4.341 6.590 1.00 . A A . 2 DHA H 1 1
13 1299 1 1 2 DHA HB1 H 8.989 4.272 10.061 1.00 . A A . 2 DHA HB1 1 1
13 1300 1 1 2 DHA HB2 H 7.445 5.272 10.185 1.00 . A A . 2 DHA HB2 1 1
13 1301 1 1 2 DHA N N 8.718 3.836 7.363 1.00 . A A . 2 DHA N 1 1
13 1302 1 1 2 DHA O O 5.896 4.496 7.108 1.00 . A A . 2 DHA O 1 1
13 1303 1 1 3 DAL C C 5.683 7.131 5.675 1.00 . A A . 3 DAL C 1 1
13 1304 1 1 3 DAL CA C 5.626 7.181 7.203 1.00 . A A . 3 DAL CA 1 1
13 1305 1 1 3 DAL CB C 4.341 6.555 7.746 1.00 . A A . 3 DAL CB 1 1
13 1306 1 1 3 DAL H H 7.450 6.982 8.220 1.00 . A A . 3 DAL H 1 1
13 1307 1 1 3 DAL HA H 5.674 8.200 7.521 1.00 . A A . 3 DAL HA 1 1
13 1308 1 1 3 DAL HB1 H 4.546 6.110 8.709 1.00 . A A . 3 DAL HB1 1 1
13 1309 1 1 3 DAL HB2 H 4.000 5.792 7.075 1.00 . A A . 3 DAL HB2 1 1
13 1310 1 1 3 DAL N N 6.745 6.476 7.764 1.00 . A A . 3 DAL N 1 1
13 1311 1 1 3 DAL O O 5.061 7.943 4.991 1.00 . A A . 3 DAL O 1 1
13 1312 1 1 4 LEU C C 5.750 5.016 3.074 1.00 . A A . 4 LEU C 1 1
13 1313 1 1 4 LEU CA C 6.653 6.088 3.697 1.00 . A A . 4 LEU CA 1 1
13 1314 1 1 4 LEU CB C 8.113 5.765 3.380 1.00 . A A . 4 LEU CB 1 1
13 1315 1 1 4 LEU CD1 C 8.404 7.483 1.588 1.00 . A A . 4 LEU CD1 1 1
13 1316 1 1 4 LEU CD2 C 8.514 8.154 3.991 1.00 . A A . 4 LEU CD2 1 1
13 1317 1 1 4 LEU CG C 8.846 7.048 2.986 1.00 . A A . 4 LEU CG 1 1
13 1318 1 1 4 LEU H H 6.991 5.614 5.743 1.00 . A A . 4 LEU H 1 1
13 1319 1 1 4 LEU HA H 6.412 7.040 3.247 1.00 . A A . 4 LEU HA 1 1
13 1320 1 1 4 LEU HB2 H 8.583 5.333 4.252 1.00 . A A . 4 LEU HB2 1 1
13 1321 1 1 4 LEU HB3 H 8.157 5.062 2.562 1.00 . A A . 4 LEU HB3 1 1
13 1322 1 1 4 LEU HD11 H 9.216 7.337 0.892 1.00 . A A . 4 LEU HD11 1 1
13 1323 1 1 4 LEU HD12 H 8.130 8.528 1.606 1.00 . A A . 4 LEU HD12 1 1
13 1324 1 1 4 LEU HD13 H 7.554 6.894 1.279 1.00 . A A . 4 LEU HD13 1 1
13 1325 1 1 4 LEU HD21 H 7.721 8.772 3.596 1.00 . A A . 4 LEU HD21 1 1
13 1326 1 1 4 LEU HD22 H 9.390 8.761 4.162 1.00 . A A . 4 LEU HD22 1 1
13 1327 1 1 4 LEU HD23 H 8.196 7.711 4.922 1.00 . A A . 4 LEU HD23 1 1
13 1328 1 1 4 LEU HG H 9.912 6.868 2.986 1.00 . A A . 4 LEU HG 1 1
13 1329 1 1 4 LEU N N 6.480 6.204 5.147 1.00 . A A . 4 LEU N 1 1
13 1330 1 1 4 LEU O O 5.642 4.935 1.850 1.00 . A A . 4 LEU O 1 1
13 1331 1 1 5 DHA C C 3.099 2.965 4.185 1.00 . A A . 5 DHA C 1 1
13 1332 1 1 5 DHA CA C 4.263 3.199 3.361 1.00 . A A . 5 DHA CA 1 1
13 1333 1 1 5 DHA CB C 4.386 2.519 2.251 1.00 . A A . 5 DHA CB 1 1
13 1334 1 1 5 DHA H H 5.156 4.225 4.876 1.00 . A A . 5 DHA H 1 1
13 1335 1 1 5 DHA HB1 H 5.210 2.688 1.645 1.00 . A A . 5 DHA HB1 1 1
13 1336 1 1 5 DHA HB2 H 3.647 1.784 1.969 1.00 . A A . 5 DHA HB2 1 1
13 1337 1 1 5 DHA N N 5.091 4.182 3.901 1.00 . A A . 5 DHA N 1 1
13 1338 1 1 5 DHA O O 3.051 2.043 4.978 1.00 . A A . 5 DHA O 1 1
13 1339 1 1 6 LEU C C 0.381 5.106 5.102 1.00 . A A . 6 LEU C 1 1
13 1340 1 1 6 LEU CA C 0.839 3.723 4.668 1.00 . A A . 6 LEU CA 1 1
13 1341 1 1 6 LEU CB C 0.980 2.841 5.911 1.00 . A A . 6 LEU CB 1 1
13 1342 1 1 6 LEU CD1 C 1.503 4.073 8.025 1.00 . A A . 6 LEU CD1 1 1
13 1343 1 1 6 LEU CD2 C 3.020 2.222 7.311 1.00 . A A . 6 LEU CD2 1 1
13 1344 1 1 6 LEU CG C 2.115 3.368 6.815 1.00 . A A . 6 LEU CG 1 1
13 1345 1 1 6 LEU H H 2.208 4.513 3.258 1.00 . A A . 6 LEU H 1 1
13 1346 1 1 6 LEU HA H 0.105 3.294 4.011 1.00 . A A . 6 LEU HA 1 1
13 1347 1 1 6 LEU HB2 H 0.052 2.868 6.463 1.00 . A A . 6 LEU HB2 1 1
13 1348 1 1 6 LEU HB3 H 1.185 1.836 5.602 1.00 . A A . 6 LEU HB3 1 1
13 1349 1 1 6 LEU HD11 H 2.236 4.732 8.467 1.00 . A A . 6 LEU HD11 1 1
13 1350 1 1 6 LEU HD12 H 1.197 3.337 8.753 1.00 . A A . 6 LEU HD12 1 1
13 1351 1 1 6 LEU HD13 H 0.645 4.648 7.711 1.00 . A A . 6 LEU HD13 1 1
13 1352 1 1 6 LEU HD21 H 4.013 2.350 6.900 1.00 . A A . 6 LEU HD21 1 1
13 1353 1 1 6 LEU HD22 H 2.624 1.271 6.993 1.00 . A A . 6 LEU HD22 1 1
13 1354 1 1 6 LEU HD23 H 3.075 2.246 8.385 1.00 . A A . 6 LEU HD23 1 1
13 1355 1 1 6 LEU HG H 2.712 4.077 6.265 1.00 . A A . 6 LEU HG 1 1
13 1356 1 1 6 LEU N N 2.104 3.820 3.946 1.00 . A A . 6 LEU N 1 1
13 1357 1 1 6 LEU O O -0.775 5.492 4.930 1.00 . A A . 6 LEU O 1 1
13 1358 1 1 7 CYS C C 0.199 7.978 5.236 1.00 . A A . 7 CYS C 1 1
13 1359 1 1 7 CYS CA C 1.114 7.176 6.153 1.00 . A A . 7 CYS CA 1 1
13 1360 1 1 7 CYS CB C 2.482 7.826 6.233 1.00 . A A . 7 CYS CB 1 1
13 1361 1 1 7 CYS H H 2.214 5.440 5.754 1.00 . A A . 7 CYS H 1 1
13 1362 1 1 7 CYS HA H 0.686 7.138 7.133 1.00 . A A . 7 CYS HA 1 1
13 1363 1 1 7 CYS HB2 H 3.159 7.240 5.633 1.00 . A A . 7 CYS HB2 1 1
13 1364 1 1 7 CYS HB3 H 2.440 8.837 5.859 1.00 . A A . 7 CYS HB3 1 1
13 1365 1 1 7 CYS N N 1.325 5.829 5.665 1.00 . A A . 7 CYS N 1 1
13 1366 1 1 7 CYS O O -0.601 8.792 5.698 1.00 . A A . 7 CYS O 1 1
13 1367 1 1 7 CYS SG S 3.064 7.828 7.942 1.00 . A A . 7 CYS SG 1 1
13 1368 1 1 8 ALA C C -0.802 7.577 1.769 1.00 . A A . 8 ALA C 1 1
13 1369 1 1 8 ALA CA C -0.488 8.465 2.969 1.00 . A A . 8 ALA CA 1 1
13 1370 1 1 8 ALA CB C 0.251 9.721 2.504 1.00 . A A . 8 ALA CB 1 1
13 1371 1 1 8 ALA H H 0.987 7.095 3.636 1.00 . A A . 8 ALA H 1 1
13 1372 1 1 8 ALA HA H -1.413 8.762 3.438 1.00 . A A . 8 ALA HA 1 1
13 1373 1 1 8 ALA HB1 H 0.312 10.424 3.322 1.00 . A A . 8 ALA HB1 1 1
13 1374 1 1 8 ALA HB2 H -0.284 10.170 1.681 1.00 . A A . 8 ALA HB2 1 1
13 1375 1 1 8 ALA HB3 H 1.248 9.454 2.185 1.00 . A A . 8 ALA HB3 1 1
13 1376 1 1 8 ALA N N 0.328 7.751 3.941 1.00 . A A . 8 ALA N 1 1
13 1377 1 1 8 ALA O O -1.906 7.676 1.258 1.00 . A A . 8 ALA O 1 1
13 1378 1 1 8 ALA OXT O 0.065 6.813 1.379 1.00 . A A . 8 ALA OXT 1 1
14 1379 1 1 1 PHE C C 8.608 2.759 6.821 1.00 . A A . 1 PHE C 1 1
14 1380 1 1 1 PHE CA C 9.607 2.206 5.810 1.00 . A A . 1 PHE CA 1 1
14 1381 1 1 1 PHE CB C 8.870 1.398 4.740 1.00 . A A . 1 PHE CB 1 1
14 1382 1 1 1 PHE CD1 C 11.028 0.594 3.714 1.00 . A A . 1 PHE CD1 1 1
14 1383 1 1 1 PHE CD2 C 9.330 -1.040 4.288 1.00 . A A . 1 PHE CD2 1 1
14 1384 1 1 1 PHE CE1 C 11.857 -0.432 3.246 1.00 . A A . 1 PHE CE1 1 1
14 1385 1 1 1 PHE CE2 C 10.160 -2.067 3.819 1.00 . A A . 1 PHE CE2 1 1
14 1386 1 1 1 PHE CG C 9.763 0.290 4.235 1.00 . A A . 1 PHE CG 1 1
14 1387 1 1 1 PHE CZ C 11.423 -1.763 3.298 1.00 . A A . 1 PHE CZ 1 1
14 1388 1 1 1 PHE H1 H 10.882 0.559 5.872 1.00 . A A . 1 PHE H1 1 1
14 1389 1 1 1 PHE H2 H 10.136 0.913 7.357 1.00 . A A . 1 PHE H2 1 1
14 1390 1 1 1 PHE H3 H 11.416 1.880 6.792 1.00 . A A . 1 PHE H3 1 1
14 1391 1 1 1 PHE HA H 10.136 3.025 5.343 1.00 . A A . 1 PHE HA 1 1
14 1392 1 1 1 PHE HB2 H 7.973 0.972 5.165 1.00 . A A . 1 PHE HB2 1 1
14 1393 1 1 1 PHE HB3 H 8.605 2.047 3.919 1.00 . A A . 1 PHE HB3 1 1
14 1394 1 1 1 PHE HD1 H 11.362 1.619 3.673 1.00 . A A . 1 PHE HD1 1 1
14 1395 1 1 1 PHE HD2 H 8.355 -1.276 4.690 1.00 . A A . 1 PHE HD2 1 1
14 1396 1 1 1 PHE HE1 H 12.831 -0.198 2.843 1.00 . A A . 1 PHE HE1 1 1
14 1397 1 1 1 PHE HE2 H 9.826 -3.094 3.860 1.00 . A A . 1 PHE HE2 1 1
14 1398 1 1 1 PHE HZ H 12.064 -2.554 2.937 1.00 . A A . 1 PHE HZ 1 1
14 1399 1 1 1 PHE N N 10.584 1.323 6.511 1.00 . A A . 1 PHE N 1 1
14 1400 1 1 1 PHE O O 7.612 2.110 7.143 1.00 . A A . 1 PHE O 1 1
14 1401 1 1 2 DHA C C 6.849 5.157 7.599 1.00 . A A . 2 DHA C 1 1
14 1402 1 1 2 DHA CA C 8.009 4.546 8.254 1.00 . A A . 2 DHA CA 1 1
14 1403 1 1 2 DHA CB C 8.110 4.618 9.577 1.00 . A A . 2 DHA CB 1 1
14 1404 1 1 2 DHA H H 9.664 4.497 7.077 1.00 . A A . 2 DHA H 1 1
14 1405 1 1 2 DHA HB1 H 8.944 4.196 10.065 1.00 . A A . 2 DHA HB1 1 1
14 1406 1 1 2 DHA HB2 H 7.339 5.102 10.160 1.00 . A A . 2 DHA HB2 1 1
14 1407 1 1 2 DHA N N 8.874 3.974 7.328 1.00 . A A . 2 DHA N 1 1
14 1408 1 1 2 DHA O O 6.023 4.508 6.956 1.00 . A A . 2 DHA O 1 1
14 1409 1 1 3 DAL C C 5.694 7.128 5.683 1.00 . A A . 3 DAL C 1 1
14 1410 1 1 3 DAL CA C 5.635 7.174 7.213 1.00 . A A . 3 DAL CA 1 1
14 1411 1 1 3 DAL CB C 4.343 6.550 7.744 1.00 . A A . 3 DAL CB 1 1
14 1412 1 1 3 DAL H H 7.409 6.969 8.317 1.00 . A A . 3 DAL H 1 1
14 1413 1 1 3 DAL HA H 5.679 8.192 7.532 1.00 . A A . 3 DAL HA 1 1
14 1414 1 1 3 DAL HB1 H 4.538 6.105 8.709 1.00 . A A . 3 DAL HB1 1 1
14 1415 1 1 3 DAL HB2 H 4.007 5.787 7.069 1.00 . A A . 3 DAL HB2 1 1
14 1416 1 1 3 DAL N N 6.752 6.472 7.786 1.00 . A A . 3 DAL N 1 1
14 1417 1 1 3 DAL O O 5.069 7.941 5.003 1.00 . A A . 3 DAL O 1 1
14 1418 1 1 4 LEU C C 5.745 5.025 3.075 1.00 . A A . 4 LEU C 1 1
14 1419 1 1 4 LEU CA C 6.651 6.098 3.695 1.00 . A A . 4 LEU CA 1 1
14 1420 1 1 4 LEU CB C 8.110 5.787 3.361 1.00 . A A . 4 LEU CB 1 1
14 1421 1 1 4 LEU CD1 C 8.364 7.504 1.562 1.00 . A A . 4 LEU CD1 1 1
14 1422 1 1 4 LEU CD2 C 8.495 8.182 3.964 1.00 . A A . 4 LEU CD2 1 1
14 1423 1 1 4 LEU CG C 8.827 7.077 2.957 1.00 . A A . 4 LEU CG 1 1
14 1424 1 1 4 LEU H H 7.004 5.608 5.734 1.00 . A A . 4 LEU H 1 1
14 1425 1 1 4 LEU HA H 6.398 7.049 3.254 1.00 . A A . 4 LEU HA 1 1
14 1426 1 1 4 LEU HB2 H 8.595 5.362 4.228 1.00 . A A . 4 LEU HB2 1 1
14 1427 1 1 4 LEU HB3 H 8.152 5.084 2.543 1.00 . A A . 4 LEU HB3 1 1
14 1428 1 1 4 LEU HD11 H 7.454 6.981 1.309 1.00 . A A . 4 LEU HD11 1 1
14 1429 1 1 4 LEU HD12 H 9.130 7.264 0.839 1.00 . A A . 4 LEU HD12 1 1
14 1430 1 1 4 LEU HD13 H 8.182 8.569 1.553 1.00 . A A . 4 LEU HD13 1 1
14 1431 1 1 4 LEU HD21 H 8.156 7.738 4.888 1.00 . A A . 4 LEU HD21 1 1
14 1432 1 1 4 LEU HD22 H 7.716 8.813 3.562 1.00 . A A . 4 LEU HD22 1 1
14 1433 1 1 4 LEU HD23 H 9.378 8.775 4.151 1.00 . A A . 4 LEU HD23 1 1
14 1434 1 1 4 LEU HG H 9.894 6.908 2.946 1.00 . A A . 4 LEU HG 1 1
14 1435 1 1 4 LEU N N 6.491 6.203 5.146 1.00 . A A . 4 LEU N 1 1
14 1436 1 1 4 LEU O O 5.632 4.947 1.852 1.00 . A A . 4 LEU O 1 1
14 1437 1 1 5 DHA C C 3.097 2.973 4.194 1.00 . A A . 5 DHA C 1 1
14 1438 1 1 5 DHA CA C 4.256 3.209 3.365 1.00 . A A . 5 DHA CA 1 1
14 1439 1 1 5 DHA CB C 4.372 2.533 2.252 1.00 . A A . 5 DHA CB 1 1
14 1440 1 1 5 DHA H H 5.157 4.231 4.876 1.00 . A A . 5 DHA H 1 1
14 1441 1 1 5 DHA HB1 H 5.193 2.702 1.644 1.00 . A A . 5 DHA HB1 1 1
14 1442 1 1 5 DHA HB2 H 3.631 1.800 1.973 1.00 . A A . 5 DHA HB2 1 1
14 1443 1 1 5 DHA N N 5.088 4.189 3.903 1.00 . A A . 5 DHA N 1 1
14 1444 1 1 5 DHA O O 3.060 2.060 4.997 1.00 . A A . 5 DHA O 1 1
14 1445 1 1 6 LEU C C 0.379 5.097 5.110 1.00 . A A . 6 LEU C 1 1
14 1446 1 1 6 LEU CA C 0.830 3.714 4.677 1.00 . A A . 6 LEU CA 1 1
14 1447 1 1 6 LEU CB C 0.971 2.830 5.919 1.00 . A A . 6 LEU CB 1 1
14 1448 1 1 6 LEU CD1 C 1.478 4.055 8.044 1.00 . A A . 6 LEU CD1 1 1
14 1449 1 1 6 LEU CD2 C 3.010 2.216 7.323 1.00 . A A . 6 LEU CD2 1 1
14 1450 1 1 6 LEU CG C 2.100 3.360 6.831 1.00 . A A . 6 LEU CG 1 1
14 1451 1 1 6 LEU H H 2.188 4.501 3.253 1.00 . A A . 6 LEU H 1 1
14 1452 1 1 6 LEU HA H 0.094 3.288 4.022 1.00 . A A . 6 LEU HA 1 1
14 1453 1 1 6 LEU HB2 H 0.041 2.850 6.466 1.00 . A A . 6 LEU HB2 1 1
14 1454 1 1 6 LEU HB3 H 1.182 1.826 5.608 1.00 . A A . 6 LEU HB3 1 1
14 1455 1 1 6 LEU HD11 H 1.107 3.312 8.733 1.00 . A A . 6 LEU HD11 1 1
14 1456 1 1 6 LEU HD12 H 0.662 4.685 7.720 1.00 . A A . 6 LEU HD12 1 1
14 1457 1 1 6 LEU HD13 H 2.225 4.661 8.536 1.00 . A A . 6 LEU HD13 1 1
14 1458 1 1 6 LEU HD21 H 4.008 2.363 6.929 1.00 . A A . 6 LEU HD21 1 1
14 1459 1 1 6 LEU HD22 H 2.630 1.265 6.987 1.00 . A A . 6 LEU HD22 1 1
14 1460 1 1 6 LEU HD23 H 3.050 2.226 8.398 1.00 . A A . 6 LEU HD23 1 1
14 1461 1 1 6 LEU HG H 2.695 4.074 6.284 1.00 . A A . 6 LEU HG 1 1
14 1462 1 1 6 LEU N N 2.093 3.814 3.949 1.00 . A A . 6 LEU N 1 1
14 1463 1 1 6 LEU O O -0.776 5.487 4.943 1.00 . A A . 6 LEU O 1 1
14 1464 1 1 7 CYS C C 0.225 7.958 5.185 1.00 . A A . 7 CYS C 1 1
14 1465 1 1 7 CYS CA C 1.123 7.172 6.132 1.00 . A A . 7 CYS CA 1 1
14 1466 1 1 7 CYS CB C 2.496 7.813 6.214 1.00 . A A . 7 CYS CB 1 1
14 1467 1 1 7 CYS H H 2.220 5.434 5.741 1.00 . A A . 7 CYS H 1 1
14 1468 1 1 7 CYS HA H 0.681 7.153 7.111 1.00 . A A . 7 CYS HA 1 1
14 1469 1 1 7 CYS HB2 H 3.170 7.215 5.622 1.00 . A A . 7 CYS HB2 1 1
14 1470 1 1 7 CYS HB3 H 2.464 8.820 5.829 1.00 . A A . 7 CYS HB3 1 1
14 1471 1 1 7 CYS N N 1.329 5.822 5.658 1.00 . A A . 7 CYS N 1 1
14 1472 1 1 7 CYS O O -0.270 9.031 5.530 1.00 . A A . 7 CYS O 1 1
14 1473 1 1 7 CYS SG S 3.068 7.826 7.926 1.00 . A A . 7 CYS SG 1 1
14 1474 1 1 8 ALA C C -1.547 7.053 2.146 1.00 . A A . 8 ALA C 1 1
14 1475 1 1 8 ALA CA C -0.813 8.080 3.003 1.00 . A A . 8 ALA CA 1 1
14 1476 1 1 8 ALA CB C 0.057 8.969 2.118 1.00 . A A . 8 ALA CB 1 1
14 1477 1 1 8 ALA H H 0.444 6.563 3.771 1.00 . A A . 8 ALA H 1 1
14 1478 1 1 8 ALA HA H -1.538 8.697 3.511 1.00 . A A . 8 ALA HA 1 1
14 1479 1 1 8 ALA HB1 H 0.668 9.607 2.742 1.00 . A A . 8 ALA HB1 1 1
14 1480 1 1 8 ALA HB2 H -0.573 9.578 1.488 1.00 . A A . 8 ALA HB2 1 1
14 1481 1 1 8 ALA HB3 H 0.694 8.351 1.504 1.00 . A A . 8 ALA HB3 1 1
14 1482 1 1 8 ALA N N 0.022 7.418 3.992 1.00 . A A . 8 ALA N 1 1
14 1483 1 1 8 ALA O O -2.756 6.954 2.280 1.00 . A A . 8 ALA O 1 1
14 1484 1 1 8 ALA OXT O -0.889 6.381 1.368 1.00 . A A . 8 ALA OXT 1 1
15 1485 1 1 1 PHE C C 9.735 3.051 7.956 1.00 . A A . 1 PHE C 1 1
15 1486 1 1 1 PHE CA C 10.773 2.528 6.970 1.00 . A A . 1 PHE CA 1 1
15 1487 1 1 1 PHE CB C 10.080 1.827 5.799 1.00 . A A . 1 PHE CB 1 1
15 1488 1 1 1 PHE CD1 C 12.314 1.585 4.659 1.00 . A A . 1 PHE CD1 1 1
15 1489 1 1 1 PHE CD2 C 10.415 2.338 3.351 1.00 . A A . 1 PHE CD2 1 1
15 1490 1 1 1 PHE CE1 C 13.129 1.669 3.524 1.00 . A A . 1 PHE CE1 1 1
15 1491 1 1 1 PHE CE2 C 11.232 2.422 2.216 1.00 . A A . 1 PHE CE2 1 1
15 1492 1 1 1 PHE CG C 10.957 1.919 4.573 1.00 . A A . 1 PHE CG 1 1
15 1493 1 1 1 PHE CZ C 12.588 2.087 2.302 1.00 . A A . 1 PHE CZ 1 1
15 1494 1 1 1 PHE H1 H 12.654 1.722 7.356 1.00 . A A . 1 PHE H1 1 1
15 1495 1 1 1 PHE H2 H 11.389 0.590 7.424 1.00 . A A . 1 PHE H2 1 1
15 1496 1 1 1 PHE H3 H 11.608 1.700 8.691 1.00 . A A . 1 PHE H3 1 1
15 1497 1 1 1 PHE HA H 11.358 3.355 6.596 1.00 . A A . 1 PHE HA 1 1
15 1498 1 1 1 PHE HB2 H 9.914 0.789 6.047 1.00 . A A . 1 PHE HB2 1 1
15 1499 1 1 1 PHE HB3 H 9.133 2.306 5.600 1.00 . A A . 1 PHE HB3 1 1
15 1500 1 1 1 PHE HD1 H 12.732 1.262 5.601 1.00 . A A . 1 PHE HD1 1 1
15 1501 1 1 1 PHE HD2 H 9.369 2.597 3.284 1.00 . A A . 1 PHE HD2 1 1
15 1502 1 1 1 PHE HE1 H 14.176 1.412 3.591 1.00 . A A . 1 PHE HE1 1 1
15 1503 1 1 1 PHE HE2 H 10.815 2.744 1.273 1.00 . A A . 1 PHE HE2 1 1
15 1504 1 1 1 PHE HZ H 13.217 2.152 1.426 1.00 . A A . 1 PHE HZ 1 1
15 1505 1 1 1 PHE N N 11.674 1.562 7.663 1.00 . A A . 1 PHE N 1 1
15 1506 1 1 1 PHE O O 9.640 2.571 9.085 1.00 . A A . 1 PHE O 1 1
15 1507 1 1 2 DHA C C 6.855 5.163 7.638 1.00 . A A . 2 DHA C 1 1
15 1508 1 1 2 DHA CA C 7.980 4.581 8.377 1.00 . A A . 2 DHA CA 1 1
15 1509 1 1 2 DHA CB C 7.963 4.634 9.705 1.00 . A A . 2 DHA CB 1 1
15 1510 1 1 2 DHA H H 9.014 4.443 6.632 1.00 . A A . 2 DHA H 1 1
15 1511 1 1 2 DHA HB1 H 8.765 4.234 10.258 1.00 . A A . 2 DHA HB1 1 1
15 1512 1 1 2 DHA HB2 H 7.128 5.081 10.224 1.00 . A A . 2 DHA HB2 1 1
15 1513 1 1 2 DHA N N 8.945 4.053 7.528 1.00 . A A . 2 DHA N 1 1
15 1514 1 1 2 DHA O O 6.096 4.496 6.935 1.00 . A A . 2 DHA O 1 1
15 1515 1 1 3 DAL C C 5.705 7.100 5.678 1.00 . A A . 3 DAL C 1 1
15 1516 1 1 3 DAL CA C 5.600 7.153 7.205 1.00 . A A . 3 DAL CA 1 1
15 1517 1 1 3 DAL CB C 4.300 6.523 7.699 1.00 . A A . 3 DAL CB 1 1
15 1518 1 1 3 DAL H H 7.299 6.979 8.426 1.00 . A A . 3 DAL H 1 1
15 1519 1 1 3 DAL HA H 5.620 8.174 7.516 1.00 . A A . 3 DAL HA 1 1
15 1520 1 1 3 DAL HB1 H 4.484 6.032 8.644 1.00 . A A . 3 DAL HB1 1 1
15 1521 1 1 3 DAL HB2 H 3.965 5.796 6.988 1.00 . A A . 3 DAL HB2 1 1
15 1522 1 1 3 DAL N N 6.701 6.472 7.836 1.00 . A A . 3 DAL N 1 1
15 1523 1 1 3 DAL O O 5.105 7.916 4.981 1.00 . A A . 3 DAL O 1 1
15 1524 1 1 4 LEU C C 5.753 5.047 3.066 1.00 . A A . 4 LEU C 1 1
15 1525 1 1 4 LEU CA C 6.692 6.074 3.713 1.00 . A A . 4 LEU CA 1 1
15 1526 1 1 4 LEU CB C 8.159 5.716 3.419 1.00 . A A . 4 LEU CB 1 1
15 1527 1 1 4 LEU CD1 C 7.980 4.468 1.237 1.00 . A A . 4 LEU CD1 1 1
15 1528 1 1 4 LEU CD2 C 7.779 6.964 1.255 1.00 . A A . 4 LEU CD2 1 1
15 1529 1 1 4 LEU CG C 8.462 5.758 1.909 1.00 . A A . 4 LEU CG 1 1
15 1530 1 1 4 LEU H H 6.998 5.568 5.758 1.00 . A A . 4 LEU H 1 1
15 1531 1 1 4 LEU HA H 6.479 7.038 3.287 1.00 . A A . 4 LEU HA 1 1
15 1532 1 1 4 LEU HB2 H 8.801 6.423 3.925 1.00 . A A . 4 LEU HB2 1 1
15 1533 1 1 4 LEU HB3 H 8.363 4.724 3.794 1.00 . A A . 4 LEU HB3 1 1
15 1534 1 1 4 LEU HD11 H 7.260 4.708 0.470 1.00 . A A . 4 LEU HD11 1 1
15 1535 1 1 4 LEU HD12 H 7.525 3.824 1.973 1.00 . A A . 4 LEU HD12 1 1
15 1536 1 1 4 LEU HD13 H 8.823 3.961 0.791 1.00 . A A . 4 LEU HD13 1 1
15 1537 1 1 4 LEU HD21 H 6.724 6.768 1.142 1.00 . A A . 4 LEU HD21 1 1
15 1538 1 1 4 LEU HD22 H 8.216 7.137 0.283 1.00 . A A . 4 LEU HD22 1 1
15 1539 1 1 4 LEU HD23 H 7.921 7.838 1.872 1.00 . A A . 4 LEU HD23 1 1
15 1540 1 1 4 LEU HG H 9.532 5.842 1.772 1.00 . A A . 4 LEU HG 1 1
15 1541 1 1 4 LEU N N 6.504 6.171 5.161 1.00 . A A . 4 LEU N 1 1
15 1542 1 1 4 LEU O O 5.596 5.034 1.847 1.00 . A A . 4 LEU O 1 1
15 1543 1 1 5 DHA C C 3.112 2.977 4.162 1.00 . A A . 5 DHA C 1 1
15 1544 1 1 5 DHA CA C 4.242 3.243 3.303 1.00 . A A . 5 DHA CA 1 1
15 1545 1 1 5 DHA CB C 4.307 2.633 2.146 1.00 . A A . 5 DHA CB 1 1
15 1546 1 1 5 DHA H H 5.203 4.173 4.842 1.00 . A A . 5 DHA H 1 1
15 1547 1 1 5 DHA HB1 H 5.108 2.828 1.515 1.00 . A A . 5 DHA HB1 1 1
15 1548 1 1 5 DHA HB2 H 3.544 1.928 1.852 1.00 . A A . 5 DHA HB2 1 1
15 1549 1 1 5 DHA N N 5.108 4.180 3.868 1.00 . A A . 5 DHA N 1 1
15 1550 1 1 5 DHA O O 3.106 2.043 4.943 1.00 . A A . 5 DHA O 1 1
15 1551 1 1 6 LEU C C 0.379 5.066 5.179 1.00 . A A . 6 LEU C 1 1
15 1552 1 1 6 LEU CA C 0.867 3.693 4.751 1.00 . A A . 6 LEU CA 1 1
15 1553 1 1 6 LEU CB C 1.099 2.848 6.004 1.00 . A A . 6 LEU CB 1 1
15 1554 1 1 6 LEU CD1 C 1.708 4.135 8.061 1.00 . A A . 6 LEU CD1 1 1
15 1555 1 1 6 LEU CD2 C 3.257 2.341 7.267 1.00 . A A . 6 LEU CD2 1 1
15 1556 1 1 6 LEU CG C 2.267 3.435 6.822 1.00 . A A . 6 LEU CG 1 1
15 1557 1 1 6 LEU H H 2.169 4.531 3.297 1.00 . A A . 6 LEU H 1 1
15 1558 1 1 6 LEU HA H 0.122 3.222 4.138 1.00 . A A . 6 LEU HA 1 1
15 1559 1 1 6 LEU HB2 H 0.203 2.864 6.606 1.00 . A A . 6 LEU HB2 1 1
15 1560 1 1 6 LEU HB3 H 1.317 1.841 5.710 1.00 . A A . 6 LEU HB3 1 1
15 1561 1 1 6 LEU HD11 H 1.051 3.460 8.590 1.00 . A A . 6 LEU HD11 1 1
15 1562 1 1 6 LEU HD12 H 1.156 5.013 7.761 1.00 . A A . 6 LEU HD12 1 1
15 1563 1 1 6 LEU HD13 H 2.522 4.426 8.709 1.00 . A A . 6 LEU HD13 1 1
15 1564 1 1 6 LEU HD21 H 3.411 2.407 8.331 1.00 . A A . 6 LEU HD21 1 1
15 1565 1 1 6 LEU HD22 H 4.203 2.489 6.762 1.00 . A A . 6 LEU HD22 1 1
15 1566 1 1 6 LEU HD23 H 2.870 1.364 7.019 1.00 . A A . 6 LEU HD23 1 1
15 1567 1 1 6 LEU HG H 2.789 4.158 6.219 1.00 . A A . 6 LEU HG 1 1
15 1568 1 1 6 LEU N N 2.099 3.821 3.976 1.00 . A A . 6 LEU N 1 1
15 1569 1 1 6 LEU O O -0.805 5.392 5.090 1.00 . A A . 6 LEU O 1 1
15 1570 1 1 7 CYS C C 0.199 7.996 5.155 1.00 . A A . 7 CYS C 1 1
15 1571 1 1 7 CYS CA C 1.094 7.204 6.110 1.00 . A A . 7 CYS CA 1 1
15 1572 1 1 7 CYS CB C 2.458 7.865 6.220 1.00 . A A . 7 CYS CB 1 1
15 1573 1 1 7 CYS H H 2.239 5.508 5.680 1.00 . A A . 7 CYS H 1 1
15 1574 1 1 7 CYS HA H 0.638 7.175 7.084 1.00 . A A . 7 CYS HA 1 1
15 1575 1 1 7 CYS HB2 H 3.143 7.312 5.598 1.00 . A A . 7 CYS HB2 1 1
15 1576 1 1 7 CYS HB3 H 2.405 8.890 5.888 1.00 . A A . 7 CYS HB3 1 1
15 1577 1 1 7 CYS N N 1.329 5.852 5.645 1.00 . A A . 7 CYS N 1 1
15 1578 1 1 7 CYS O O -0.068 9.175 5.388 1.00 . A A . 7 CYS O 1 1
15 1579 1 1 7 CYS SG S 3.036 7.804 7.929 1.00 . A A . 7 CYS SG 1 1
15 1580 1 1 8 ALA C C -1.890 9.158 3.770 1.00 . A A . 8 ALA C 1 1
15 1581 1 1 8 ALA CA C -1.127 8.009 3.118 1.00 . A A . 8 ALA CA 1 1
15 1582 1 1 8 ALA CB C -2.123 7.001 2.550 1.00 . A A . 8 ALA CB 1 1
15 1583 1 1 8 ALA H H -0.018 6.413 3.951 1.00 . A A . 8 ALA H 1 1
15 1584 1 1 8 ALA HA H -0.523 8.398 2.312 1.00 . A A . 8 ALA HA 1 1
15 1585 1 1 8 ALA HB1 H -1.624 6.368 1.831 1.00 . A A . 8 ALA HB1 1 1
15 1586 1 1 8 ALA HB2 H -2.932 7.528 2.068 1.00 . A A . 8 ALA HB2 1 1
15 1587 1 1 8 ALA HB3 H -2.515 6.394 3.352 1.00 . A A . 8 ALA HB3 1 1
15 1588 1 1 8 ALA N N -0.262 7.349 4.089 1.00 . A A . 8 ALA N 1 1
15 1589 1 1 8 ALA O O -1.689 10.288 3.354 1.00 . A A . 8 ALA O 1 1
15 1590 1 1 8 ALA OXT O -2.663 8.891 4.674 1.00 . A A . 8 ALA OXT 1 1
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