NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
642021 |
6qyw   |
34374 | cing | 4-filtered-FRED | STAR | entry | full | 10 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qyw
# This FRED archive file contains, for PDB entry <6qyw>:
#
# - 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_6qyw
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6qyw
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 752.92
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 $ILE_DBU_DAL_ILE_DHA_LEU_CYS_ALA A . 1 1
stop_
save_
save_ILE_DBU_DAL_ILE_DHA_LEU_CYS_ALA
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ILE DBU DAL ILE DHA LEU CYS ALA"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code IXXIXLCA
_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 ILE . 1 1
2 . $. 1 1
3 DAL $DAL 1 1
4 ILE . 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
ILE 1 1 1 1
. 2 2 1 1
DAL 3 3 1 1
ILE 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_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_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_2_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
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 1 ILE HA . 1 . HA 1 1
1 1 2 1 1 4 ILE HG13 . 4 . HG11 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 4 ILE H . 4 . HN 1 1
3 1 1 1 1 7 CYS H . 7 . HN 1 1
3 1 2 1 1 6 LEU H . 6 . HN 1 1
4 1 1 1 1 4 ILE H . 4 . HN 1 1
4 1 1 1 1 7 CYS H . 7 . HN 1 1
4 1 2 1 1 6 LEU HA . 6 . HA 1 1
5 1 1 1 1 4 ILE H . 4 . HN 1 1
5 1 1 1 1 7 CYS H . 7 . HN 1 1
5 1 2 1 1 8 ALA H . 8 . HN 1 1
6 1 1 1 1 7 CYS HA . 7 . HA 1 1
6 1 2 1 1 8 ALA H . 8 . HN 1 1
7 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1
7 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 . . . . . 3.4 2.7 4.1 1 1
2 1 . . . . . 3.9 3.1 4.7 1 1
3 1 . . . . . 4.0 3.2 4.8 1 1
4 1 . . . . . 3.1 2.5 3.7 1 1
5 1 . . . . . 3.8 3.0 4.6 1 1
6 1 . . . . . 3.2 2.6 3.8 1 1
7 1 . . . . . 3.9 3.1 4.7 1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_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 5 DHA C 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C -175.7 -15.699999 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
2 . 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
3 . 1 1 3 DAL C 1 1 4 ILE N 1 1 4 ILE CA 1 1 4 ILE C -165.6 -45.6 . 3 . C . 4 . N . 4 . CA . 4 . 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 ILE C C 10.338 2.630 5.775 1.00 . A A . 1 ILE C 1 1
1 2 1 1 1 ILE CA C 11.042 1.552 6.593 1.00 . A A . 1 ILE CA 1 1
1 3 1 1 1 ILE CB C 12.489 1.966 6.873 1.00 . A A . 1 ILE CB 1 1
1 4 1 1 1 ILE CD1 C 13.060 1.409 4.501 1.00 . A A . 1 ILE CD1 1 1
1 5 1 1 1 ILE CG1 C 13.133 2.486 5.584 1.00 . A A . 1 ILE CG1 1 1
1 6 1 1 1 ILE CG2 C 13.276 0.758 7.384 1.00 . A A . 1 ILE CG2 1 1
1 7 1 1 1 ILE H1 H 10.667 0.437 4.874 1.00 . A A . 1 ILE H1 1 1
1 8 1 1 1 ILE H2 H 10.421 -0.417 6.323 1.00 . A A . 1 ILE H2 1 1
1 9 1 1 1 ILE H3 H 11.998 -0.106 5.774 1.00 . A A . 1 ILE H3 1 1
1 10 1 1 1 ILE HA H 10.520 1.416 7.528 1.00 . A A . 1 ILE HA 1 1
1 11 1 1 1 ILE HB H 12.499 2.744 7.622 1.00 . A A . 1 ILE HB 1 1
1 12 1 1 1 ILE HD11 H 13.729 1.666 3.693 1.00 . A A . 1 ILE HD11 1 1
1 13 1 1 1 ILE HD12 H 12.050 1.344 4.125 1.00 . A A . 1 ILE HD12 1 1
1 14 1 1 1 ILE HD13 H 13.352 0.457 4.918 1.00 . A A . 1 ILE HD13 1 1
1 15 1 1 1 ILE HG12 H 12.610 3.370 5.251 1.00 . A A . 1 ILE HG12 1 1
1 16 1 1 1 ILE HG13 H 14.167 2.732 5.775 1.00 . A A . 1 ILE HG13 1 1
1 17 1 1 1 ILE HG21 H 13.720 0.238 6.548 1.00 . A A . 1 ILE HG21 1 1
1 18 1 1 1 ILE HG22 H 12.609 0.090 7.909 1.00 . A A . 1 ILE HG22 1 1
1 19 1 1 1 ILE HG23 H 14.053 1.093 8.055 1.00 . A A . 1 ILE HG23 1 1
1 20 1 1 1 ILE N N 11.031 0.270 5.833 1.00 . A A . 1 ILE N 1 1
1 21 1 1 1 ILE O O 10.234 2.530 4.553 1.00 . A A . 1 ILE O 1 1
1 22 1 1 2 . C C 7.834 4.274 5.363 1.00 . A A . 2 DBU C 1 1
1 23 1 1 2 . CA C 9.195 4.705 5.784 1.00 . A A . 2 DBU CA 1 1
1 24 1 1 2 . CB C 9.638 5.938 5.503 1.00 . A A . 2 DBU CB 1 1
1 25 1 1 2 . CG C 11.019 6.469 5.894 1.00 . A A . 2 DBU CG 1 1
1 26 1 1 2 . H H 9.928 3.767 7.431 1.00 . A A . 2 DBU H 1 1
1 27 1 1 2 . HB H 8.977 6.601 4.964 1.00 . A A . 2 DBU HB 1 1
1 28 1 1 2 . HG1 H 11.763 5.707 5.712 1.00 . A A . 2 DBU HG1 1 1
1 29 1 1 2 . HG2 H 11.020 6.731 6.942 1.00 . A A . 2 DBU HG2 1 1
1 30 1 1 2 . HG3 H 11.248 7.345 5.303 1.00 . A A . 2 DBU HG3 1 1
1 31 1 1 2 . N N 9.849 3.680 6.459 1.00 . A A . 2 DBU N 1 1
1 32 1 1 2 . O O 6.867 4.329 6.123 1.00 . A A . 2 DBU O 1 1
1 33 1 1 3 DAL C C 5.947 2.154 4.394 1.00 . A A . 3 DAL C 1 1
1 34 1 1 3 DAL CA C 6.419 3.381 3.620 1.00 . A A . 3 DAL CA 1 1
1 35 1 1 3 DAL CB C 5.398 4.510 3.771 1.00 . A A . 3 DAL CB 1 1
1 36 1 1 3 DAL H H 8.493 3.777 3.497 1.00 . A A . 3 DAL H 1 1
1 37 1 1 3 DAL HA H 6.501 3.125 2.573 1.00 . A A . 3 DAL HA 1 1
1 38 1 1 3 DAL HB1 H 5.881 5.378 4.196 1.00 . A A . 3 DAL HB1 1 1
1 39 1 1 3 DAL HB2 H 4.598 4.189 4.423 1.00 . A A . 3 DAL HB2 1 1
1 40 1 1 3 DAL N N 7.723 3.821 4.102 1.00 . A A . 3 DAL N 1 1
1 41 1 1 3 DAL O O 4.838 1.665 4.183 1.00 . A A . 3 DAL O 1 1
1 42 1 1 4 ILE C C 5.164 0.735 6.866 1.00 . A A . 4 ILE C 1 1
1 43 1 1 4 ILE CA C 6.454 0.492 6.089 1.00 . A A . 4 ILE CA 1 1
1 44 1 1 4 ILE CB C 7.595 0.173 7.061 1.00 . A A . 4 ILE CB 1 1
1 45 1 1 4 ILE CD1 C 6.299 -1.818 7.839 1.00 . A A . 4 ILE CD1 1 1
1 46 1 1 4 ILE CG1 C 7.649 -1.338 7.303 1.00 . A A . 4 ILE CG1 1 1
1 47 1 1 4 ILE CG2 C 7.361 0.892 8.391 1.00 . A A . 4 ILE CG2 1 1
1 48 1 1 4 ILE H H 7.667 2.094 5.415 1.00 . A A . 4 ILE H 1 1
1 49 1 1 4 ILE HA H 6.313 -0.352 5.431 1.00 . A A . 4 ILE HA 1 1
1 50 1 1 4 ILE HB H 8.531 0.503 6.635 1.00 . A A . 4 ILE HB 1 1
1 51 1 1 4 ILE HD11 H 5.872 -1.055 8.472 1.00 . A A . 4 ILE HD11 1 1
1 52 1 1 4 ILE HD12 H 6.441 -2.724 8.410 1.00 . A A . 4 ILE HD12 1 1
1 53 1 1 4 ILE HD13 H 5.634 -2.015 7.011 1.00 . A A . 4 ILE HD13 1 1
1 54 1 1 4 ILE HG12 H 7.869 -1.843 6.373 1.00 . A A . 4 ILE HG12 1 1
1 55 1 1 4 ILE HG13 H 8.421 -1.560 8.025 1.00 . A A . 4 ILE HG13 1 1
1 56 1 1 4 ILE HG21 H 7.156 1.936 8.204 1.00 . A A . 4 ILE HG21 1 1
1 57 1 1 4 ILE HG22 H 8.241 0.802 9.010 1.00 . A A . 4 ILE HG22 1 1
1 58 1 1 4 ILE HG23 H 6.518 0.445 8.898 1.00 . A A . 4 ILE HG23 1 1
1 59 1 1 4 ILE N N 6.797 1.663 5.289 1.00 . A A . 4 ILE N 1 1
1 60 1 1 4 ILE O O 4.378 -0.186 7.091 1.00 . A A . 4 ILE O 1 1
1 61 1 1 5 DHA C C 2.631 2.476 7.073 1.00 . A A . 5 DHA C 1 1
1 62 1 1 5 DHA CA C 3.786 2.298 7.995 1.00 . A A . 5 DHA CA 1 1
1 63 1 1 5 DHA CB C 3.631 2.434 9.319 1.00 . A A . 5 DHA CB 1 1
1 64 1 1 5 DHA H H 5.561 2.732 7.106 1.00 . A A . 5 DHA H 1 1
1 65 1 1 5 DHA HB1 H 4.474 2.304 9.982 1.00 . A A . 5 DHA HB1 1 1
1 66 1 1 5 DHA HB2 H 2.661 2.675 9.731 1.00 . A A . 5 DHA HB2 1 1
1 67 1 1 5 DHA N N 4.940 1.994 7.282 1.00 . A A . 5 DHA N 1 1
1 68 1 1 5 DHA O O 1.875 1.547 6.788 1.00 . A A . 5 DHA O 1 1
1 69 1 1 6 LEU C C 1.624 5.194 4.807 1.00 . A A . 6 LEU C 1 1
1 70 1 1 6 LEU CA C 1.353 3.959 5.659 1.00 . A A . 6 LEU CA 1 1
1 71 1 1 6 LEU CB C 0.061 4.158 6.454 1.00 . A A . 6 LEU CB 1 1
1 72 1 1 6 LEU CD1 C -1.154 4.416 4.284 1.00 . A A . 6 LEU CD1 1 1
1 73 1 1 6 LEU CD2 C -1.003 2.173 5.371 1.00 . A A . 6 LEU CD2 1 1
1 74 1 1 6 LEU CG C -1.130 3.677 5.623 1.00 . A A . 6 LEU CG 1 1
1 75 1 1 6 LEU H H 3.066 4.451 6.797 1.00 . A A . 6 LEU H 1 1
1 76 1 1 6 LEU HA H 1.236 3.104 5.010 1.00 . A A . 6 LEU HA 1 1
1 77 1 1 6 LEU HB2 H 0.113 3.589 7.372 1.00 . A A . 6 LEU HB2 1 1
1 78 1 1 6 LEU HB3 H -0.063 5.205 6.685 1.00 . A A . 6 LEU HB3 1 1
1 79 1 1 6 LEU HD11 H -1.100 5.481 4.460 1.00 . A A . 6 LEU HD11 1 1
1 80 1 1 6 LEU HD12 H -2.070 4.184 3.761 1.00 . A A . 6 LEU HD12 1 1
1 81 1 1 6 LEU HD13 H -0.309 4.107 3.687 1.00 . A A . 6 LEU HD13 1 1
1 82 1 1 6 LEU HD21 H -0.618 2.006 4.376 1.00 . A A . 6 LEU HD21 1 1
1 83 1 1 6 LEU HD22 H -1.973 1.708 5.464 1.00 . A A . 6 LEU HD22 1 1
1 84 1 1 6 LEU HD23 H -0.327 1.743 6.095 1.00 . A A . 6 LEU HD23 1 1
1 85 1 1 6 LEU HG H -2.046 3.877 6.161 1.00 . A A . 6 LEU HG 1 1
1 86 1 1 6 LEU N N 2.464 3.711 6.570 1.00 . A A . 6 LEU N 1 1
1 87 1 1 6 LEU O O 1.496 6.324 5.277 1.00 . A A . 6 LEU O 1 1
1 88 1 1 7 CYS C C 1.862 5.714 1.220 1.00 . A A . 7 CYS C 1 1
1 89 1 1 7 CYS CA C 2.286 6.071 2.641 1.00 . A A . 7 CYS CA 1 1
1 90 1 1 7 CYS CB C 3.782 6.392 2.665 1.00 . A A . 7 CYS CB 1 1
1 91 1 1 7 CYS H H 2.084 4.046 3.233 1.00 . A A . 7 CYS H 1 1
1 92 1 1 7 CYS HA H 1.738 6.944 2.963 1.00 . A A . 7 CYS HA 1 1
1 93 1 1 7 CYS HB2 H 3.985 7.209 1.989 1.00 . A A . 7 CYS HB2 1 1
1 94 1 1 7 CYS HB3 H 4.075 6.672 3.666 1.00 . A A . 7 CYS HB3 1 1
1 95 1 1 7 CYS N N 1.999 4.969 3.552 1.00 . A A . 7 CYS N 1 1
1 96 1 1 7 CYS O O 1.744 6.586 0.360 1.00 . A A . 7 CYS O 1 1
1 97 1 1 7 CYS SG S 4.719 4.933 2.147 1.00 . A A . 7 CYS SG 1 1
1 98 1 1 8 ALA C C 0.060 2.981 -0.222 1.00 . A A . 8 ALA C 1 1
1 99 1 1 8 ALA CA C 1.220 3.966 -0.337 1.00 . A A . 8 ALA CA 1 1
1 100 1 1 8 ALA CB C 2.397 3.290 -1.045 1.00 . A A . 8 ALA CB 1 1
1 101 1 1 8 ALA H H 1.743 3.776 1.708 1.00 . A A . 8 ALA H 1 1
1 102 1 1 8 ALA HA H 0.903 4.815 -0.922 1.00 . A A . 8 ALA HA 1 1
1 103 1 1 8 ALA HB1 H 3.312 3.519 -0.520 1.00 . A A . 8 ALA HB1 1 1
1 104 1 1 8 ALA HB2 H 2.463 3.654 -2.060 1.00 . A A . 8 ALA HB2 1 1
1 105 1 1 8 ALA HB3 H 2.245 2.221 -1.055 1.00 . A A . 8 ALA HB3 1 1
1 106 1 1 8 ALA N N 1.633 4.427 0.984 1.00 . A A . 8 ALA N 1 1
1 107 1 1 8 ALA O O -0.451 2.575 -1.254 1.00 . A A . 8 ALA O 1 1
1 108 1 1 8 ALA OXT O -0.299 2.648 0.894 1.00 . A A . 8 ALA OXT 1 1
2 109 1 1 1 ILE C C 7.219 4.711 9.129 1.00 . A A . 1 ILE C 1 1
2 110 1 1 1 ILE CA C 8.259 4.029 10.012 1.00 . A A . 1 ILE CA 1 1
2 111 1 1 1 ILE CB C 8.453 4.827 11.303 1.00 . A A . 1 ILE CB 1 1
2 112 1 1 1 ILE CD1 C 8.410 3.069 13.085 1.00 . A A . 1 ILE CD1 1 1
2 113 1 1 1 ILE CG1 C 9.306 4.013 12.281 1.00 . A A . 1 ILE CG1 1 1
2 114 1 1 1 ILE CG2 C 7.090 5.117 11.935 1.00 . A A . 1 ILE CG2 1 1
2 115 1 1 1 ILE H1 H 9.376 3.953 8.256 1.00 . A A . 1 ILE H1 1 1
2 116 1 1 1 ILE H2 H 10.050 3.076 9.545 1.00 . A A . 1 ILE H2 1 1
2 117 1 1 1 ILE H3 H 10.143 4.772 9.527 1.00 . A A . 1 ILE H3 1 1
2 118 1 1 1 ILE HA H 7.925 3.031 10.253 1.00 . A A . 1 ILE HA 1 1
2 119 1 1 1 ILE HB H 8.951 5.759 11.078 1.00 . A A . 1 ILE HB 1 1
2 120 1 1 1 ILE HD11 H 7.959 3.611 13.903 1.00 . A A . 1 ILE HD11 1 1
2 121 1 1 1 ILE HD12 H 9.004 2.255 13.476 1.00 . A A . 1 ILE HD12 1 1
2 122 1 1 1 ILE HD13 H 7.636 2.674 12.444 1.00 . A A . 1 ILE HD13 1 1
2 123 1 1 1 ILE HG12 H 10.035 3.437 11.728 1.00 . A A . 1 ILE HG12 1 1
2 124 1 1 1 ILE HG13 H 9.817 4.684 12.957 1.00 . A A . 1 ILE HG13 1 1
2 125 1 1 1 ILE HG21 H 6.413 4.303 11.720 1.00 . A A . 1 ILE HG21 1 1
2 126 1 1 1 ILE HG22 H 6.693 6.034 11.527 1.00 . A A . 1 ILE HG22 1 1
2 127 1 1 1 ILE HG23 H 7.204 5.218 13.005 1.00 . A A . 1 ILE HG23 1 1
2 128 1 1 1 ILE N N 9.555 3.952 9.280 1.00 . A A . 1 ILE N 1 1
2 129 1 1 1 ILE O O 6.132 5.059 9.590 1.00 . A A . 1 ILE O 1 1
2 130 1 1 2 . C C 6.355 4.642 5.814 1.00 . A A . 2 DBU C 1 1
2 131 1 1 2 . CA C 6.660 5.523 6.975 1.00 . A A . 2 DBU CA 1 1
2 132 1 1 2 . CB C 6.093 6.733 7.077 1.00 . A A . 2 DBU CB 1 1
2 133 1 1 2 . CG C 6.342 7.710 8.228 1.00 . A A . 2 DBU CG 1 1
2 134 1 1 2 . H H 8.419 4.632 7.469 1.00 . A A . 2 DBU H 1 1
2 135 1 1 2 . HB H 5.416 7.039 6.293 1.00 . A A . 2 DBU HB 1 1
2 136 1 1 2 . HG1 H 7.002 7.254 8.950 1.00 . A A . 2 DBU HG1 1 1
2 137 1 1 2 . HG2 H 5.402 7.954 8.702 1.00 . A A . 2 DBU HG2 1 1
2 138 1 1 2 . HG3 H 6.795 8.611 7.843 1.00 . A A . 2 DBU HG3 1 1
2 139 1 1 2 . N N 7.555 4.906 7.842 1.00 . A A . 2 DBU N 1 1
2 140 1 1 2 . O O 5.336 3.955 5.768 1.00 . A A . 2 DBU O 1 1
2 141 1 1 3 DAL C C 6.337 2.508 4.046 1.00 . A A . 3 DAL C 1 1
2 142 1 1 3 DAL CA C 7.019 3.811 3.646 1.00 . A A . 3 DAL CA 1 1
2 143 1 1 3 DAL CB C 6.135 4.562 2.649 1.00 . A A . 3 DAL CB 1 1
2 144 1 1 3 DAL H H 8.069 5.196 4.852 1.00 . A A . 3 DAL H 1 1
2 145 1 1 3 DAL HA H 7.964 3.585 3.174 1.00 . A A . 3 DAL HA 1 1
2 146 1 1 3 DAL HB1 H 5.886 3.909 1.826 1.00 . A A . 3 DAL HB1 1 1
2 147 1 1 3 DAL HB2 H 6.666 5.426 2.276 1.00 . A A . 3 DAL HB2 1 1
2 148 1 1 3 DAL N N 7.258 4.646 4.817 1.00 . A A . 3 DAL N 1 1
2 149 1 1 3 DAL O O 5.521 1.969 3.299 1.00 . A A . 3 DAL O 1 1
2 150 1 1 4 ILE C C 4.649 1.033 6.186 1.00 . A A . 4 ILE C 1 1
2 151 1 1 4 ILE CA C 6.076 0.771 5.720 1.00 . A A . 4 ILE CA 1 1
2 152 1 1 4 ILE CB C 6.909 0.210 6.876 1.00 . A A . 4 ILE CB 1 1
2 153 1 1 4 ILE CD1 C 9.059 0.468 8.122 1.00 . A A . 4 ILE CD1 1 1
2 154 1 1 4 ILE CG1 C 8.100 1.134 7.135 1.00 . A A . 4 ILE CG1 1 1
2 155 1 1 4 ILE CG2 C 7.420 -1.186 6.513 1.00 . A A . 4 ILE CG2 1 1
2 156 1 1 4 ILE H H 7.324 2.482 5.787 1.00 . A A . 4 ILE H 1 1
2 157 1 1 4 ILE HA H 6.055 0.050 4.917 1.00 . A A . 4 ILE HA 1 1
2 158 1 1 4 ILE HB H 6.298 0.147 7.765 1.00 . A A . 4 ILE HB 1 1
2 159 1 1 4 ILE HD11 H 9.567 -0.350 7.633 1.00 . A A . 4 ILE HD11 1 1
2 160 1 1 4 ILE HD12 H 8.503 0.092 8.968 1.00 . A A . 4 ILE HD12 1 1
2 161 1 1 4 ILE HD13 H 9.786 1.191 8.462 1.00 . A A . 4 ILE HD13 1 1
2 162 1 1 4 ILE HG12 H 8.614 1.327 6.205 1.00 . A A . 4 ILE HG12 1 1
2 163 1 1 4 ILE HG13 H 7.748 2.067 7.553 1.00 . A A . 4 ILE HG13 1 1
2 164 1 1 4 ILE HG21 H 6.583 -1.828 6.284 1.00 . A A . 4 ILE HG21 1 1
2 165 1 1 4 ILE HG22 H 7.971 -1.596 7.347 1.00 . A A . 4 ILE HG22 1 1
2 166 1 1 4 ILE HG23 H 8.068 -1.120 5.652 1.00 . A A . 4 ILE HG23 1 1
2 167 1 1 4 ILE N N 6.673 2.008 5.231 1.00 . A A . 4 ILE N 1 1
2 168 1 1 4 ILE O O 3.698 0.878 5.421 1.00 . A A . 4 ILE O 1 1
2 169 1 1 5 DHA C C 2.488 2.585 6.970 1.00 . A A . 5 DHA C 1 1
2 170 1 1 5 DHA CA C 3.223 1.729 7.936 1.00 . A A . 5 DHA CA 1 1
2 171 1 1 5 DHA CB C 2.649 1.338 9.080 1.00 . A A . 5 DHA CB 1 1
2 172 1 1 5 DHA H H 5.246 1.593 8.068 1.00 . A A . 5 DHA H 1 1
2 173 1 1 5 DHA HB1 H 3.190 0.716 9.777 1.00 . A A . 5 DHA HB1 1 1
2 174 1 1 5 DHA HB2 H 1.638 1.643 9.310 1.00 . A A . 5 DHA HB2 1 1
2 175 1 1 5 DHA N N 4.494 1.454 7.454 1.00 . A A . 5 DHA N 1 1
2 176 1 1 5 DHA O O 1.832 2.110 6.042 1.00 . A A . 5 DHA O 1 1
2 177 1 1 6 LEU C C 2.267 4.475 4.805 1.00 . A A . 6 LEU C 1 1
2 178 1 1 6 LEU CA C 1.905 4.811 6.250 1.00 . A A . 6 LEU CA 1 1
2 179 1 1 6 LEU CB C 2.294 6.256 6.558 1.00 . A A . 6 LEU CB 1 1
2 180 1 1 6 LEU CD1 C 1.262 6.289 8.831 1.00 . A A . 6 LEU CD1 1 1
2 181 1 1 6 LEU CD2 C 1.470 8.407 7.526 1.00 . A A . 6 LEU CD2 1 1
2 182 1 1 6 LEU CG C 1.216 6.900 7.431 1.00 . A A . 6 LEU CG 1 1
2 183 1 1 6 LEU H H 3.118 4.287 7.901 1.00 . A A . 6 LEU H 1 1
2 184 1 1 6 LEU HA H 0.842 4.699 6.379 1.00 . A A . 6 LEU HA 1 1
2 185 1 1 6 LEU HB2 H 3.239 6.270 7.082 1.00 . A A . 6 LEU HB2 1 1
2 186 1 1 6 LEU HB3 H 2.386 6.808 5.635 1.00 . A A . 6 LEU HB3 1 1
2 187 1 1 6 LEU HD11 H 1.979 6.825 9.436 1.00 . A A . 6 LEU HD11 1 1
2 188 1 1 6 LEU HD12 H 1.553 5.251 8.762 1.00 . A A . 6 LEU HD12 1 1
2 189 1 1 6 LEU HD13 H 0.284 6.359 9.286 1.00 . A A . 6 LEU HD13 1 1
2 190 1 1 6 LEU HD21 H 2.480 8.623 7.210 1.00 . A A . 6 LEU HD21 1 1
2 191 1 1 6 LEU HD22 H 1.335 8.731 8.547 1.00 . A A . 6 LEU HD22 1 1
2 192 1 1 6 LEU HD23 H 0.772 8.929 6.887 1.00 . A A . 6 LEU HD23 1 1
2 193 1 1 6 LEU HG H 0.245 6.723 6.992 1.00 . A A . 6 LEU HG 1 1
2 194 1 1 6 LEU N N 2.591 3.910 7.165 1.00 . A A . 6 LEU N 1 1
2 195 1 1 6 LEU O O 2.949 3.484 4.544 1.00 . A A . 6 LEU O 1 1
2 196 1 1 7 CYS C C 1.004 4.188 1.837 1.00 . A A . 7 CYS C 1 1
2 197 1 1 7 CYS CA C 2.076 5.080 2.454 1.00 . A A . 7 CYS CA 1 1
2 198 1 1 7 CYS CB C 3.450 4.428 2.265 1.00 . A A . 7 CYS CB 1 1
2 199 1 1 7 CYS H H 1.258 6.072 4.141 1.00 . A A . 7 CYS H 1 1
2 200 1 1 7 CYS HA H 2.070 6.032 1.945 1.00 . A A . 7 CYS HA 1 1
2 201 1 1 7 CYS HB2 H 3.364 3.361 2.397 1.00 . A A . 7 CYS HB2 1 1
2 202 1 1 7 CYS HB3 H 3.810 4.638 1.268 1.00 . A A . 7 CYS HB3 1 1
2 203 1 1 7 CYS N N 1.801 5.300 3.872 1.00 . A A . 7 CYS N 1 1
2 204 1 1 7 CYS O O 0.095 4.668 1.161 1.00 . A A . 7 CYS O 1 1
2 205 1 1 7 CYS SG S 4.615 5.096 3.477 1.00 . A A . 7 CYS SG 1 1
2 206 1 1 8 ALA C C -1.257 2.269 2.027 1.00 . A A . 8 ALA C 1 1
2 207 1 1 8 ALA CA C 0.149 1.934 1.541 1.00 . A A . 8 ALA CA 1 1
2 208 1 1 8 ALA CB C 0.517 0.514 1.979 1.00 . A A . 8 ALA CB 1 1
2 209 1 1 8 ALA H H 1.861 2.558 2.624 1.00 . A A . 8 ALA H 1 1
2 210 1 1 8 ALA HA H 0.169 1.982 0.463 1.00 . A A . 8 ALA HA 1 1
2 211 1 1 8 ALA HB1 H -0.246 -0.174 1.646 1.00 . A A . 8 ALA HB1 1 1
2 212 1 1 8 ALA HB2 H 0.589 0.477 3.056 1.00 . A A . 8 ALA HB2 1 1
2 213 1 1 8 ALA HB3 H 1.467 0.238 1.546 1.00 . A A . 8 ALA HB3 1 1
2 214 1 1 8 ALA N N 1.116 2.885 2.077 1.00 . A A . 8 ALA N 1 1
2 215 1 1 8 ALA O O -1.424 3.328 2.609 1.00 . A A . 8 ALA O 1 1
2 216 1 1 8 ALA OXT O -2.147 1.463 1.809 1.00 . A A . 8 ALA OXT 1 1
3 217 1 1 1 ILE C C 10.049 2.978 3.650 1.00 . A A . 1 ILE C 1 1
3 218 1 1 1 ILE CA C 11.220 2.061 3.989 1.00 . A A . 1 ILE CA 1 1
3 219 1 1 1 ILE CB C 12.402 2.363 3.067 1.00 . A A . 1 ILE CB 1 1
3 220 1 1 1 ILE CD1 C 13.037 0.328 1.762 1.00 . A A . 1 ILE CD1 1 1
3 221 1 1 1 ILE CG1 C 13.333 1.147 3.018 1.00 . A A . 1 ILE CG1 1 1
3 222 1 1 1 ILE CG2 C 13.172 3.573 3.602 1.00 . A A . 1 ILE CG2 1 1
3 223 1 1 1 ILE H1 H 10.842 0.391 2.804 1.00 . A A . 1 ILE H1 1 1
3 224 1 1 1 ILE H2 H 9.832 0.518 4.164 1.00 . A A . 1 ILE H2 1 1
3 225 1 1 1 ILE H3 H 11.447 0.022 4.344 1.00 . A A . 1 ILE H3 1 1
3 226 1 1 1 ILE HA H 11.515 2.221 5.016 1.00 . A A . 1 ILE HA 1 1
3 227 1 1 1 ILE HB H 12.038 2.580 2.073 1.00 . A A . 1 ILE HB 1 1
3 228 1 1 1 ILE HD11 H 13.636 0.695 0.943 1.00 . A A . 1 ILE HD11 1 1
3 229 1 1 1 ILE HD12 H 11.990 0.417 1.512 1.00 . A A . 1 ILE HD12 1 1
3 230 1 1 1 ILE HD13 H 13.275 -0.710 1.945 1.00 . A A . 1 ILE HD13 1 1
3 231 1 1 1 ILE HG12 H 14.360 1.482 2.998 1.00 . A A . 1 ILE HG12 1 1
3 232 1 1 1 ILE HG13 H 13.171 0.535 3.893 1.00 . A A . 1 ILE HG13 1 1
3 233 1 1 1 ILE HG21 H 12.609 4.032 4.401 1.00 . A A . 1 ILE HG21 1 1
3 234 1 1 1 ILE HG22 H 13.317 4.288 2.807 1.00 . A A . 1 ILE HG22 1 1
3 235 1 1 1 ILE HG23 H 14.132 3.252 3.977 1.00 . A A . 1 ILE HG23 1 1
3 236 1 1 1 ILE N N 10.804 0.641 3.811 1.00 . A A . 1 ILE N 1 1
3 237 1 1 1 ILE O O 9.255 2.685 2.756 1.00 . A A . 1 ILE O 1 1
3 238 1 1 2 . C C 7.582 4.320 4.281 1.00 . A A . 2 DBU C 1 1
3 239 1 1 2 . CA C 8.901 4.996 4.127 1.00 . A A . 2 DBU CA 1 1
3 240 1 1 2 . CB C 8.970 6.292 3.791 1.00 . A A . 2 DBU CB 1 1
3 241 1 1 2 . CG C 10.276 7.068 3.612 1.00 . A A . 2 DBU CG 1 1
3 242 1 1 2 . H H 10.570 4.346 5.087 1.00 . A A . 2 DBU H 1 1
3 243 1 1 2 . HB H 8.042 6.823 3.638 1.00 . A A . 2 DBU HB 1 1
3 244 1 1 2 . HG1 H 10.111 7.902 2.945 1.00 . A A . 2 DBU HG1 1 1
3 245 1 1 2 . HG2 H 11.028 6.416 3.194 1.00 . A A . 2 DBU HG2 1 1
3 246 1 1 2 . HG3 H 10.611 7.436 4.571 1.00 . A A . 2 DBU HG3 1 1
3 247 1 1 2 . N N 9.941 4.107 4.375 1.00 . A A . 2 DBU N 1 1
3 248 1 1 2 . O O 6.900 4.448 5.297 1.00 . A A . 2 DBU O 1 1
3 249 1 1 3 DAL C C 5.896 1.851 4.459 1.00 . A A . 3 DAL C 1 1
3 250 1 1 3 DAL CA C 5.901 2.867 3.320 1.00 . A A . 3 DAL CA 1 1
3 251 1 1 3 DAL CB C 4.769 3.877 3.528 1.00 . A A . 3 DAL CB 1 1
3 252 1 1 3 DAL H H 7.729 3.460 2.436 1.00 . A A . 3 DAL H 1 1
3 253 1 1 3 DAL HA H 5.732 2.346 2.389 1.00 . A A . 3 DAL HA 1 1
3 254 1 1 3 DAL HB1 H 5.164 4.766 3.989 1.00 . A A . 3 DAL HB1 1 1
3 255 1 1 3 DAL HB2 H 4.015 3.444 4.171 1.00 . A A . 3 DAL HB2 1 1
3 256 1 1 3 DAL N N 7.183 3.561 3.243 1.00 . A A . 3 DAL N 1 1
3 257 1 1 3 DAL O O 5.030 0.977 4.519 1.00 . A A . 3 DAL O 1 1
3 258 1 1 4 ILE C C 5.581 0.853 7.124 1.00 . A A . 4 ILE C 1 1
3 259 1 1 4 ILE CA C 6.954 1.052 6.493 1.00 . A A . 4 ILE CA 1 1
3 260 1 1 4 ILE CB C 7.922 1.606 7.540 1.00 . A A . 4 ILE CB 1 1
3 261 1 1 4 ILE CD1 C 10.135 2.718 7.872 1.00 . A A . 4 ILE CD1 1 1
3 262 1 1 4 ILE CG1 C 9.238 1.997 6.864 1.00 . A A . 4 ILE CG1 1 1
3 263 1 1 4 ILE CG2 C 8.195 0.539 8.601 1.00 . A A . 4 ILE CG2 1 1
3 264 1 1 4 ILE H H 7.527 2.682 5.268 1.00 . A A . 4 ILE H 1 1
3 265 1 1 4 ILE HA H 7.323 0.100 6.145 1.00 . A A . 4 ILE HA 1 1
3 266 1 1 4 ILE HB H 7.484 2.476 8.009 1.00 . A A . 4 ILE HB 1 1
3 267 1 1 4 ILE HD11 H 10.894 2.038 8.231 1.00 . A A . 4 ILE HD11 1 1
3 268 1 1 4 ILE HD12 H 9.538 3.061 8.704 1.00 . A A . 4 ILE HD12 1 1
3 269 1 1 4 ILE HD13 H 10.607 3.563 7.394 1.00 . A A . 4 ILE HD13 1 1
3 270 1 1 4 ILE HG12 H 9.738 1.107 6.507 1.00 . A A . 4 ILE HG12 1 1
3 271 1 1 4 ILE HG13 H 9.036 2.653 6.032 1.00 . A A . 4 ILE HG13 1 1
3 272 1 1 4 ILE HG21 H 9.160 0.717 9.051 1.00 . A A . 4 ILE HG21 1 1
3 273 1 1 4 ILE HG22 H 8.188 -0.438 8.140 1.00 . A A . 4 ILE HG22 1 1
3 274 1 1 4 ILE HG23 H 7.429 0.584 9.362 1.00 . A A . 4 ILE HG23 1 1
3 275 1 1 4 ILE N N 6.864 1.969 5.362 1.00 . A A . 4 ILE N 1 1
3 276 1 1 4 ILE O O 5.214 -0.259 7.505 1.00 . A A . 4 ILE O 1 1
3 277 1 1 5 DHA C C 2.503 2.261 6.810 1.00 . A A . 5 DHA C 1 1
3 278 1 1 5 DHA CA C 3.542 1.855 7.795 1.00 . A A . 5 DHA CA 1 1
3 279 1 1 5 DHA CB C 3.199 1.471 9.031 1.00 . A A . 5 DHA CB 1 1
3 280 1 1 5 DHA H H 5.096 2.836 6.931 1.00 . A A . 5 DHA H 1 1
3 281 1 1 5 DHA HB1 H 3.959 1.179 9.740 1.00 . A A . 5 DHA HB1 1 1
3 282 1 1 5 DHA HB2 H 2.159 1.451 9.324 1.00 . A A . 5 DHA HB2 1 1
3 283 1 1 5 DHA N N 4.809 1.949 7.235 1.00 . A A . 5 DHA N 1 1
3 284 1 1 5 DHA O O 1.771 1.438 6.257 1.00 . A A . 5 DHA O 1 1
3 285 1 1 6 LEU C C 1.906 5.311 4.897 1.00 . A A . 6 LEU C 1 1
3 286 1 1 6 LEU CA C 1.417 4.051 5.605 1.00 . A A . 6 LEU CA 1 1
3 287 1 1 6 LEU CB C 0.102 4.347 6.325 1.00 . A A . 6 LEU CB 1 1
3 288 1 1 6 LEU CD1 C -2.007 3.306 7.173 1.00 . A A . 6 LEU CD1 1 1
3 289 1 1 6 LEU CD2 C -1.347 3.024 4.777 1.00 . A A . 6 LEU CD2 1 1
3 290 1 1 6 LEU CG C -0.826 3.137 6.213 1.00 . A A . 6 LEU CG 1 1
3 291 1 1 6 LEU H H 2.996 4.231 7.001 1.00 . A A . 6 LEU H 1 1
3 292 1 1 6 LEU HA H 1.245 3.280 4.868 1.00 . A A . 6 LEU HA 1 1
3 293 1 1 6 LEU HB2 H 0.301 4.555 7.367 1.00 . A A . 6 LEU HB2 1 1
3 294 1 1 6 LEU HB3 H -0.373 5.205 5.872 1.00 . A A . 6 LEU HB3 1 1
3 295 1 1 6 LEU HD11 H -2.316 2.338 7.537 1.00 . A A . 6 LEU HD11 1 1
3 296 1 1 6 LEU HD12 H -2.829 3.775 6.653 1.00 . A A . 6 LEU HD12 1 1
3 297 1 1 6 LEU HD13 H -1.708 3.925 8.006 1.00 . A A . 6 LEU HD13 1 1
3 298 1 1 6 LEU HD21 H -0.920 3.812 4.175 1.00 . A A . 6 LEU HD21 1 1
3 299 1 1 6 LEU HD22 H -2.423 3.113 4.775 1.00 . A A . 6 LEU HD22 1 1
3 300 1 1 6 LEU HD23 H -1.065 2.065 4.368 1.00 . A A . 6 LEU HD23 1 1
3 301 1 1 6 LEU HG H -0.279 2.241 6.471 1.00 . A A . 6 LEU HG 1 1
3 302 1 1 6 LEU N N 2.413 3.578 6.559 1.00 . A A . 6 LEU N 1 1
3 303 1 1 6 LEU O O 2.161 6.332 5.535 1.00 . A A . 6 LEU O 1 1
3 304 1 1 7 CYS C C 1.480 6.700 1.694 1.00 . A A . 7 CYS C 1 1
3 305 1 1 7 CYS CA C 2.485 6.376 2.793 1.00 . A A . 7 CYS CA 1 1
3 306 1 1 7 CYS CB C 3.847 6.079 2.161 1.00 . A A . 7 CYS CB 1 1
3 307 1 1 7 CYS H H 1.810 4.394 3.120 1.00 . A A . 7 CYS H 1 1
3 308 1 1 7 CYS HA H 2.582 7.232 3.444 1.00 . A A . 7 CYS HA 1 1
3 309 1 1 7 CYS HB2 H 3.910 6.574 1.203 1.00 . A A . 7 CYS HB2 1 1
3 310 1 1 7 CYS HB3 H 4.631 6.446 2.803 1.00 . A A . 7 CYS HB3 1 1
3 311 1 1 7 CYS N N 2.031 5.233 3.576 1.00 . A A . 7 CYS N 1 1
3 312 1 1 7 CYS O O 0.908 7.790 1.662 1.00 . A A . 7 CYS O 1 1
3 313 1 1 7 CYS SG S 4.032 4.289 1.924 1.00 . A A . 7 CYS SG 1 1
3 314 1 1 8 ALA C C -1.064 6.249 0.230 1.00 . A A . 8 ALA C 1 1
3 315 1 1 8 ALA CA C 0.330 5.938 -0.304 1.00 . A A . 8 ALA CA 1 1
3 316 1 1 8 ALA CB C 0.278 4.681 -1.174 1.00 . A A . 8 ALA CB 1 1
3 317 1 1 8 ALA H H 1.755 4.897 0.872 1.00 . A A . 8 ALA H 1 1
3 318 1 1 8 ALA HA H 0.667 6.766 -0.911 1.00 . A A . 8 ALA HA 1 1
3 319 1 1 8 ALA HB1 H 0.974 4.781 -1.993 1.00 . A A . 8 ALA HB1 1 1
3 320 1 1 8 ALA HB2 H -0.721 4.553 -1.562 1.00 . A A . 8 ALA HB2 1 1
3 321 1 1 8 ALA HB3 H 0.546 3.820 -0.578 1.00 . A A . 8 ALA HB3 1 1
3 322 1 1 8 ALA N N 1.269 5.745 0.794 1.00 . A A . 8 ALA N 1 1
3 323 1 1 8 ALA O O -1.918 6.599 -0.568 1.00 . A A . 8 ALA O 1 1
3 324 1 1 8 ALA OXT O -1.257 6.133 1.429 1.00 . A A . 8 ALA OXT 1 1
4 325 1 1 1 ILE C C 6.701 5.458 7.706 1.00 . A A . 1 ILE C 1 1
4 326 1 1 1 ILE CA C 6.134 4.825 8.972 1.00 . A A . 1 ILE CA 1 1
4 327 1 1 1 ILE CB C 5.632 5.916 9.920 1.00 . A A . 1 ILE CB 1 1
4 328 1 1 1 ILE CD1 C 6.817 5.886 12.121 1.00 . A A . 1 ILE CD1 1 1
4 329 1 1 1 ILE CG1 C 5.601 5.370 11.350 1.00 . A A . 1 ILE CG1 1 1
4 330 1 1 1 ILE CG2 C 4.224 6.345 9.506 1.00 . A A . 1 ILE CG2 1 1
4 331 1 1 1 ILE H1 H 6.918 3.035 9.689 1.00 . A A . 1 ILE H1 1 1
4 332 1 1 1 ILE H2 H 7.337 4.396 10.616 1.00 . A A . 1 ILE H2 1 1
4 333 1 1 1 ILE H3 H 8.088 4.122 9.117 1.00 . A A . 1 ILE H3 1 1
4 334 1 1 1 ILE HA H 5.315 4.173 8.710 1.00 . A A . 1 ILE HA 1 1
4 335 1 1 1 ILE HB H 6.296 6.767 9.872 1.00 . A A . 1 ILE HB 1 1
4 336 1 1 1 ILE HD11 H 7.676 5.908 11.466 1.00 . A A . 1 ILE HD11 1 1
4 337 1 1 1 ILE HD12 H 7.019 5.231 12.956 1.00 . A A . 1 ILE HD12 1 1
4 338 1 1 1 ILE HD13 H 6.616 6.882 12.486 1.00 . A A . 1 ILE HD13 1 1
4 339 1 1 1 ILE HG12 H 4.696 5.699 11.840 1.00 . A A . 1 ILE HG12 1 1
4 340 1 1 1 ILE HG13 H 5.624 4.291 11.324 1.00 . A A . 1 ILE HG13 1 1
4 341 1 1 1 ILE HG21 H 3.906 7.176 10.118 1.00 . A A . 1 ILE HG21 1 1
4 342 1 1 1 ILE HG22 H 3.541 5.518 9.639 1.00 . A A . 1 ILE HG22 1 1
4 343 1 1 1 ILE HG23 H 4.229 6.644 8.468 1.00 . A A . 1 ILE HG23 1 1
4 344 1 1 1 ILE N N 7.200 4.035 9.649 1.00 . A A . 1 ILE N 1 1
4 345 1 1 1 ILE O O 5.958 5.965 6.865 1.00 . A A . 1 ILE O 1 1
4 346 1 1 2 . C C 7.868 5.633 5.215 1.00 . A A . 2 DBU C 1 1
4 347 1 1 2 . CA C 8.633 5.987 6.443 1.00 . A A . 2 DBU CA 1 1
4 348 1 1 2 . CB C 9.734 6.745 6.369 1.00 . A A . 2 DBU CB 1 1
4 349 1 1 2 . CG C 10.579 7.158 7.576 1.00 . A A . 2 DBU CG 1 1
4 350 1 1 2 . H H 8.635 5.028 8.234 1.00 . A A . 2 DBU H 1 1
4 351 1 1 2 . HB H 10.045 7.090 5.393 1.00 . A A . 2 DBU HB 1 1
4 352 1 1 2 . HG1 H 10.126 8.011 8.058 1.00 . A A . 2 DBU HG1 1 1
4 353 1 1 2 . HG2 H 11.575 7.417 7.246 1.00 . A A . 2 DBU HG2 1 1
4 354 1 1 2 . HG3 H 10.634 6.336 8.273 1.00 . A A . 2 DBU HG3 1 1
4 355 1 1 2 . N N 8.039 5.430 7.568 1.00 . A A . 2 DBU N 1 1
4 356 1 1 2 . O O 7.415 6.497 4.468 1.00 . A A . 2 DBU O 1 1
4 357 1 1 3 DAL C C 6.251 2.534 4.170 1.00 . A A . 3 DAL C 1 1
4 358 1 1 3 DAL CA C 6.966 3.840 3.816 1.00 . A A . 3 DAL CA 1 1
4 359 1 1 3 DAL CB C 5.956 4.908 3.355 1.00 . A A . 3 DAL CB 1 1
4 360 1 1 3 DAL H H 8.072 3.642 5.602 1.00 . A A . 3 DAL H 1 1
4 361 1 1 3 DAL HA H 7.665 3.650 3.014 1.00 . A A . 3 DAL HA 1 1
4 362 1 1 3 DAL HB1 H 6.469 5.646 2.756 1.00 . A A . 3 DAL HB1 1 1
4 363 1 1 3 DAL HB2 H 5.523 5.389 4.220 1.00 . A A . 3 DAL HB2 1 1
4 364 1 1 3 DAL N N 7.707 4.310 4.988 1.00 . A A . 3 DAL N 1 1
4 365 1 1 3 DAL O O 5.313 2.110 3.500 1.00 . A A . 3 DAL O 1 1
4 366 1 1 4 ILE C C 4.714 0.871 6.206 1.00 . A A . 4 ILE C 1 1
4 367 1 1 4 ILE CA C 6.125 0.633 5.680 1.00 . A A . 4 ILE CA 1 1
4 368 1 1 4 ILE CB C 6.983 0.003 6.779 1.00 . A A . 4 ILE CB 1 1
4 369 1 1 4 ILE CD1 C 8.485 0.536 8.702 1.00 . A A . 4 ILE CD1 1 1
4 370 1 1 4 ILE CG1 C 7.868 1.078 7.412 1.00 . A A . 4 ILE CG1 1 1
4 371 1 1 4 ILE CG2 C 7.866 -1.091 6.176 1.00 . A A . 4 ILE CG2 1 1
4 372 1 1 4 ILE H H 7.476 2.267 5.735 1.00 . A A . 4 ILE H 1 1
4 373 1 1 4 ILE HA H 6.077 -0.046 4.842 1.00 . A A . 4 ILE HA 1 1
4 374 1 1 4 ILE HB H 6.341 -0.428 7.534 1.00 . A A . 4 ILE HB 1 1
4 375 1 1 4 ILE HD11 H 9.515 0.857 8.772 1.00 . A A . 4 ILE HD11 1 1
4 376 1 1 4 ILE HD12 H 8.445 -0.543 8.695 1.00 . A A . 4 ILE HD12 1 1
4 377 1 1 4 ILE HD13 H 7.935 0.912 9.552 1.00 . A A . 4 ILE HD13 1 1
4 378 1 1 4 ILE HG12 H 8.653 1.350 6.721 1.00 . A A . 4 ILE HG12 1 1
4 379 1 1 4 ILE HG13 H 7.271 1.948 7.639 1.00 . A A . 4 ILE HG13 1 1
4 380 1 1 4 ILE HG21 H 8.184 -0.793 5.188 1.00 . A A . 4 ILE HG21 1 1
4 381 1 1 4 ILE HG22 H 7.305 -2.012 6.112 1.00 . A A . 4 ILE HG22 1 1
4 382 1 1 4 ILE HG23 H 8.733 -1.240 6.803 1.00 . A A . 4 ILE HG23 1 1
4 383 1 1 4 ILE N N 6.718 1.891 5.238 1.00 . A A . 4 ILE N 1 1
4 384 1 1 4 ILE O O 3.732 0.451 5.593 1.00 . A A . 4 ILE O 1 1
4 385 1 1 5 DHA C C 2.537 2.619 6.936 1.00 . A A . 5 DHA C 1 1
4 386 1 1 5 DHA CA C 3.355 1.825 7.894 1.00 . A A . 5 DHA CA 1 1
4 387 1 1 5 DHA CB C 2.859 1.465 9.085 1.00 . A A . 5 DHA CB 1 1
4 388 1 1 5 DHA H H 5.385 1.904 7.847 1.00 . A A . 5 DHA H 1 1
4 389 1 1 5 DHA HB1 H 3.461 0.889 9.772 1.00 . A A . 5 DHA HB1 1 1
4 390 1 1 5 DHA HB2 H 1.854 1.749 9.363 1.00 . A A . 5 DHA HB2 1 1
4 391 1 1 5 DHA N N 4.609 1.562 7.356 1.00 . A A . 5 DHA N 1 1
4 392 1 1 5 DHA O O 1.889 2.087 6.036 1.00 . A A . 5 DHA O 1 1
4 393 1 1 6 LEU C C 2.397 4.761 4.800 1.00 . A A . 6 LEU C 1 1
4 394 1 1 6 LEU CA C 1.781 4.789 6.198 1.00 . A A . 6 LEU CA 1 1
4 395 1 1 6 LEU CB C 1.746 6.230 6.713 1.00 . A A . 6 LEU CB 1 1
4 396 1 1 6 LEU CD1 C 0.246 8.096 7.437 1.00 . A A . 6 LEU CD1 1 1
4 397 1 1 6 LEU CD2 C -0.247 6.835 5.336 1.00 . A A . 6 LEU CD2 1 1
4 398 1 1 6 LEU CG C 0.298 6.723 6.762 1.00 . A A . 6 LEU CG 1 1
4 399 1 1 6 LEU H H 3.074 4.379 7.822 1.00 . A A . 6 LEU H 1 1
4 400 1 1 6 LEU HA H 0.772 4.410 6.144 1.00 . A A . 6 LEU HA 1 1
4 401 1 1 6 LEU HB2 H 2.173 6.267 7.705 1.00 . A A . 6 LEU HB2 1 1
4 402 1 1 6 LEU HB3 H 2.317 6.864 6.052 1.00 . A A . 6 LEU HB3 1 1
4 403 1 1 6 LEU HD11 H 1.251 8.444 7.624 1.00 . A A . 6 LEU HD11 1 1
4 404 1 1 6 LEU HD12 H -0.286 8.016 8.374 1.00 . A A . 6 LEU HD12 1 1
4 405 1 1 6 LEU HD13 H -0.265 8.796 6.793 1.00 . A A . 6 LEU HD13 1 1
4 406 1 1 6 LEU HD21 H -0.592 5.866 5.006 1.00 . A A . 6 LEU HD21 1 1
4 407 1 1 6 LEU HD22 H 0.535 7.182 4.678 1.00 . A A . 6 LEU HD22 1 1
4 408 1 1 6 LEU HD23 H -1.069 7.535 5.319 1.00 . A A . 6 LEU HD23 1 1
4 409 1 1 6 LEU HG H -0.302 6.023 7.325 1.00 . A A . 6 LEU HG 1 1
4 410 1 1 6 LEU N N 2.555 3.953 7.108 1.00 . A A . 6 LEU N 1 1
4 411 1 1 6 LEU O O 3.574 4.441 4.640 1.00 . A A . 6 LEU O 1 1
4 412 1 1 7 CYS C C 1.965 3.727 1.790 1.00 . A A . 7 CYS C 1 1
4 413 1 1 7 CYS CA C 2.071 5.114 2.418 1.00 . A A . 7 CYS CA 1 1
4 414 1 1 7 CYS CB C 3.523 5.591 2.373 1.00 . A A . 7 CYS CB 1 1
4 415 1 1 7 CYS H H 0.668 5.347 3.986 1.00 . A A . 7 CYS H 1 1
4 416 1 1 7 CYS HA H 1.464 5.801 1.847 1.00 . A A . 7 CYS HA 1 1
4 417 1 1 7 CYS HB2 H 3.682 6.176 1.479 1.00 . A A . 7 CYS HB2 1 1
4 418 1 1 7 CYS HB3 H 3.727 6.200 3.242 1.00 . A A . 7 CYS HB3 1 1
4 419 1 1 7 CYS N N 1.595 5.099 3.797 1.00 . A A . 7 CYS N 1 1
4 420 1 1 7 CYS O O 2.162 3.565 0.587 1.00 . A A . 7 CYS O 1 1
4 421 1 1 7 CYS SG S 4.636 4.163 2.363 1.00 . A A . 7 CYS SG 1 1
4 422 1 1 8 ALA C C 0.274 1.222 1.257 1.00 . A A . 8 ALA C 1 1
4 423 1 1 8 ALA CA C 1.523 1.363 2.120 1.00 . A A . 8 ALA CA 1 1
4 424 1 1 8 ALA CB C 1.449 0.386 3.295 1.00 . A A . 8 ALA CB 1 1
4 425 1 1 8 ALA H H 1.507 2.918 3.563 1.00 . A A . 8 ALA H 1 1
4 426 1 1 8 ALA HA H 2.390 1.123 1.522 1.00 . A A . 8 ALA HA 1 1
4 427 1 1 8 ALA HB1 H 0.561 -0.224 3.201 1.00 . A A . 8 ALA HB1 1 1
4 428 1 1 8 ALA HB2 H 1.408 0.939 4.220 1.00 . A A . 8 ALA HB2 1 1
4 429 1 1 8 ALA HB3 H 2.323 -0.248 3.293 1.00 . A A . 8 ALA HB3 1 1
4 430 1 1 8 ALA N N 1.652 2.731 2.612 1.00 . A A . 8 ALA N 1 1
4 431 1 1 8 ALA O O 0.039 0.130 0.765 1.00 . A A . 8 ALA O 1 1
4 432 1 1 8 ALA OXT O -0.431 2.205 1.101 1.00 . A A . 8 ALA OXT 1 1
5 433 1 1 1 ILE C C 10.293 4.599 4.918 1.00 . A A . 1 ILE C 1 1
5 434 1 1 1 ILE CA C 11.490 3.678 5.128 1.00 . A A . 1 ILE CA 1 1
5 435 1 1 1 ILE CB C 11.320 2.408 4.291 1.00 . A A . 1 ILE CB 1 1
5 436 1 1 1 ILE CD1 C 13.655 1.785 4.928 1.00 . A A . 1 ILE CD1 1 1
5 437 1 1 1 ILE CG1 C 12.207 1.298 4.858 1.00 . A A . 1 ILE CG1 1 1
5 438 1 1 1 ILE CG2 C 11.727 2.695 2.845 1.00 . A A . 1 ILE CG2 1 1
5 439 1 1 1 ILE H1 H 10.944 2.520 6.771 1.00 . A A . 1 ILE H1 1 1
5 440 1 1 1 ILE H2 H 11.324 4.131 7.154 1.00 . A A . 1 ILE H2 1 1
5 441 1 1 1 ILE H3 H 12.563 3.027 6.791 1.00 . A A . 1 ILE H3 1 1
5 442 1 1 1 ILE HA H 12.393 4.189 4.826 1.00 . A A . 1 ILE HA 1 1
5 443 1 1 1 ILE HB H 10.286 2.096 4.318 1.00 . A A . 1 ILE HB 1 1
5 444 1 1 1 ILE HD11 H 13.823 2.525 4.160 1.00 . A A . 1 ILE HD11 1 1
5 445 1 1 1 ILE HD12 H 14.322 0.949 4.774 1.00 . A A . 1 ILE HD12 1 1
5 446 1 1 1 ILE HD13 H 13.842 2.221 5.898 1.00 . A A . 1 ILE HD13 1 1
5 447 1 1 1 ILE HG12 H 11.866 1.036 5.850 1.00 . A A . 1 ILE HG12 1 1
5 448 1 1 1 ILE HG13 H 12.151 0.430 4.217 1.00 . A A . 1 ILE HG13 1 1
5 449 1 1 1 ILE HG21 H 11.822 1.764 2.307 1.00 . A A . 1 ILE HG21 1 1
5 450 1 1 1 ILE HG22 H 12.673 3.215 2.834 1.00 . A A . 1 ILE HG22 1 1
5 451 1 1 1 ILE HG23 H 10.973 3.308 2.373 1.00 . A A . 1 ILE HG23 1 1
5 452 1 1 1 ILE N N 11.588 3.312 6.569 1.00 . A A . 1 ILE N 1 1
5 453 1 1 1 ILE O O 9.501 4.825 5.833 1.00 . A A . 1 ILE O 1 1
5 454 1 1 2 . C C 7.964 5.232 2.804 1.00 . A A . 2 DBU C 1 1
5 455 1 1 2 . CA C 9.088 5.984 3.421 1.00 . A A . 2 DBU CA 1 1
5 456 1 1 2 . CB C 8.982 7.296 3.645 1.00 . A A . 2 DBU CB 1 1
5 457 1 1 2 . CG C 10.080 8.158 4.272 1.00 . A A . 2 DBU CG 1 1
5 458 1 1 2 . H H 10.782 4.960 2.958 1.00 . A A . 2 DBU H 1 1
5 459 1 1 2 . HB H 8.061 7.777 3.365 1.00 . A A . 2 DBU HB 1 1
5 460 1 1 2 . HG1 H 10.871 8.313 3.553 1.00 . A A . 2 DBU HG1 1 1
5 461 1 1 2 . HG2 H 10.479 7.657 5.142 1.00 . A A . 2 DBU HG2 1 1
5 462 1 1 2 . HG3 H 9.666 9.111 4.565 1.00 . A A . 2 DBU HG3 1 1
5 463 1 1 2 . N N 10.156 5.137 3.692 1.00 . A A . 2 DBU N 1 1
5 464 1 1 2 . O O 7.275 5.715 1.905 1.00 . A A . 2 DBU O 1 1
5 465 1 1 3 DAL C C 6.150 2.248 3.865 1.00 . A A . 3 DAL C 1 1
5 466 1 1 3 DAL CA C 6.669 3.173 2.771 1.00 . A A . 3 DAL CA 1 1
5 467 1 1 3 DAL CB C 5.528 4.062 2.277 1.00 . A A . 3 DAL CB 1 1
5 468 1 1 3 DAL H H 8.307 3.638 4.014 1.00 . A A . 3 DAL H 1 1
5 469 1 1 3 DAL HA H 7.038 2.580 1.948 1.00 . A A . 3 DAL HA 1 1
5 470 1 1 3 DAL HB1 H 5.699 4.332 1.245 1.00 . A A . 3 DAL HB1 1 1
5 471 1 1 3 DAL HB2 H 5.491 4.955 2.880 1.00 . A A . 3 DAL HB2 1 1
5 472 1 1 3 DAL N N 7.754 3.998 3.297 1.00 . A A . 3 DAL N 1 1
5 473 1 1 3 DAL O O 5.270 1.418 3.634 1.00 . A A . 3 DAL O 1 1
5 474 1 1 4 ILE C C 5.006 2.038 6.784 1.00 . A A . 4 ILE C 1 1
5 475 1 1 4 ILE CA C 6.324 1.557 6.187 1.00 . A A . 4 ILE CA 1 1
5 476 1 1 4 ILE CB C 7.411 1.586 7.264 1.00 . A A . 4 ILE CB 1 1
5 477 1 1 4 ILE CD1 C 7.496 4.082 7.118 1.00 . A A . 4 ILE CD1 1 1
5 478 1 1 4 ILE CG1 C 8.323 2.795 7.043 1.00 . A A . 4 ILE CG1 1 1
5 479 1 1 4 ILE CG2 C 8.239 0.304 7.186 1.00 . A A . 4 ILE CG2 1 1
5 480 1 1 4 ILE H H 7.423 3.061 5.175 1.00 . A A . 4 ILE H 1 1
5 481 1 1 4 ILE HA H 6.202 0.540 5.846 1.00 . A A . 4 ILE HA 1 1
5 482 1 1 4 ILE HB H 6.948 1.655 8.238 1.00 . A A . 4 ILE HB 1 1
5 483 1 1 4 ILE HD11 H 8.039 4.827 7.680 1.00 . A A . 4 ILE HD11 1 1
5 484 1 1 4 ILE HD12 H 6.556 3.877 7.606 1.00 . A A . 4 ILE HD12 1 1
5 485 1 1 4 ILE HD13 H 7.309 4.449 6.119 1.00 . A A . 4 ILE HD13 1 1
5 486 1 1 4 ILE HG12 H 9.087 2.814 7.807 1.00 . A A . 4 ILE HG12 1 1
5 487 1 1 4 ILE HG13 H 8.788 2.724 6.071 1.00 . A A . 4 ILE HG13 1 1
5 488 1 1 4 ILE HG21 H 7.581 -0.552 7.218 1.00 . A A . 4 ILE HG21 1 1
5 489 1 1 4 ILE HG22 H 8.922 0.265 8.022 1.00 . A A . 4 ILE HG22 1 1
5 490 1 1 4 ILE HG23 H 8.799 0.293 6.263 1.00 . A A . 4 ILE HG23 1 1
5 491 1 1 4 ILE N N 6.718 2.390 5.057 1.00 . A A . 4 ILE N 1 1
5 492 1 1 4 ILE O O 4.654 3.212 6.681 1.00 . A A . 4 ILE O 1 1
5 493 1 1 5 DHA C C 2.225 2.263 7.065 1.00 . A A . 5 DHA C 1 1
5 494 1 1 5 DHA CA C 3.057 1.462 8.007 1.00 . A A . 5 DHA CA 1 1
5 495 1 1 5 DHA CB C 2.603 1.169 9.232 1.00 . A A . 5 DHA CB 1 1
5 496 1 1 5 DHA H H 4.551 0.177 7.514 1.00 . A A . 5 DHA H 1 1
5 497 1 1 5 DHA HB1 H 3.209 0.587 9.912 1.00 . A A . 5 DHA HB1 1 1
5 498 1 1 5 DHA HB2 H 1.629 1.514 9.546 1.00 . A A . 5 DHA HB2 1 1
5 499 1 1 5 DHA N N 4.271 1.113 7.425 1.00 . A A . 5 DHA N 1 1
5 500 1 1 5 DHA O O 1.446 1.735 6.274 1.00 . A A . 5 DHA O 1 1
5 501 1 1 6 LEU C C 2.446 5.050 5.152 1.00 . A A . 6 LEU C 1 1
5 502 1 1 6 LEU CA C 1.577 4.443 6.251 1.00 . A A . 6 LEU CA 1 1
5 503 1 1 6 LEU CB C 0.911 5.565 7.054 1.00 . A A . 6 LEU CB 1 1
5 504 1 1 6 LEU CD1 C 0.792 6.649 9.303 1.00 . A A . 6 LEU CD1 1 1
5 505 1 1 6 LEU CD2 C 0.491 4.179 9.086 1.00 . A A . 6 LEU CD2 1 1
5 506 1 1 6 LEU CG C 1.235 5.399 8.539 1.00 . A A . 6 LEU CG 1 1
5 507 1 1 6 LEU H H 2.988 4.019 7.771 1.00 . A A . 6 LEU H 1 1
5 508 1 1 6 LEU HA H 0.808 3.840 5.794 1.00 . A A . 6 LEU HA 1 1
5 509 1 1 6 LEU HB2 H 1.276 6.521 6.710 1.00 . A A . 6 LEU HB2 1 1
5 510 1 1 6 LEU HB3 H -0.159 5.518 6.915 1.00 . A A . 6 LEU HB3 1 1
5 511 1 1 6 LEU HD11 H 0.195 7.275 8.655 1.00 . A A . 6 LEU HD11 1 1
5 512 1 1 6 LEU HD12 H 1.663 7.197 9.631 1.00 . A A . 6 LEU HD12 1 1
5 513 1 1 6 LEU HD13 H 0.205 6.357 10.162 1.00 . A A . 6 LEU HD13 1 1
5 514 1 1 6 LEU HD21 H 1.114 3.671 9.807 1.00 . A A . 6 LEU HD21 1 1
5 515 1 1 6 LEU HD22 H 0.258 3.507 8.274 1.00 . A A . 6 LEU HD22 1 1
5 516 1 1 6 LEU HD23 H -0.424 4.499 9.562 1.00 . A A . 6 LEU HD23 1 1
5 517 1 1 6 LEU HG H 2.299 5.262 8.663 1.00 . A A . 6 LEU HG 1 1
5 518 1 1 6 LEU N N 2.370 3.598 7.138 1.00 . A A . 6 LEU N 1 1
5 519 1 1 6 LEU O O 3.540 5.548 5.415 1.00 . A A . 6 LEU O 1 1
5 520 1 1 7 CYS C C 1.889 6.716 2.174 1.00 . A A . 7 CYS C 1 1
5 521 1 1 7 CYS CA C 2.672 5.566 2.789 1.00 . A A . 7 CYS CA 1 1
5 522 1 1 7 CYS CB C 2.905 4.485 1.733 1.00 . A A . 7 CYS CB 1 1
5 523 1 1 7 CYS H H 1.064 4.605 3.774 1.00 . A A . 7 CYS H 1 1
5 524 1 1 7 CYS HA H 3.622 5.937 3.132 1.00 . A A . 7 CYS HA 1 1
5 525 1 1 7 CYS HB2 H 1.955 4.064 1.435 1.00 . A A . 7 CYS HB2 1 1
5 526 1 1 7 CYS HB3 H 3.388 4.922 0.872 1.00 . A A . 7 CYS HB3 1 1
5 527 1 1 7 CYS N N 1.943 5.010 3.923 1.00 . A A . 7 CYS N 1 1
5 528 1 1 7 CYS O O 2.171 7.153 1.059 1.00 . A A . 7 CYS O 1 1
5 529 1 1 7 CYS SG S 3.954 3.179 2.417 1.00 . A A . 7 CYS SG 1 1
5 530 1 1 8 ALA C C 0.274 9.536 3.312 1.00 . A A . 8 ALA C 1 1
5 531 1 1 8 ALA CA C 0.068 8.298 2.445 1.00 . A A . 8 ALA CA 1 1
5 532 1 1 8 ALA CB C -1.405 7.889 2.479 1.00 . A A . 8 ALA CB 1 1
5 533 1 1 8 ALA H H 0.730 6.802 3.794 1.00 . A A . 8 ALA H 1 1
5 534 1 1 8 ALA HA H 0.341 8.535 1.427 1.00 . A A . 8 ALA HA 1 1
5 535 1 1 8 ALA HB1 H -1.913 8.302 1.620 1.00 . A A . 8 ALA HB1 1 1
5 536 1 1 8 ALA HB2 H -1.862 8.265 3.382 1.00 . A A . 8 ALA HB2 1 1
5 537 1 1 8 ALA HB3 H -1.480 6.812 2.458 1.00 . A A . 8 ALA HB3 1 1
5 538 1 1 8 ALA N N 0.902 7.197 2.914 1.00 . A A . 8 ALA N 1 1
5 539 1 1 8 ALA O O 0.052 9.440 4.508 1.00 . A A . 8 ALA O 1 1
5 540 1 1 8 ALA OXT O 0.651 10.561 2.768 1.00 . A A . 8 ALA OXT 1 1
6 541 1 1 1 ILE C C 10.636 3.968 4.640 1.00 . A A . 1 ILE C 1 1
6 542 1 1 1 ILE CA C 11.710 3.025 4.108 1.00 . A A . 1 ILE CA 1 1
6 543 1 1 1 ILE CB C 13.042 3.768 3.987 1.00 . A A . 1 ILE CB 1 1
6 544 1 1 1 ILE CD1 C 13.580 3.932 1.541 1.00 . A A . 1 ILE CD1 1 1
6 545 1 1 1 ILE CG1 C 13.006 4.676 2.750 1.00 . A A . 1 ILE CG1 1 1
6 546 1 1 1 ILE CG2 C 14.182 2.755 3.856 1.00 . A A . 1 ILE CG2 1 1
6 547 1 1 1 ILE H1 H 11.783 1.612 2.581 1.00 . A A . 1 ILE H1 1 1
6 548 1 1 1 ILE H2 H 11.570 3.209 2.039 1.00 . A A . 1 ILE H2 1 1
6 549 1 1 1 ILE H3 H 10.275 2.370 2.750 1.00 . A A . 1 ILE H3 1 1
6 550 1 1 1 ILE HA H 11.825 2.194 4.787 1.00 . A A . 1 ILE HA 1 1
6 551 1 1 1 ILE HB H 13.198 4.369 4.871 1.00 . A A . 1 ILE HB 1 1
6 552 1 1 1 ILE HD11 H 14.653 3.859 1.639 1.00 . A A . 1 ILE HD11 1 1
6 553 1 1 1 ILE HD12 H 13.338 4.473 0.638 1.00 . A A . 1 ILE HD12 1 1
6 554 1 1 1 ILE HD13 H 13.154 2.941 1.491 1.00 . A A . 1 ILE HD13 1 1
6 555 1 1 1 ILE HG12 H 11.984 4.960 2.545 1.00 . A A . 1 ILE HG12 1 1
6 556 1 1 1 ILE HG13 H 13.595 5.561 2.938 1.00 . A A . 1 ILE HG13 1 1
6 557 1 1 1 ILE HG21 H 15.069 3.257 3.497 1.00 . A A . 1 ILE HG21 1 1
6 558 1 1 1 ILE HG22 H 13.899 1.983 3.155 1.00 . A A . 1 ILE HG22 1 1
6 559 1 1 1 ILE HG23 H 14.383 2.313 4.819 1.00 . A A . 1 ILE HG23 1 1
6 560 1 1 1 ILE N N 11.303 2.516 2.768 1.00 . A A . 1 ILE N 1 1
6 561 1 1 1 ILE O O 10.357 3.993 5.839 1.00 . A A . 1 ILE O 1 1
6 562 1 1 2 . C C 7.688 5.159 3.751 1.00 . A A . 2 DBU C 1 1
6 563 1 1 2 . CA C 9.037 5.644 4.153 1.00 . A A . 2 DBU CA 1 1
6 564 1 1 2 . CB C 9.173 6.791 4.825 1.00 . A A . 2 DBU CB 1 1
6 565 1 1 2 . CG C 10.513 7.372 5.283 1.00 . A A . 2 DBU CG 1 1
6 566 1 1 2 . H H 10.242 4.746 2.783 1.00 . A A . 2 DBU H 1 1
6 567 1 1 2 . HB H 8.277 7.344 5.059 1.00 . A A . 2 DBU HB 1 1
6 568 1 1 2 . HG1 H 10.367 7.944 6.188 1.00 . A A . 2 DBU HG1 1 1
6 569 1 1 2 . HG2 H 10.911 8.014 4.511 1.00 . A A . 2 DBU HG2 1 1
6 570 1 1 2 . HG3 H 11.208 6.566 5.474 1.00 . A A . 2 DBU HG3 1 1
6 571 1 1 2 . N N 10.025 4.758 3.739 1.00 . A A . 2 DBU N 1 1
6 572 1 1 2 . O O 6.841 5.914 3.280 1.00 . A A . 2 DBU O 1 1
6 573 1 1 3 DAL C C 5.865 2.084 4.516 1.00 . A A . 3 DAL C 1 1
6 574 1 1 3 DAL CA C 6.172 3.253 3.588 1.00 . A A . 3 DAL CA 1 1
6 575 1 1 3 DAL CB C 5.043 4.282 3.714 1.00 . A A . 3 DAL CB 1 1
6 576 1 1 3 DAL H H 8.157 3.262 4.317 1.00 . A A . 3 DAL H 1 1
6 577 1 1 3 DAL HA H 6.212 2.896 2.569 1.00 . A A . 3 DAL HA 1 1
6 578 1 1 3 DAL HB1 H 5.302 5.014 4.463 1.00 . A A . 3 DAL HB1 1 1
6 579 1 1 3 DAL HB2 H 4.136 3.777 4.011 1.00 . A A . 3 DAL HB2 1 1
6 580 1 1 3 DAL N N 7.466 3.844 3.939 1.00 . A A . 3 DAL N 1 1
6 581 1 1 3 DAL O O 4.755 1.550 4.512 1.00 . A A . 3 DAL O 1 1
6 582 1 1 4 ILE C C 5.351 0.722 6.984 1.00 . A A . 4 ILE C 1 1
6 583 1 1 4 ILE CA C 6.676 0.585 6.241 1.00 . A A . 4 ILE CA 1 1
6 584 1 1 4 ILE CB C 7.830 0.558 7.243 1.00 . A A . 4 ILE CB 1 1
6 585 1 1 4 ILE CD1 C 10.242 -0.092 7.370 1.00 . A A . 4 ILE CD1 1 1
6 586 1 1 4 ILE CG1 C 9.159 0.528 6.484 1.00 . A A . 4 ILE CG1 1 1
6 587 1 1 4 ILE CG2 C 7.717 -0.691 8.118 1.00 . A A . 4 ILE CG2 1 1
6 588 1 1 4 ILE H H 7.717 2.154 5.270 1.00 . A A . 4 ILE H 1 1
6 589 1 1 4 ILE HA H 6.672 -0.342 5.688 1.00 . A A . 4 ILE HA 1 1
6 590 1 1 4 ILE HB H 7.789 1.439 7.866 1.00 . A A . 4 ILE HB 1 1
6 591 1 1 4 ILE HD11 H 10.255 -1.162 7.227 1.00 . A A . 4 ILE HD11 1 1
6 592 1 1 4 ILE HD12 H 10.029 0.130 8.406 1.00 . A A . 4 ILE HD12 1 1
6 593 1 1 4 ILE HD13 H 11.204 0.320 7.104 1.00 . A A . 4 ILE HD13 1 1
6 594 1 1 4 ILE HG12 H 9.047 -0.062 5.586 1.00 . A A . 4 ILE HG12 1 1
6 595 1 1 4 ILE HG13 H 9.446 1.535 6.221 1.00 . A A . 4 ILE HG13 1 1
6 596 1 1 4 ILE HG21 H 6.683 -0.848 8.390 1.00 . A A . 4 ILE HG21 1 1
6 597 1 1 4 ILE HG22 H 8.308 -0.559 9.013 1.00 . A A . 4 ILE HG22 1 1
6 598 1 1 4 ILE HG23 H 8.080 -1.548 7.571 1.00 . A A . 4 ILE HG23 1 1
6 599 1 1 4 ILE N N 6.854 1.692 5.310 1.00 . A A . 4 ILE N 1 1
6 600 1 1 4 ILE O O 4.704 -0.273 7.311 1.00 . A A . 4 ILE O 1 1
6 601 1 1 5 DHA C C 2.632 2.412 6.952 1.00 . A A . 5 DHA C 1 1
6 602 1 1 5 DHA CA C 3.739 2.184 7.921 1.00 . A A . 5 DHA CA 1 1
6 603 1 1 5 DHA CB C 3.508 2.201 9.241 1.00 . A A . 5 DHA CB 1 1
6 604 1 1 5 DHA H H 5.448 2.771 6.990 1.00 . A A . 5 DHA H 1 1
6 605 1 1 5 DHA HB1 H 4.319 2.036 9.935 1.00 . A A . 5 DHA HB1 1 1
6 606 1 1 5 DHA HB2 H 2.511 2.380 9.615 1.00 . A A . 5 DHA HB2 1 1
6 607 1 1 5 DHA N N 4.939 1.975 7.251 1.00 . A A . 5 DHA N 1 1
6 608 1 1 5 DHA O O 1.924 1.492 6.544 1.00 . A A . 5 DHA O 1 1
6 609 1 1 6 LEU C C 1.711 5.241 4.805 1.00 . A A . 6 LEU C 1 1
6 610 1 1 6 LEU CA C 1.386 3.978 5.595 1.00 . A A . 6 LEU CA 1 1
6 611 1 1 6 LEU CB C 0.059 4.164 6.334 1.00 . A A . 6 LEU CB 1 1
6 612 1 1 6 LEU CD1 C -1.064 4.068 4.101 1.00 . A A . 6 LEU CD1 1 1
6 613 1 1 6 LEU CD2 C -0.865 2.001 5.491 1.00 . A A . 6 LEU CD2 1 1
6 614 1 1 6 LEU CG C -1.070 3.517 5.530 1.00 . A A . 6 LEU CG 1 1
6 615 1 1 6 LEU H H 3.017 4.415 6.870 1.00 . A A . 6 LEU H 1 1
6 616 1 1 6 LEU HA H 1.291 3.150 4.909 1.00 . A A . 6 LEU HA 1 1
6 617 1 1 6 LEU HB2 H 0.121 3.700 7.308 1.00 . A A . 6 LEU HB2 1 1
6 618 1 1 6 LEU HB3 H -0.143 5.218 6.450 1.00 . A A . 6 LEU HB3 1 1
6 619 1 1 6 LEU HD11 H -0.743 5.099 4.115 1.00 . A A . 6 LEU HD11 1 1
6 620 1 1 6 LEU HD12 H -2.060 4.007 3.688 1.00 . A A . 6 LEU HD12 1 1
6 621 1 1 6 LEU HD13 H -0.387 3.487 3.493 1.00 . A A . 6 LEU HD13 1 1
6 622 1 1 6 LEU HD21 H -0.360 1.728 4.575 1.00 . A A . 6 LEU HD21 1 1
6 623 1 1 6 LEU HD22 H -1.824 1.506 5.535 1.00 . A A . 6 LEU HD22 1 1
6 624 1 1 6 LEU HD23 H -0.265 1.698 6.335 1.00 . A A . 6 LEU HD23 1 1
6 625 1 1 6 LEU HG H -2.018 3.743 5.997 1.00 . A A . 6 LEU HG 1 1
6 626 1 1 6 LEU N N 2.452 3.682 6.546 1.00 . A A . 6 LEU N 1 1
6 627 1 1 6 LEU O O 1.698 6.347 5.347 1.00 . A A . 6 LEU O 1 1
6 628 1 1 7 CYS C C 1.943 5.901 1.215 1.00 . A A . 7 CYS C 1 1
6 629 1 1 7 CYS CA C 2.326 6.201 2.661 1.00 . A A . 7 CYS CA 1 1
6 630 1 1 7 CYS CB C 3.822 6.511 2.744 1.00 . A A . 7 CYS CB 1 1
6 631 1 1 7 CYS H H 1.995 4.164 3.142 1.00 . A A . 7 CYS H 1 1
6 632 1 1 7 CYS HA H 1.772 7.065 2.997 1.00 . A A . 7 CYS HA 1 1
6 633 1 1 7 CYS HB2 H 4.041 7.384 2.147 1.00 . A A . 7 CYS HB2 1 1
6 634 1 1 7 CYS HB3 H 4.093 6.703 3.771 1.00 . A A . 7 CYS HB3 1 1
6 635 1 1 7 CYS N N 2.000 5.068 3.519 1.00 . A A . 7 CYS N 1 1
6 636 1 1 7 CYS O O 1.903 6.798 0.374 1.00 . A A . 7 CYS O 1 1
6 637 1 1 7 CYS SG S 4.772 5.100 2.120 1.00 . A A . 7 CYS SG 1 1
6 638 1 1 8 ALA C C -0.167 3.732 -0.430 1.00 . A A . 8 ALA C 1 1
6 639 1 1 8 ALA CA C 1.279 4.221 -0.409 1.00 . A A . 8 ALA CA 1 1
6 640 1 1 8 ALA CB C 2.203 3.103 -0.894 1.00 . A A . 8 ALA CB 1 1
6 641 1 1 8 ALA H H 1.707 3.962 1.649 1.00 . A A . 8 ALA H 1 1
6 642 1 1 8 ALA HA H 1.374 5.065 -1.076 1.00 . A A . 8 ALA HA 1 1
6 643 1 1 8 ALA HB1 H 3.016 3.528 -1.462 1.00 . A A . 8 ALA HB1 1 1
6 644 1 1 8 ALA HB2 H 1.645 2.419 -1.518 1.00 . A A . 8 ALA HB2 1 1
6 645 1 1 8 ALA HB3 H 2.599 2.570 -0.042 1.00 . A A . 8 ALA HB3 1 1
6 646 1 1 8 ALA N N 1.660 4.633 0.937 1.00 . A A . 8 ALA N 1 1
6 647 1 1 8 ALA O O -0.657 3.349 0.619 1.00 . A A . 8 ALA O 1 1
6 648 1 1 8 ALA OXT O -0.762 3.750 -1.495 1.00 . A A . 8 ALA OXT 1 1
7 649 1 1 1 ILE C C 9.686 5.757 4.179 1.00 . A A . 1 ILE C 1 1
7 650 1 1 1 ILE CA C 11.023 5.492 4.864 1.00 . A A . 1 ILE CA 1 1
7 651 1 1 1 ILE CB C 11.937 6.710 4.717 1.00 . A A . 1 ILE CB 1 1
7 652 1 1 1 ILE CD1 C 12.179 9.028 5.621 1.00 . A A . 1 ILE CD1 1 1
7 653 1 1 1 ILE CG1 C 11.181 7.969 5.151 1.00 . A A . 1 ILE CG1 1 1
7 654 1 1 1 ILE CG2 C 12.369 6.854 3.256 1.00 . A A . 1 ILE CG2 1 1
7 655 1 1 1 ILE H1 H 12.496 4.619 3.678 1.00 . A A . 1 ILE H1 1 1
7 656 1 1 1 ILE H2 H 10.994 3.827 3.615 1.00 . A A . 1 ILE H2 1 1
7 657 1 1 1 ILE H3 H 11.993 3.653 4.979 1.00 . A A . 1 ILE H3 1 1
7 658 1 1 1 ILE HA H 10.856 5.295 5.913 1.00 . A A . 1 ILE HA 1 1
7 659 1 1 1 ILE HB H 12.811 6.582 5.338 1.00 . A A . 1 ILE HB 1 1
7 660 1 1 1 ILE HD11 H 12.700 8.669 6.496 1.00 . A A . 1 ILE HD11 1 1
7 661 1 1 1 ILE HD12 H 11.651 9.938 5.865 1.00 . A A . 1 ILE HD12 1 1
7 662 1 1 1 ILE HD13 H 12.892 9.226 4.834 1.00 . A A . 1 ILE HD13 1 1
7 663 1 1 1 ILE HG12 H 10.613 8.354 4.317 1.00 . A A . 1 ILE HG12 1 1
7 664 1 1 1 ILE HG13 H 10.510 7.724 5.962 1.00 . A A . 1 ILE HG13 1 1
7 665 1 1 1 ILE HG21 H 13.421 6.628 3.168 1.00 . A A . 1 ILE HG21 1 1
7 666 1 1 1 ILE HG22 H 12.189 7.866 2.924 1.00 . A A . 1 ILE HG22 1 1
7 667 1 1 1 ILE HG23 H 11.801 6.169 2.643 1.00 . A A . 1 ILE HG23 1 1
7 668 1 1 1 ILE N N 11.677 4.309 4.237 1.00 . A A . 1 ILE N 1 1
7 669 1 1 1 ILE O O 9.626 5.940 2.964 1.00 . A A . 1 ILE O 1 1
7 670 1 1 2 . C C 6.637 4.725 4.159 1.00 . A A . 2 DBU C 1 1
7 671 1 1 2 . CA C 7.344 6.010 4.421 1.00 . A A . 2 DBU CA 1 1
7 672 1 1 2 . CB C 6.762 7.181 4.130 1.00 . A A . 2 DBU CB 1 1
7 673 1 1 2 . CG C 7.411 8.547 4.363 1.00 . A A . 2 DBU CG 1 1
7 674 1 1 2 . H H 8.640 5.630 5.938 1.00 . A A . 2 DBU H 1 1
7 675 1 1 2 . HB H 5.771 7.160 3.703 1.00 . A A . 2 DBU HB 1 1
7 676 1 1 2 . HG1 H 6.864 9.303 3.819 1.00 . A A . 2 DBU HG1 1 1
7 677 1 1 2 . HG2 H 8.435 8.524 4.017 1.00 . A A . 2 DBU HG2 1 1
7 678 1 1 2 . HG3 H 7.393 8.779 5.418 1.00 . A A . 2 DBU HG3 1 1
7 679 1 1 2 . N N 8.599 5.775 4.971 1.00 . A A . 2 DBU N 1 1
7 680 1 1 2 . O O 5.729 4.320 4.886 1.00 . A A . 2 DBU O 1 1
7 681 1 1 3 DAL C C 6.058 2.004 4.038 1.00 . A A . 3 DAL C 1 1
7 682 1 1 3 DAL CA C 6.403 2.766 2.762 1.00 . A A . 3 DAL CA 1 1
7 683 1 1 3 DAL CB C 5.130 3.015 1.953 1.00 . A A . 3 DAL CB 1 1
7 684 1 1 3 DAL H H 7.771 4.358 2.504 1.00 . A A . 3 DAL H 1 1
7 685 1 1 3 DAL HA H 7.080 2.168 2.171 1.00 . A A . 3 DAL HA 1 1
7 686 1 1 3 DAL HB1 H 4.779 2.082 1.537 1.00 . A A . 3 DAL HB1 1 1
7 687 1 1 3 DAL HB2 H 5.342 3.708 1.152 1.00 . A A . 3 DAL HB2 1 1
7 688 1 1 3 DAL N N 7.050 4.035 3.081 1.00 . A A . 3 DAL N 1 1
7 689 1 1 3 DAL O O 5.161 1.161 4.044 1.00 . A A . 3 DAL O 1 1
7 690 1 1 4 ILE C C 5.212 2.103 6.995 1.00 . A A . 4 ILE C 1 1
7 691 1 1 4 ILE CA C 6.534 1.643 6.390 1.00 . A A . 4 ILE CA 1 1
7 692 1 1 4 ILE CB C 7.674 1.947 7.363 1.00 . A A . 4 ILE CB 1 1
7 693 1 1 4 ILE CD1 C 10.034 2.730 7.110 1.00 . A A . 4 ILE CD1 1 1
7 694 1 1 4 ILE CG1 C 9.016 1.669 6.684 1.00 . A A . 4 ILE CG1 1 1
7 695 1 1 4 ILE CG2 C 7.538 1.060 8.602 1.00 . A A . 4 ILE CG2 1 1
7 696 1 1 4 ILE H H 7.478 2.986 5.051 1.00 . A A . 4 ILE H 1 1
7 697 1 1 4 ILE HA H 6.492 0.576 6.227 1.00 . A A . 4 ILE HA 1 1
7 698 1 1 4 ILE HB H 7.626 2.986 7.659 1.00 . A A . 4 ILE HB 1 1
7 699 1 1 4 ILE HD11 H 10.968 2.560 6.595 1.00 . A A . 4 ILE HD11 1 1
7 700 1 1 4 ILE HD12 H 10.194 2.666 8.177 1.00 . A A . 4 ILE HD12 1 1
7 701 1 1 4 ILE HD13 H 9.657 3.711 6.861 1.00 . A A . 4 ILE HD13 1 1
7 702 1 1 4 ILE HG12 H 9.372 0.692 6.975 1.00 . A A . 4 ILE HG12 1 1
7 703 1 1 4 ILE HG13 H 8.893 1.704 5.612 1.00 . A A . 4 ILE HG13 1 1
7 704 1 1 4 ILE HG21 H 8.298 1.325 9.321 1.00 . A A . 4 ILE HG21 1 1
7 705 1 1 4 ILE HG22 H 7.656 0.024 8.318 1.00 . A A . 4 ILE HG22 1 1
7 706 1 1 4 ILE HG23 H 6.561 1.202 9.041 1.00 . A A . 4 ILE HG23 1 1
7 707 1 1 4 ILE N N 6.775 2.307 5.115 1.00 . A A . 4 ILE N 1 1
7 708 1 1 4 ILE O O 4.921 3.297 7.040 1.00 . A A . 4 ILE O 1 1
7 709 1 1 5 DHA C C 2.293 2.135 7.037 1.00 . A A . 5 DHA C 1 1
7 710 1 1 5 DHA CA C 3.179 1.481 8.040 1.00 . A A . 5 DHA CA 1 1
7 711 1 1 5 DHA CB C 2.762 1.291 9.299 1.00 . A A . 5 DHA CB 1 1
7 712 1 1 5 DHA H H 4.628 0.188 7.439 1.00 . A A . 5 DHA H 1 1
7 713 1 1 5 DHA HB1 H 3.411 0.816 10.020 1.00 . A A . 5 DHA HB1 1 1
7 714 1 1 5 DHA HB2 H 1.775 1.612 9.597 1.00 . A A . 5 DHA HB2 1 1
7 715 1 1 5 DHA N N 4.401 1.141 7.470 1.00 . A A . 5 DHA N 1 1
7 716 1 1 5 DHA O O 1.488 1.494 6.362 1.00 . A A . 5 DHA O 1 1
7 717 1 1 6 LEU C C 2.436 5.024 5.014 1.00 . A A . 6 LEU C 1 1
7 718 1 1 6 LEU CA C 1.584 4.176 5.954 1.00 . A A . 6 LEU CA 1 1
7 719 1 1 6 LEU CB C 0.592 5.076 6.691 1.00 . A A . 6 LEU CB 1 1
7 720 1 1 6 LEU CD1 C -1.334 5.091 8.282 1.00 . A A . 6 LEU CD1 1 1
7 721 1 1 6 LEU CD2 C -1.377 3.595 6.281 1.00 . A A . 6 LEU CD2 1 1
7 722 1 1 6 LEU CG C -0.484 4.217 7.357 1.00 . A A . 6 LEU CG 1 1
7 723 1 1 6 LEU H H 3.063 3.979 7.454 1.00 . A A . 6 LEU H 1 1
7 724 1 1 6 LEU HA H 1.033 3.453 5.371 1.00 . A A . 6 LEU HA 1 1
7 725 1 1 6 LEU HB2 H 1.115 5.646 7.445 1.00 . A A . 6 LEU HB2 1 1
7 726 1 1 6 LEU HB3 H 0.127 5.750 5.989 1.00 . A A . 6 LEU HB3 1 1
7 727 1 1 6 LEU HD11 H -2.322 4.665 8.372 1.00 . A A . 6 LEU HD11 1 1
7 728 1 1 6 LEU HD12 H -1.408 6.087 7.868 1.00 . A A . 6 LEU HD12 1 1
7 729 1 1 6 LEU HD13 H -0.872 5.139 9.256 1.00 . A A . 6 LEU HD13 1 1
7 730 1 1 6 LEU HD21 H -1.190 2.532 6.229 1.00 . A A . 6 LEU HD21 1 1
7 731 1 1 6 LEU HD22 H -1.156 4.045 5.324 1.00 . A A . 6 LEU HD22 1 1
7 732 1 1 6 LEU HD23 H -2.414 3.766 6.529 1.00 . A A . 6 LEU HD23 1 1
7 733 1 1 6 LEU HG H -0.013 3.434 7.935 1.00 . A A . 6 LEU HG 1 1
7 734 1 1 6 LEU N N 2.424 3.469 6.915 1.00 . A A . 6 LEU N 1 1
7 735 1 1 6 LEU O O 3.560 5.398 5.346 1.00 . A A . 6 LEU O 1 1
7 736 1 1 7 CYS C C 1.636 6.635 1.784 1.00 . A A . 7 CYS C 1 1
7 737 1 1 7 CYS CA C 2.599 6.136 2.858 1.00 . A A . 7 CYS CA 1 1
7 738 1 1 7 CYS CB C 3.714 5.316 2.205 1.00 . A A . 7 CYS CB 1 1
7 739 1 1 7 CYS H H 0.985 5.002 3.635 1.00 . A A . 7 CYS H 1 1
7 740 1 1 7 CYS HA H 3.037 6.986 3.357 1.00 . A A . 7 CYS HA 1 1
7 741 1 1 7 CYS HB2 H 3.485 5.163 1.161 1.00 . A A . 7 CYS HB2 1 1
7 742 1 1 7 CYS HB3 H 4.649 5.849 2.293 1.00 . A A . 7 CYS HB3 1 1
7 743 1 1 7 CYS N N 1.887 5.326 3.842 1.00 . A A . 7 CYS N 1 1
7 744 1 1 7 CYS O O 1.917 7.615 1.093 1.00 . A A . 7 CYS O 1 1
7 745 1 1 7 CYS SG S 3.854 3.712 3.031 1.00 . A A . 7 CYS SG 1 1
7 746 1 1 8 ALA C C -1.358 7.483 1.177 1.00 . A A . 8 ALA C 1 1
7 747 1 1 8 ALA CA C -0.496 6.337 0.659 1.00 . A A . 8 ALA CA 1 1
7 748 1 1 8 ALA CB C -1.386 5.138 0.325 1.00 . A A . 8 ALA CB 1 1
7 749 1 1 8 ALA H H 0.333 5.183 2.231 1.00 . A A . 8 ALA H 1 1
7 750 1 1 8 ALA HA H 0.009 6.657 -0.240 1.00 . A A . 8 ALA HA 1 1
7 751 1 1 8 ALA HB1 H -1.887 5.312 -0.616 1.00 . A A . 8 ALA HB1 1 1
7 752 1 1 8 ALA HB2 H -2.121 5.007 1.105 1.00 . A A . 8 ALA HB2 1 1
7 753 1 1 8 ALA HB3 H -0.777 4.249 0.250 1.00 . A A . 8 ALA HB3 1 1
7 754 1 1 8 ALA N N 0.502 5.955 1.652 1.00 . A A . 8 ALA N 1 1
7 755 1 1 8 ALA O O -2.088 7.266 2.130 1.00 . A A . 8 ALA O 1 1
7 756 1 1 8 ALA OXT O -1.276 8.562 0.614 1.00 . A A . 8 ALA OXT 1 1
8 757 1 1 1 ILE C C 10.234 0.210 2.460 1.00 . A A . 1 ILE C 1 1
8 758 1 1 1 ILE CA C 10.583 -1.220 2.858 1.00 . A A . 1 ILE CA 1 1
8 759 1 1 1 ILE CB C 11.546 -1.823 1.836 1.00 . A A . 1 ILE CB 1 1
8 760 1 1 1 ILE CD1 C 14.023 -2.102 2.028 1.00 . A A . 1 ILE CD1 1 1
8 761 1 1 1 ILE CG1 C 12.888 -1.086 1.904 1.00 . A A . 1 ILE CG1 1 1
8 762 1 1 1 ILE CG2 C 10.956 -1.679 0.431 1.00 . A A . 1 ILE CG2 1 1
8 763 1 1 1 ILE H1 H 9.560 -2.992 3.246 1.00 . A A . 1 ILE H1 1 1
8 764 1 1 1 ILE H2 H 8.926 -2.096 1.950 1.00 . A A . 1 ILE H2 1 1
8 765 1 1 1 ILE H3 H 8.653 -1.592 3.550 1.00 . A A . 1 ILE H3 1 1
8 766 1 1 1 ILE HA H 11.047 -1.219 3.833 1.00 . A A . 1 ILE HA 1 1
8 767 1 1 1 ILE HB H 11.697 -2.870 2.057 1.00 . A A . 1 ILE HB 1 1
8 768 1 1 1 ILE HD11 H 14.079 -2.458 3.046 1.00 . A A . 1 ILE HD11 1 1
8 769 1 1 1 ILE HD12 H 14.958 -1.633 1.759 1.00 . A A . 1 ILE HD12 1 1
8 770 1 1 1 ILE HD13 H 13.836 -2.935 1.365 1.00 . A A . 1 ILE HD13 1 1
8 771 1 1 1 ILE HG12 H 13.023 -0.500 1.006 1.00 . A A . 1 ILE HG12 1 1
8 772 1 1 1 ILE HG13 H 12.897 -0.433 2.765 1.00 . A A . 1 ILE HG13 1 1
8 773 1 1 1 ILE HG21 H 11.446 -0.866 -0.084 1.00 . A A . 1 ILE HG21 1 1
8 774 1 1 1 ILE HG22 H 9.898 -1.474 0.504 1.00 . A A . 1 ILE HG22 1 1
8 775 1 1 1 ILE HG23 H 11.108 -2.596 -0.119 1.00 . A A . 1 ILE HG23 1 1
8 776 1 1 1 ILE N N 9.337 -2.037 2.904 1.00 . A A . 1 ILE N 1 1
8 777 1 1 1 ILE O O 10.959 1.151 2.786 1.00 . A A . 1 ILE O 1 1
8 778 1 1 2 . C C 7.925 2.317 2.409 1.00 . A A . 2 DBU C 1 1
8 779 1 1 2 . CA C 8.724 1.650 1.344 1.00 . A A . 2 DBU CA 1 1
8 780 1 1 2 . CB C 8.985 2.280 0.189 1.00 . A A . 2 DBU CB 1 1
8 781 1 1 2 . CG C 9.799 1.677 -0.958 1.00 . A A . 2 DBU CG 1 1
8 782 1 1 2 . H H 8.528 -0.367 1.482 1.00 . A A . 2 DBU H 1 1
8 783 1 1 2 . HB H 8.596 3.279 0.061 1.00 . A A . 2 DBU HB 1 1
8 784 1 1 2 . HG1 H 10.849 1.878 -0.797 1.00 . A A . 2 DBU HG1 1 1
8 785 1 1 2 . HG2 H 9.487 2.119 -1.892 1.00 . A A . 2 DBU HG2 1 1
8 786 1 1 2 . HG3 H 9.638 0.610 -0.992 1.00 . A A . 2 DBU HG3 1 1
8 787 1 1 2 . N N 9.108 0.377 1.745 1.00 . A A . 2 DBU N 1 1
8 788 1 1 2 . O O 8.451 2.807 3.407 1.00 . A A . 2 DBU O 1 1
8 789 1 1 3 DAL C C 5.685 2.156 4.485 1.00 . A A . 3 DAL C 1 1
8 790 1 1 3 DAL CA C 5.748 2.993 3.212 1.00 . A A . 3 DAL CA 1 1
8 791 1 1 3 DAL CB C 6.289 4.385 3.544 1.00 . A A . 3 DAL CB 1 1
8 792 1 1 3 DAL H H 6.178 1.963 1.416 1.00 . A A . 3 DAL H 1 1
8 793 1 1 3 DAL HA H 4.750 3.094 2.811 1.00 . A A . 3 DAL HA 1 1
8 794 1 1 3 DAL HB1 H 6.671 4.846 2.645 1.00 . A A . 3 DAL HB1 1 1
8 795 1 1 3 DAL HB2 H 7.084 4.298 4.269 1.00 . A A . 3 DAL HB2 1 1
8 796 1 1 3 DAL N N 6.595 2.353 2.212 1.00 . A A . 3 DAL N 1 1
8 797 1 1 3 DAL O O 4.638 1.605 4.826 1.00 . A A . 3 DAL O 1 1
8 798 1 1 4 ILE C C 5.744 1.749 7.367 1.00 . A A . 4 ILE C 1 1
8 799 1 1 4 ILE CA C 6.864 1.306 6.430 1.00 . A A . 4 ILE CA 1 1
8 800 1 1 4 ILE CB C 8.221 1.508 7.108 1.00 . A A . 4 ILE CB 1 1
8 801 1 1 4 ILE CD1 C 10.492 2.074 6.227 1.00 . A A . 4 ILE CD1 1 1
8 802 1 1 4 ILE CG1 C 9.336 1.075 6.152 1.00 . A A . 4 ILE CG1 1 1
8 803 1 1 4 ILE CG2 C 8.290 0.663 8.381 1.00 . A A . 4 ILE CG2 1 1
8 804 1 1 4 ILE H H 7.611 2.536 4.873 1.00 . A A . 4 ILE H 1 1
8 805 1 1 4 ILE HA H 6.738 0.258 6.203 1.00 . A A . 4 ILE HA 1 1
8 806 1 1 4 ILE HB H 8.346 2.551 7.361 1.00 . A A . 4 ILE HB 1 1
8 807 1 1 4 ILE HD11 H 10.138 3.055 5.947 1.00 . A A . 4 ILE HD11 1 1
8 808 1 1 4 ILE HD12 H 11.276 1.768 5.552 1.00 . A A . 4 ILE HD12 1 1
8 809 1 1 4 ILE HD13 H 10.875 2.104 7.236 1.00 . A A . 4 ILE HD13 1 1
8 810 1 1 4 ILE HG12 H 9.688 0.093 6.433 1.00 . A A . 4 ILE HG12 1 1
8 811 1 1 4 ILE HG13 H 8.953 1.044 5.143 1.00 . A A . 4 ILE HG13 1 1
8 812 1 1 4 ILE HG21 H 8.498 -0.365 8.120 1.00 . A A . 4 ILE HG21 1 1
8 813 1 1 4 ILE HG22 H 7.346 0.718 8.902 1.00 . A A . 4 ILE HG22 1 1
8 814 1 1 4 ILE HG23 H 9.077 1.037 9.020 1.00 . A A . 4 ILE HG23 1 1
8 815 1 1 4 ILE N N 6.809 2.071 5.189 1.00 . A A . 4 ILE N 1 1
8 816 1 1 4 ILE O O 5.974 2.484 8.329 1.00 . A A . 4 ILE O 1 1
8 817 1 1 5 DHA C C 2.337 2.224 7.007 1.00 . A A . 5 DHA C 1 1
8 818 1 1 5 DHA CA C 3.425 1.667 7.860 1.00 . A A . 5 DHA CA 1 1
8 819 1 1 5 DHA CB C 3.279 1.570 9.188 1.00 . A A . 5 DHA CB 1 1
8 820 1 1 5 DHA H H 4.325 0.727 6.301 1.00 . A A . 5 DHA H 1 1
8 821 1 1 5 DHA HB1 H 4.076 1.164 9.792 1.00 . A A . 5 DHA HB1 1 1
8 822 1 1 5 DHA HB2 H 2.364 1.898 9.659 1.00 . A A . 5 DHA HB2 1 1
8 823 1 1 5 DHA N N 4.510 1.304 7.071 1.00 . A A . 5 DHA N 1 1
8 824 1 1 5 DHA O O 1.340 1.567 6.708 1.00 . A A . 5 DHA O 1 1
8 825 1 1 6 LEU C C 2.086 5.267 4.946 1.00 . A A . 6 LEU C 1 1
8 826 1 1 6 LEU CA C 1.501 4.090 5.721 1.00 . A A . 6 LEU CA 1 1
8 827 1 1 6 LEU CB C 0.315 4.567 6.564 1.00 . A A . 6 LEU CB 1 1
8 828 1 1 6 LEU CD1 C -2.164 4.439 6.854 1.00 . A A . 6 LEU CD1 1 1
8 829 1 1 6 LEU CD2 C -1.183 4.701 4.571 1.00 . A A . 6 LEU CD2 1 1
8 830 1 1 6 LEU CG C -0.991 4.062 5.948 1.00 . A A . 6 LEU CG 1 1
8 831 1 1 6 LEU H H 3.315 4.004 6.804 1.00 . A A . 6 LEU H 1 1
8 832 1 1 6 LEU HA H 1.154 3.350 5.016 1.00 . A A . 6 LEU HA 1 1
8 833 1 1 6 LEU HB2 H 0.412 4.184 7.570 1.00 . A A . 6 LEU HB2 1 1
8 834 1 1 6 LEU HB3 H 0.305 5.646 6.591 1.00 . A A . 6 LEU HB3 1 1
8 835 1 1 6 LEU HD11 H -3.075 4.015 6.459 1.00 . A A . 6 LEU HD11 1 1
8 836 1 1 6 LEU HD12 H -2.257 5.514 6.894 1.00 . A A . 6 LEU HD12 1 1
8 837 1 1 6 LEU HD13 H -1.989 4.056 7.849 1.00 . A A . 6 LEU HD13 1 1
8 838 1 1 6 LEU HD21 H -0.228 4.778 4.073 1.00 . A A . 6 LEU HD21 1 1
8 839 1 1 6 LEU HD22 H -1.610 5.685 4.687 1.00 . A A . 6 LEU HD22 1 1
8 840 1 1 6 LEU HD23 H -1.848 4.088 3.980 1.00 . A A . 6 LEU HD23 1 1
8 841 1 1 6 LEU HG H -0.948 2.987 5.846 1.00 . A A . 6 LEU HG 1 1
8 842 1 1 6 LEU N N 2.518 3.484 6.572 1.00 . A A . 6 LEU N 1 1
8 843 1 1 6 LEU O O 2.411 6.304 5.525 1.00 . A A . 6 LEU O 1 1
8 844 1 1 7 CYS C C 2.123 6.093 1.399 1.00 . A A . 7 CYS C 1 1
8 845 1 1 7 CYS CA C 2.762 6.146 2.783 1.00 . A A . 7 CYS CA 1 1
8 846 1 1 7 CYS CB C 4.279 5.980 2.654 1.00 . A A . 7 CYS CB 1 1
8 847 1 1 7 CYS H H 1.939 4.247 3.232 1.00 . A A . 7 CYS H 1 1
8 848 1 1 7 CYS HA H 2.553 7.106 3.230 1.00 . A A . 7 CYS HA 1 1
8 849 1 1 7 CYS HB2 H 4.498 5.257 1.881 1.00 . A A . 7 CYS HB2 1 1
8 850 1 1 7 CYS HB3 H 4.723 6.930 2.396 1.00 . A A . 7 CYS HB3 1 1
8 851 1 1 7 CYS N N 2.216 5.095 3.635 1.00 . A A . 7 CYS N 1 1
8 852 1 1 7 CYS O O 1.876 7.126 0.777 1.00 . A A . 7 CYS O 1 1
8 853 1 1 7 CYS SG S 4.958 5.404 4.229 1.00 . A A . 7 CYS SG 1 1
8 854 1 1 8 ALA C C -0.198 5.208 -0.376 1.00 . A A . 8 ALA C 1 1
8 855 1 1 8 ALA CA C 1.241 4.704 -0.389 1.00 . A A . 8 ALA CA 1 1
8 856 1 1 8 ALA CB C 1.262 3.226 -0.784 1.00 . A A . 8 ALA CB 1 1
8 857 1 1 8 ALA H H 2.072 4.091 1.463 1.00 . A A . 8 ALA H 1 1
8 858 1 1 8 ALA HA H 1.804 5.267 -1.118 1.00 . A A . 8 ALA HA 1 1
8 859 1 1 8 ALA HB1 H 0.854 3.113 -1.778 1.00 . A A . 8 ALA HB1 1 1
8 860 1 1 8 ALA HB2 H 0.667 2.657 -0.084 1.00 . A A . 8 ALA HB2 1 1
8 861 1 1 8 ALA HB3 H 2.279 2.862 -0.769 1.00 . A A . 8 ALA HB3 1 1
8 862 1 1 8 ALA N N 1.855 4.880 0.922 1.00 . A A . 8 ALA N 1 1
8 863 1 1 8 ALA O O -1.043 4.543 -0.953 1.00 . A A . 8 ALA O 1 1
8 864 1 1 8 ALA OXT O -0.435 6.251 0.212 1.00 . A A . 8 ALA OXT 1 1
9 865 1 1 1 ILE C C 10.297 3.710 5.087 1.00 . A A . 1 ILE C 1 1
9 866 1 1 1 ILE CA C 11.383 2.981 5.870 1.00 . A A . 1 ILE CA 1 1
9 867 1 1 1 ILE CB C 12.642 3.847 5.942 1.00 . A A . 1 ILE CB 1 1
9 868 1 1 1 ILE CD1 C 13.285 4.773 8.175 1.00 . A A . 1 ILE CD1 1 1
9 869 1 1 1 ILE CG1 C 12.418 4.992 6.934 1.00 . A A . 1 ILE CG1 1 1
9 870 1 1 1 ILE CG2 C 12.944 4.424 4.557 1.00 . A A . 1 ILE CG2 1 1
9 871 1 1 1 ILE H1 H 10.849 1.314 4.743 1.00 . A A . 1 ILE H1 1 1
9 872 1 1 1 ILE H2 H 12.066 1.014 5.889 1.00 . A A . 1 ILE H2 1 1
9 873 1 1 1 ILE H3 H 12.429 1.860 4.461 1.00 . A A . 1 ILE H3 1 1
9 874 1 1 1 ILE HA H 11.029 2.778 6.871 1.00 . A A . 1 ILE HA 1 1
9 875 1 1 1 ILE HB H 13.476 3.242 6.269 1.00 . A A . 1 ILE HB 1 1
9 876 1 1 1 ILE HD11 H 14.294 5.102 7.972 1.00 . A A . 1 ILE HD11 1 1
9 877 1 1 1 ILE HD12 H 13.293 3.722 8.427 1.00 . A A . 1 ILE HD12 1 1
9 878 1 1 1 ILE HD13 H 12.881 5.338 9.002 1.00 . A A . 1 ILE HD13 1 1
9 879 1 1 1 ILE HG12 H 12.686 5.930 6.468 1.00 . A A . 1 ILE HG12 1 1
9 880 1 1 1 ILE HG13 H 11.379 5.019 7.225 1.00 . A A . 1 ILE HG13 1 1
9 881 1 1 1 ILE HG21 H 13.974 4.747 4.518 1.00 . A A . 1 ILE HG21 1 1
9 882 1 1 1 ILE HG22 H 12.296 5.267 4.370 1.00 . A A . 1 ILE HG22 1 1
9 883 1 1 1 ILE HG23 H 12.776 3.666 3.807 1.00 . A A . 1 ILE HG23 1 1
9 884 1 1 1 ILE N N 11.706 1.695 5.190 1.00 . A A . 1 ILE N 1 1
9 885 1 1 1 ILE O O 10.129 3.492 3.887 1.00 . A A . 1 ILE O 1 1
9 886 1 1 2 . C C 7.345 4.428 4.917 1.00 . A A . 2 DBU C 1 1
9 887 1 1 2 . CA C 8.537 5.295 5.131 1.00 . A A . 2 DBU CA 1 1
9 888 1 1 2 . CB C 8.537 6.570 4.721 1.00 . A A . 2 DBU CB 1 1
9 889 1 1 2 . CG C 9.712 7.533 4.898 1.00 . A A . 2 DBU CG 1 1
9 890 1 1 2 . H H 9.675 4.769 6.729 1.00 . A A . 2 DBU H 1 1
9 891 1 1 2 . HB H 7.648 6.944 4.234 1.00 . A A . 2 DBU HB 1 1
9 892 1 1 2 . HG1 H 9.988 7.578 5.942 1.00 . A A . 2 DBU HG1 1 1
9 893 1 1 2 . HG2 H 9.426 8.518 4.558 1.00 . A A . 2 DBU HG2 1 1
9 894 1 1 2 . HG3 H 10.554 7.183 4.319 1.00 . A A . 2 DBU HG3 1 1
9 895 1 1 2 . N N 9.547 4.590 5.774 1.00 . A A . 2 DBU N 1 1
9 896 1 1 2 . O O 6.529 4.209 5.811 1.00 . A A . 2 DBU O 1 1
9 897 1 1 3 DAL C C 5.956 1.940 4.457 1.00 . A A . 3 DAL C 1 1
9 898 1 1 3 DAL CA C 6.072 3.039 3.405 1.00 . A A . 3 DAL CA 1 1
9 899 1 1 3 DAL CB C 4.786 3.869 3.383 1.00 . A A . 3 DAL CB 1 1
9 900 1 1 3 DAL H H 7.866 4.073 2.974 1.00 . A A . 3 DAL H 1 1
9 901 1 1 3 DAL HA H 6.207 2.582 2.436 1.00 . A A . 3 DAL HA 1 1
9 902 1 1 3 DAL HB1 H 4.594 4.256 4.372 1.00 . A A . 3 DAL HB1 1 1
9 903 1 1 3 DAL HB2 H 3.961 3.246 3.072 1.00 . A A . 3 DAL HB2 1 1
9 904 1 1 3 DAL N N 7.215 3.899 3.687 1.00 . A A . 3 DAL N 1 1
9 905 1 1 3 DAL O O 5.007 1.156 4.449 1.00 . A A . 3 DAL O 1 1
9 906 1 1 4 ILE C C 5.535 0.781 7.046 1.00 . A A . 4 ILE C 1 1
9 907 1 1 4 ILE CA C 6.924 0.886 6.419 1.00 . A A . 4 ILE CA 1 1
9 908 1 1 4 ILE CB C 7.975 1.246 7.485 1.00 . A A . 4 ILE CB 1 1
9 909 1 1 4 ILE CD1 C 8.110 -1.170 8.113 1.00 . A A . 4 ILE CD1 1 1
9 910 1 1 4 ILE CG1 C 8.918 0.058 7.691 1.00 . A A . 4 ILE CG1 1 1
9 911 1 1 4 ILE CG2 C 7.297 1.589 8.816 1.00 . A A . 4 ILE CG2 1 1
9 912 1 1 4 ILE H H 7.658 2.543 5.322 1.00 . A A . 4 ILE H 1 1
9 913 1 1 4 ILE HA H 7.181 -0.070 5.987 1.00 . A A . 4 ILE HA 1 1
9 914 1 1 4 ILE HB H 8.545 2.100 7.147 1.00 . A A . 4 ILE HB 1 1
9 915 1 1 4 ILE HD11 H 7.860 -1.754 7.240 1.00 . A A . 4 ILE HD11 1 1
9 916 1 1 4 ILE HD12 H 7.204 -0.852 8.606 1.00 . A A . 4 ILE HD12 1 1
9 917 1 1 4 ILE HD13 H 8.697 -1.771 8.792 1.00 . A A . 4 ILE HD13 1 1
9 918 1 1 4 ILE HG12 H 9.439 -0.151 6.768 1.00 . A A . 4 ILE HG12 1 1
9 919 1 1 4 ILE HG13 H 9.636 0.297 8.463 1.00 . A A . 4 ILE HG13 1 1
9 920 1 1 4 ILE HG21 H 6.597 2.397 8.667 1.00 . A A . 4 ILE HG21 1 1
9 921 1 1 4 ILE HG22 H 8.046 1.888 9.535 1.00 . A A . 4 ILE HG22 1 1
9 922 1 1 4 ILE HG23 H 6.772 0.721 9.187 1.00 . A A . 4 ILE HG23 1 1
9 923 1 1 4 ILE N N 6.927 1.892 5.364 1.00 . A A . 4 ILE N 1 1
9 924 1 1 4 ILE O O 5.097 -0.302 7.433 1.00 . A A . 4 ILE O 1 1
9 925 1 1 5 DHA C C 2.549 2.366 6.706 1.00 . A A . 5 DHA C 1 1
9 926 1 1 5 DHA CA C 3.561 1.915 7.700 1.00 . A A . 5 DHA CA 1 1
9 927 1 1 5 DHA CB C 3.192 1.566 8.941 1.00 . A A . 5 DHA CB 1 1
9 928 1 1 5 DHA H H 5.178 2.789 6.836 1.00 . A A . 5 DHA H 1 1
9 929 1 1 5 DHA HB1 H 3.933 1.240 9.656 1.00 . A A . 5 DHA HB1 1 1
9 930 1 1 5 DHA HB2 H 2.152 1.611 9.230 1.00 . A A . 5 DHA HB2 1 1
9 931 1 1 5 DHA N N 4.834 1.925 7.144 1.00 . A A . 5 DHA N 1 1
9 932 1 1 5 DHA O O 2.003 1.583 5.930 1.00 . A A . 5 DHA O 1 1
9 933 1 1 6 LEU C C 1.883 5.331 4.933 1.00 . A A . 6 LEU C 1 1
9 934 1 1 6 LEU CA C 1.288 4.194 5.757 1.00 . A A . 6 LEU CA 1 1
9 935 1 1 6 LEU CB C 0.053 4.698 6.505 1.00 . A A . 6 LEU CB 1 1
9 936 1 1 6 LEU CD1 C -0.601 6.104 8.463 1.00 . A A . 6 LEU CD1 1 1
9 937 1 1 6 LEU CD2 C 0.558 3.921 8.824 1.00 . A A . 6 LEU CD2 1 1
9 938 1 1 6 LEU CG C 0.455 5.145 7.911 1.00 . A A . 6 LEU CG 1 1
9 939 1 1 6 LEU H H 2.706 4.306 7.323 1.00 . A A . 6 LEU H 1 1
9 940 1 1 6 LEU HA H 0.993 3.397 5.092 1.00 . A A . 6 LEU HA 1 1
9 941 1 1 6 LEU HB2 H -0.377 5.532 5.970 1.00 . A A . 6 LEU HB2 1 1
9 942 1 1 6 LEU HB3 H -0.674 3.903 6.576 1.00 . A A . 6 LEU HB3 1 1
9 943 1 1 6 LEU HD11 H -0.654 6.003 9.538 1.00 . A A . 6 LEU HD11 1 1
9 944 1 1 6 LEU HD12 H -1.563 5.870 8.032 1.00 . A A . 6 LEU HD12 1 1
9 945 1 1 6 LEU HD13 H -0.332 7.119 8.211 1.00 . A A . 6 LEU HD13 1 1
9 946 1 1 6 LEU HD21 H -0.259 3.928 9.531 1.00 . A A . 6 LEU HD21 1 1
9 947 1 1 6 LEU HD22 H 1.496 3.949 9.359 1.00 . A A . 6 LEU HD22 1 1
9 948 1 1 6 LEU HD23 H 0.510 3.022 8.228 1.00 . A A . 6 LEU HD23 1 1
9 949 1 1 6 LEU HG H 1.410 5.647 7.870 1.00 . A A . 6 LEU HG 1 1
9 950 1 1 6 LEU N N 2.270 3.682 6.705 1.00 . A A . 6 LEU N 1 1
9 951 1 1 6 LEU O O 2.306 6.351 5.477 1.00 . A A . 6 LEU O 1 1
9 952 1 1 7 CYS C C 2.349 5.718 1.269 1.00 . A A . 7 CYS C 1 1
9 953 1 1 7 CYS CA C 2.454 6.167 2.724 1.00 . A A . 7 CYS CA 1 1
9 954 1 1 7 CYS CB C 3.919 6.440 3.071 1.00 . A A . 7 CYS CB 1 1
9 955 1 1 7 CYS H H 1.557 4.316 3.238 1.00 . A A . 7 CYS H 1 1
9 956 1 1 7 CYS HA H 1.891 7.079 2.850 1.00 . A A . 7 CYS HA 1 1
9 957 1 1 7 CYS HB2 H 4.181 7.439 2.756 1.00 . A A . 7 CYS HB2 1 1
9 958 1 1 7 CYS HB3 H 4.060 6.352 4.138 1.00 . A A . 7 CYS HB3 1 1
9 959 1 1 7 CYS N N 1.911 5.149 3.616 1.00 . A A . 7 CYS N 1 1
9 960 1 1 7 CYS O O 2.674 6.473 0.353 1.00 . A A . 7 CYS O 1 1
9 961 1 1 7 CYS SG S 4.978 5.243 2.219 1.00 . A A . 7 CYS SG 1 1
9 962 1 1 8 ALA C C 0.283 3.928 -0.699 1.00 . A A . 8 ALA C 1 1
9 963 1 1 8 ALA CA C 1.751 3.951 -0.284 1.00 . A A . 8 ALA CA 1 1
9 964 1 1 8 ALA CB C 2.322 2.534 -0.345 1.00 . A A . 8 ALA CB 1 1
9 965 1 1 8 ALA H H 1.649 3.930 1.834 1.00 . A A . 8 ALA H 1 1
9 966 1 1 8 ALA HA H 2.300 4.578 -0.970 1.00 . A A . 8 ALA HA 1 1
9 967 1 1 8 ALA HB1 H 1.912 2.017 -1.201 1.00 . A A . 8 ALA HB1 1 1
9 968 1 1 8 ALA HB2 H 2.061 2.000 0.556 1.00 . A A . 8 ALA HB2 1 1
9 969 1 1 8 ALA HB3 H 3.397 2.582 -0.437 1.00 . A A . 8 ALA HB3 1 1
9 970 1 1 8 ALA N N 1.894 4.487 1.065 1.00 . A A . 8 ALA N 1 1
9 971 1 1 8 ALA O O -0.388 4.926 -0.488 1.00 . A A . 8 ALA O 1 1
9 972 1 1 8 ALA OXT O -0.148 2.915 -1.223 1.00 . A A . 8 ALA OXT 1 1
10 973 1 1 1 ILE C C 11.215 3.004 5.243 1.00 . A A . 1 ILE C 1 1
10 974 1 1 1 ILE CA C 12.027 1.714 5.225 1.00 . A A . 1 ILE CA 1 1
10 975 1 1 1 ILE CB C 13.453 1.999 4.748 1.00 . A A . 1 ILE CB 1 1
10 976 1 1 1 ILE CD1 C 15.367 1.109 3.406 1.00 . A A . 1 ILE CD1 1 1
10 977 1 1 1 ILE CG1 C 13.907 0.882 3.806 1.00 . A A . 1 ILE CG1 1 1
10 978 1 1 1 ILE CG2 C 14.392 2.062 5.954 1.00 . A A . 1 ILE CG2 1 1
10 979 1 1 1 ILE H1 H 11.863 -0.181 4.376 1.00 . A A . 1 ILE H1 1 1
10 980 1 1 1 ILE H2 H 11.453 1.088 3.323 1.00 . A A . 1 ILE H2 1 1
10 981 1 1 1 ILE H3 H 10.381 0.625 4.558 1.00 . A A . 1 ILE H3 1 1
10 982 1 1 1 ILE HA H 12.059 1.297 6.221 1.00 . A A . 1 ILE HA 1 1
10 983 1 1 1 ILE HB H 13.475 2.945 4.226 1.00 . A A . 1 ILE HB 1 1
10 984 1 1 1 ILE HD11 H 15.429 1.244 2.336 1.00 . A A . 1 ILE HD11 1 1
10 985 1 1 1 ILE HD12 H 15.958 0.254 3.696 1.00 . A A . 1 ILE HD12 1 1
10 986 1 1 1 ILE HD13 H 15.745 1.993 3.901 1.00 . A A . 1 ILE HD13 1 1
10 987 1 1 1 ILE HG12 H 13.815 -0.070 4.308 1.00 . A A . 1 ILE HG12 1 1
10 988 1 1 1 ILE HG13 H 13.290 0.884 2.921 1.00 . A A . 1 ILE HG13 1 1
10 989 1 1 1 ILE HG21 H 14.549 1.066 6.340 1.00 . A A . 1 ILE HG21 1 1
10 990 1 1 1 ILE HG22 H 13.952 2.681 6.721 1.00 . A A . 1 ILE HG22 1 1
10 991 1 1 1 ILE HG23 H 15.339 2.483 5.650 1.00 . A A . 1 ILE HG23 1 1
10 992 1 1 1 ILE N N 11.383 0.738 4.301 1.00 . A A . 1 ILE N 1 1
10 993 1 1 1 ILE O O 11.544 3.967 4.551 1.00 . A A . 1 ILE O 1 1
10 994 1 1 2 . C C 7.986 3.894 5.572 1.00 . A A . 2 DBU C 1 1
10 995 1 1 2 . CA C 9.345 4.165 6.117 1.00 . A A . 2 DBU CA 1 1
10 996 1 1 2 . CB C 9.663 5.377 6.591 1.00 . A A . 2 DBU CB 1 1
10 997 1 1 2 . CG C 11.031 5.748 7.168 1.00 . A A . 2 DBU CG 1 1
10 998 1 1 2 . H H 9.870 2.262 6.601 1.00 . A A . 2 DBU H 1 1
10 999 1 1 2 . HB H 8.904 6.145 6.560 1.00 . A A . 2 DBU HB 1 1
10 1000 1 1 2 . HG1 H 11.676 4.881 7.149 1.00 . A A . 2 DBU HG1 1 1
10 1001 1 1 2 . HG2 H 10.911 6.084 8.188 1.00 . A A . 2 DBU HG2 1 1
10 1002 1 1 2 . HG3 H 11.470 6.537 6.578 1.00 . A A . 2 DBU HG3 1 1
10 1003 1 1 2 . N N 10.137 3.026 6.047 1.00 . A A . 2 DBU N 1 1
10 1004 1 1 2 . O O 7.003 3.770 6.302 1.00 . A A . 2 DBU O 1 1
10 1005 1 1 3 DAL C C 5.900 2.379 4.360 1.00 . A A . 3 DAL C 1 1
10 1006 1 1 3 DAL CA C 6.599 3.521 3.631 1.00 . A A . 3 DAL CA 1 1
10 1007 1 1 3 DAL CB C 5.727 4.776 3.685 1.00 . A A . 3 DAL CB 1 1
10 1008 1 1 3 DAL H H 8.680 3.885 3.653 1.00 . A A . 3 DAL H 1 1
10 1009 1 1 3 DAL HA H 6.743 3.240 2.598 1.00 . A A . 3 DAL HA 1 1
10 1010 1 1 3 DAL HB1 H 6.357 5.648 3.777 1.00 . A A . 3 DAL HB1 1 1
10 1011 1 1 3 DAL HB2 H 5.064 4.719 4.535 1.00 . A A . 3 DAL HB2 1 1
10 1012 1 1 3 DAL N N 7.898 3.789 4.234 1.00 . A A . 3 DAL N 1 1
10 1013 1 1 3 DAL O O 4.693 2.183 4.215 1.00 . A A . 3 DAL O 1 1
10 1014 1 1 4 ILE C C 4.831 0.923 6.609 1.00 . A A . 4 ILE C 1 1
10 1015 1 1 4 ILE CA C 6.112 0.508 5.892 1.00 . A A . 4 ILE CA 1 1
10 1016 1 1 4 ILE CB C 7.133 0.006 6.914 1.00 . A A . 4 ILE CB 1 1
10 1017 1 1 4 ILE CD1 C 8.187 -1.386 5.124 1.00 . A A . 4 ILE CD1 1 1
10 1018 1 1 4 ILE CG1 C 8.446 -0.328 6.198 1.00 . A A . 4 ILE CG1 1 1
10 1019 1 1 4 ILE CG2 C 6.595 -1.248 7.604 1.00 . A A . 4 ILE CG2 1 1
10 1020 1 1 4 ILE H H 7.623 1.833 5.220 1.00 . A A . 4 ILE H 1 1
10 1021 1 1 4 ILE HA H 5.884 -0.294 5.206 1.00 . A A . 4 ILE HA 1 1
10 1022 1 1 4 ILE HB H 7.310 0.776 7.653 1.00 . A A . 4 ILE HB 1 1
10 1023 1 1 4 ILE HD11 H 9.119 -1.866 4.861 1.00 . A A . 4 ILE HD11 1 1
10 1024 1 1 4 ILE HD12 H 7.765 -0.915 4.248 1.00 . A A . 4 ILE HD12 1 1
10 1025 1 1 4 ILE HD13 H 7.496 -2.124 5.503 1.00 . A A . 4 ILE HD13 1 1
10 1026 1 1 4 ILE HG12 H 8.841 0.566 5.737 1.00 . A A . 4 ILE HG12 1 1
10 1027 1 1 4 ILE HG13 H 9.159 -0.710 6.913 1.00 . A A . 4 ILE HG13 1 1
10 1028 1 1 4 ILE HG21 H 5.719 -1.599 7.080 1.00 . A A . 4 ILE HG21 1 1
10 1029 1 1 4 ILE HG22 H 6.335 -1.014 8.626 1.00 . A A . 4 ILE HG22 1 1
10 1030 1 1 4 ILE HG23 H 7.353 -2.018 7.594 1.00 . A A . 4 ILE HG23 1 1
10 1031 1 1 4 ILE N N 6.666 1.629 5.144 1.00 . A A . 4 ILE N 1 1
10 1032 1 1 4 ILE O O 3.760 0.371 6.360 1.00 . A A . 4 ILE O 1 1
10 1033 1 1 5 DHA C C 2.658 2.492 7.285 1.00 . A A . 5 DHA C 1 1
10 1034 1 1 5 DHA CA C 3.818 2.347 8.207 1.00 . A A . 5 DHA CA 1 1
10 1035 1 1 5 DHA CB C 3.692 2.623 9.512 1.00 . A A . 5 DHA CB 1 1
10 1036 1 1 5 DHA H H 5.790 2.358 7.718 1.00 . A A . 5 DHA H 1 1
10 1037 1 1 5 DHA HB1 H 4.539 2.516 10.174 1.00 . A A . 5 DHA HB1 1 1
10 1038 1 1 5 DHA HB2 H 2.744 2.956 9.907 1.00 . A A . 5 DHA HB2 1 1
10 1039 1 1 5 DHA N N 4.941 1.912 7.514 1.00 . A A . 5 DHA N 1 1
10 1040 1 1 5 DHA O O 1.806 1.612 7.163 1.00 . A A . 5 DHA O 1 1
10 1041 1 1 6 LEU C C 1.747 5.089 4.808 1.00 . A A . 6 LEU C 1 1
10 1042 1 1 6 LEU CA C 1.491 3.855 5.667 1.00 . A A . 6 LEU CA 1 1
10 1043 1 1 6 LEU CB C 0.185 4.025 6.450 1.00 . A A . 6 LEU CB 1 1
10 1044 1 1 6 LEU CD1 C -0.960 5.758 5.029 1.00 . A A . 6 LEU CD1 1 1
10 1045 1 1 6 LEU CD2 C -0.877 3.379 4.270 1.00 . A A . 6 LEU CD2 1 1
10 1046 1 1 6 LEU CG C -0.984 4.297 5.490 1.00 . A A . 6 LEU CG 1 1
10 1047 1 1 6 LEU H H 3.277 4.343 6.687 1.00 . A A . 6 LEU H 1 1
10 1048 1 1 6 LEU HA H 1.407 2.992 5.025 1.00 . A A . 6 LEU HA 1 1
10 1049 1 1 6 LEU HB2 H -0.015 3.122 7.008 1.00 . A A . 6 LEU HB2 1 1
10 1050 1 1 6 LEU HB3 H 0.285 4.852 7.137 1.00 . A A . 6 LEU HB3 1 1
10 1051 1 1 6 LEU HD11 H -0.457 5.826 4.076 1.00 . A A . 6 LEU HD11 1 1
10 1052 1 1 6 LEU HD12 H -0.439 6.361 5.756 1.00 . A A . 6 LEU HD12 1 1
10 1053 1 1 6 LEU HD13 H -1.973 6.117 4.925 1.00 . A A . 6 LEU HD13 1 1
10 1054 1 1 6 LEU HD21 H -1.816 3.380 3.736 1.00 . A A . 6 LEU HD21 1 1
10 1055 1 1 6 LEU HD22 H -0.648 2.374 4.593 1.00 . A A . 6 LEU HD22 1 1
10 1056 1 1 6 LEU HD23 H -0.093 3.735 3.617 1.00 . A A . 6 LEU HD23 1 1
10 1057 1 1 6 LEU HG H -1.915 4.102 6.003 1.00 . A A . 6 LEU HG 1 1
10 1058 1 1 6 LEU N N 2.599 3.643 6.591 1.00 . A A . 6 LEU N 1 1
10 1059 1 1 6 LEU O O 1.706 6.217 5.297 1.00 . A A . 6 LEU O 1 1
10 1060 1 1 7 CYS C C 1.879 5.592 1.185 1.00 . A A . 7 CYS C 1 1
10 1061 1 1 7 CYS CA C 2.278 5.971 2.608 1.00 . A A . 7 CYS CA 1 1
10 1062 1 1 7 CYS CB C 3.763 6.336 2.643 1.00 . A A . 7 CYS CB 1 1
10 1063 1 1 7 CYS H H 2.038 3.947 3.190 1.00 . A A . 7 CYS H 1 1
10 1064 1 1 7 CYS HA H 1.700 6.829 2.918 1.00 . A A . 7 CYS HA 1 1
10 1065 1 1 7 CYS HB2 H 3.950 7.147 1.953 1.00 . A A . 7 CYS HB2 1 1
10 1066 1 1 7 CYS HB3 H 4.035 6.645 3.642 1.00 . A A . 7 CYS HB3 1 1
10 1067 1 1 7 CYS N N 2.015 4.868 3.525 1.00 . A A . 7 CYS N 1 1
10 1068 1 1 7 CYS O O 1.221 6.363 0.489 1.00 . A A . 7 CYS O 1 1
10 1069 1 1 7 CYS SG S 4.750 4.897 2.165 1.00 . A A . 7 CYS SG 1 1
10 1070 1 1 8 ALA C C 1.359 2.530 -0.529 1.00 . A A . 8 ALA C 1 1
10 1071 1 1 8 ALA CA C 1.965 3.928 -0.581 1.00 . A A . 8 ALA CA 1 1
10 1072 1 1 8 ALA CB C 3.229 3.906 -1.442 1.00 . A A . 8 ALA CB 1 1
10 1073 1 1 8 ALA H H 2.808 3.827 1.360 1.00 . A A . 8 ALA H 1 1
10 1074 1 1 8 ALA HA H 1.251 4.603 -1.029 1.00 . A A . 8 ALA HA 1 1
10 1075 1 1 8 ALA HB1 H 3.393 4.886 -1.867 1.00 . A A . 8 ALA HB1 1 1
10 1076 1 1 8 ALA HB2 H 3.112 3.184 -2.237 1.00 . A A . 8 ALA HB2 1 1
10 1077 1 1 8 ALA HB3 H 4.077 3.633 -0.830 1.00 . A A . 8 ALA HB3 1 1
10 1078 1 1 8 ALA N N 2.285 4.399 0.761 1.00 . A A . 8 ALA N 1 1
10 1079 1 1 8 ALA O O 1.034 2.006 -1.582 1.00 . A A . 8 ALA O 1 1
10 1080 1 1 8 ALA OXT O 1.228 2.003 0.564 1.00 . A A . 8 ALA OXT 1 1
11 1081 1 1 1 ILE C C 10.597 4.730 6.488 1.00 . A A . 1 ILE C 1 1
11 1082 1 1 1 ILE CA C 11.598 3.779 7.137 1.00 . A A . 1 ILE CA 1 1
11 1083 1 1 1 ILE CB C 12.980 4.435 7.196 1.00 . A A . 1 ILE CB 1 1
11 1084 1 1 1 ILE CD1 C 14.828 5.299 5.753 1.00 . A A . 1 ILE CD1 1 1
11 1085 1 1 1 ILE CG1 C 13.666 4.307 5.834 1.00 . A A . 1 ILE CG1 1 1
11 1086 1 1 1 ILE CG2 C 13.832 3.741 8.260 1.00 . A A . 1 ILE CG2 1 1
11 1087 1 1 1 ILE H1 H 10.721 2.208 6.089 1.00 . A A . 1 ILE H1 1 1
11 1088 1 1 1 ILE H2 H 12.157 1.787 6.895 1.00 . A A . 1 ILE H2 1 1
11 1089 1 1 1 ILE H3 H 12.217 2.703 5.464 1.00 . A A . 1 ILE H3 1 1
11 1090 1 1 1 ILE HA H 11.269 3.543 8.139 1.00 . A A . 1 ILE HA 1 1
11 1091 1 1 1 ILE HB H 12.870 5.480 7.449 1.00 . A A . 1 ILE HB 1 1
11 1092 1 1 1 ILE HD11 H 15.692 4.884 6.254 1.00 . A A . 1 ILE HD11 1 1
11 1093 1 1 1 ILE HD12 H 14.545 6.224 6.232 1.00 . A A . 1 ILE HD12 1 1
11 1094 1 1 1 ILE HD13 H 15.068 5.488 4.718 1.00 . A A . 1 ILE HD13 1 1
11 1095 1 1 1 ILE HG12 H 14.042 3.300 5.715 1.00 . A A . 1 ILE HG12 1 1
11 1096 1 1 1 ILE HG13 H 12.956 4.522 5.051 1.00 . A A . 1 ILE HG13 1 1
11 1097 1 1 1 ILE HG21 H 13.570 2.695 8.306 1.00 . A A . 1 ILE HG21 1 1
11 1098 1 1 1 ILE HG22 H 13.652 4.200 9.221 1.00 . A A . 1 ILE HG22 1 1
11 1099 1 1 1 ILE HG23 H 14.876 3.840 8.004 1.00 . A A . 1 ILE HG23 1 1
11 1100 1 1 1 ILE N N 11.679 2.524 6.335 1.00 . A A . 1 ILE N 1 1
11 1101 1 1 1 ILE O O 10.443 5.872 6.919 1.00 . A A . 1 ILE O 1 1
11 1102 1 1 2 . C C 7.621 4.451 4.830 1.00 . A A . 2 DBU C 1 1
11 1103 1 1 2 . CA C 8.979 5.064 4.790 1.00 . A A . 2 DBU CA 1 1
11 1104 1 1 2 . CB C 9.178 6.245 4.187 1.00 . A A . 2 DBU CB 1 1
11 1105 1 1 2 . CG C 10.534 6.948 4.098 1.00 . A A . 2 DBU CG 1 1
11 1106 1 1 2 . H H 10.025 3.346 5.085 1.00 . A A . 2 DBU H 1 1
11 1107 1 1 2 . HB H 8.327 6.732 3.737 1.00 . A A . 2 DBU HB 1 1
11 1108 1 1 2 . HG1 H 10.391 7.965 3.763 1.00 . A A . 2 DBU HG1 1 1
11 1109 1 1 2 . HG2 H 11.166 6.424 3.397 1.00 . A A . 2 DBU HG2 1 1
11 1110 1 1 2 . HG3 H 11.003 6.952 5.071 1.00 . A A . 2 DBU HG3 1 1
11 1111 1 1 2 . N N 9.907 4.253 5.435 1.00 . A A . 2 DBU N 1 1
11 1112 1 1 2 . O O 6.926 4.470 5.844 1.00 . A A . 2 DBU O 1 1
11 1113 1 1 3 DAL C C 5.804 2.067 4.589 1.00 . A A . 3 DAL C 1 1
11 1114 1 1 3 DAL CA C 5.877 3.260 3.643 1.00 . A A . 3 DAL CA 1 1
11 1115 1 1 3 DAL CB C 4.805 4.277 4.037 1.00 . A A . 3 DAL CB 1 1
11 1116 1 1 3 DAL H H 7.754 3.867 2.878 1.00 . A A . 3 DAL H 1 1
11 1117 1 1 3 DAL HA H 5.682 2.922 2.637 1.00 . A A . 3 DAL HA 1 1
11 1118 1 1 3 DAL HB1 H 4.846 4.450 5.102 1.00 . A A . 3 DAL HB1 1 1
11 1119 1 1 3 DAL HB2 H 3.831 3.892 3.772 1.00 . A A . 3 DAL HB2 1 1
11 1120 1 1 3 DAL N N 7.200 3.879 3.686 1.00 . A A . 3 DAL N 1 1
11 1121 1 1 3 DAL O O 4.809 1.343 4.608 1.00 . A A . 3 DAL O 1 1
11 1122 1 1 4 ILE C C 5.551 0.706 7.083 1.00 . A A . 4 ILE C 1 1
11 1123 1 1 4 ILE CA C 6.875 0.761 6.321 1.00 . A A . 4 ILE CA 1 1
11 1124 1 1 4 ILE CB C 8.056 0.928 7.293 1.00 . A A . 4 ILE CB 1 1
11 1125 1 1 4 ILE CD1 C 8.102 -1.499 7.904 1.00 . A A . 4 ILE CD1 1 1
11 1126 1 1 4 ILE CG1 C 8.903 -0.350 7.288 1.00 . A A . 4 ILE CG1 1 1
11 1127 1 1 4 ILE CG2 C 7.551 1.193 8.716 1.00 . A A . 4 ILE CG2 1 1
11 1128 1 1 4 ILE H H 7.618 2.479 5.326 1.00 . A A . 4 ILE H 1 1
11 1129 1 1 4 ILE HA H 7.000 -0.161 5.773 1.00 . A A . 4 ILE HA 1 1
11 1130 1 1 4 ILE HB H 8.665 1.760 6.971 1.00 . A A . 4 ILE HB 1 1
11 1131 1 1 4 ILE HD11 H 8.524 -2.441 7.588 1.00 . A A . 4 ILE HD11 1 1
11 1132 1 1 4 ILE HD12 H 7.075 -1.437 7.576 1.00 . A A . 4 ILE HD12 1 1
11 1133 1 1 4 ILE HD13 H 8.141 -1.429 8.981 1.00 . A A . 4 ILE HD13 1 1
11 1134 1 1 4 ILE HG12 H 9.170 -0.600 6.271 1.00 . A A . 4 ILE HG12 1 1
11 1135 1 1 4 ILE HG13 H 9.800 -0.189 7.867 1.00 . A A . 4 ILE HG13 1 1
11 1136 1 1 4 ILE HG21 H 8.394 1.335 9.375 1.00 . A A . 4 ILE HG21 1 1
11 1137 1 1 4 ILE HG22 H 6.968 0.350 9.054 1.00 . A A . 4 ILE HG22 1 1
11 1138 1 1 4 ILE HG23 H 6.937 2.080 8.719 1.00 . A A . 4 ILE HG23 1 1
11 1139 1 1 4 ILE N N 6.853 1.869 5.377 1.00 . A A . 4 ILE N 1 1
11 1140 1 1 4 ILE O O 5.172 -0.334 7.621 1.00 . A A . 4 ILE O 1 1
11 1141 1 1 5 DHA C C 2.539 2.345 6.866 1.00 . A A . 5 DHA C 1 1
11 1142 1 1 5 DHA CA C 3.619 1.887 7.785 1.00 . A A . 5 DHA CA 1 1
11 1143 1 1 5 DHA CB C 3.349 1.580 9.062 1.00 . A A . 5 DHA CB 1 1
11 1144 1 1 5 DHA H H 5.136 2.674 6.688 1.00 . A A . 5 DHA H 1 1
11 1145 1 1 5 DHA HB1 H 4.140 1.250 9.719 1.00 . A A . 5 DHA HB1 1 1
11 1146 1 1 5 DHA HB2 H 2.341 1.662 9.438 1.00 . A A . 5 DHA HB2 1 1
11 1147 1 1 5 DHA N N 4.837 1.846 7.120 1.00 . A A . 5 DHA N 1 1
11 1148 1 1 5 DHA O O 1.718 1.564 6.383 1.00 . A A . 5 DHA O 1 1
11 1149 1 1 6 LEU C C 2.054 5.292 4.817 1.00 . A A . 6 LEU C 1 1
11 1150 1 1 6 LEU CA C 1.490 4.179 5.694 1.00 . A A . 6 LEU CA 1 1
11 1151 1 1 6 LEU CB C 0.306 4.719 6.503 1.00 . A A . 6 LEU CB 1 1
11 1152 1 1 6 LEU CD1 C -1.763 4.025 7.730 1.00 . A A . 6 LEU CD1 1 1
11 1153 1 1 6 LEU CD2 C -1.514 3.488 5.303 1.00 . A A . 6 LEU CD2 1 1
11 1154 1 1 6 LEU CG C -0.768 3.634 6.634 1.00 . A A . 6 LEU CG 1 1
11 1155 1 1 6 LEU H H 3.171 4.284 6.974 1.00 . A A . 6 LEU H 1 1
11 1156 1 1 6 LEU HA H 1.143 3.378 5.062 1.00 . A A . 6 LEU HA 1 1
11 1157 1 1 6 LEU HB2 H 0.648 5.009 7.486 1.00 . A A . 6 LEU HB2 1 1
11 1158 1 1 6 LEU HB3 H -0.111 5.578 6.000 1.00 . A A . 6 LEU HB3 1 1
11 1159 1 1 6 LEU HD11 H -1.933 3.179 8.379 1.00 . A A . 6 LEU HD11 1 1
11 1160 1 1 6 LEU HD12 H -2.698 4.322 7.276 1.00 . A A . 6 LEU HD12 1 1
11 1161 1 1 6 LEU HD13 H -1.366 4.846 8.305 1.00 . A A . 6 LEU HD13 1 1
11 1162 1 1 6 LEU HD21 H -2.470 3.017 5.478 1.00 . A A . 6 LEU HD21 1 1
11 1163 1 1 6 LEU HD22 H -0.933 2.881 4.628 1.00 . A A . 6 LEU HD22 1 1
11 1164 1 1 6 LEU HD23 H -1.669 4.465 4.868 1.00 . A A . 6 LEU HD23 1 1
11 1165 1 1 6 LEU HG H -0.300 2.696 6.891 1.00 . A A . 6 LEU HG 1 1
11 1166 1 1 6 LEU N N 2.517 3.663 6.591 1.00 . A A . 6 LEU N 1 1
11 1167 1 1 6 LEU O O 2.574 6.290 5.319 1.00 . A A . 6 LEU O 1 1
11 1168 1 1 7 CYS C C 1.418 6.343 1.453 1.00 . A A . 7 CYS C 1 1
11 1169 1 1 7 CYS CA C 2.438 6.113 2.561 1.00 . A A . 7 CYS CA 1 1
11 1170 1 1 7 CYS CB C 3.762 5.651 1.948 1.00 . A A . 7 CYS CB 1 1
11 1171 1 1 7 CYS H H 1.513 4.303 3.161 1.00 . A A . 7 CYS H 1 1
11 1172 1 1 7 CYS HA H 2.602 7.042 3.087 1.00 . A A . 7 CYS HA 1 1
11 1173 1 1 7 CYS HB2 H 3.682 4.614 1.656 1.00 . A A . 7 CYS HB2 1 1
11 1174 1 1 7 CYS HB3 H 3.985 6.252 1.079 1.00 . A A . 7 CYS HB3 1 1
11 1175 1 1 7 CYS N N 1.942 5.117 3.504 1.00 . A A . 7 CYS N 1 1
11 1176 1 1 7 CYS O O 1.080 7.482 1.132 1.00 . A A . 7 CYS O 1 1
11 1177 1 1 7 CYS SG S 5.092 5.834 3.162 1.00 . A A . 7 CYS SG 1 1
11 1178 1 1 8 ALA C C -1.399 5.822 0.345 1.00 . A A . 8 ALA C 1 1
11 1179 1 1 8 ALA CA C -0.056 5.344 -0.199 1.00 . A A . 8 ALA CA 1 1
11 1180 1 1 8 ALA CB C -0.231 3.980 -0.870 1.00 . A A . 8 ALA CB 1 1
11 1181 1 1 8 ALA H H 1.235 4.369 1.173 1.00 . A A . 8 ALA H 1 1
11 1182 1 1 8 ALA HA H 0.295 6.052 -0.935 1.00 . A A . 8 ALA HA 1 1
11 1183 1 1 8 ALA HB1 H -0.988 3.415 -0.346 1.00 . A A . 8 ALA HB1 1 1
11 1184 1 1 8 ALA HB2 H 0.705 3.442 -0.843 1.00 . A A . 8 ALA HB2 1 1
11 1185 1 1 8 ALA HB3 H -0.535 4.122 -1.897 1.00 . A A . 8 ALA HB3 1 1
11 1186 1 1 8 ALA N N 0.929 5.251 0.874 1.00 . A A . 8 ALA N 1 1
11 1187 1 1 8 ALA O O -2.091 6.523 -0.374 1.00 . A A . 8 ALA O 1 1
11 1188 1 1 8 ALA OXT O -1.716 5.477 1.472 1.00 . A A . 8 ALA OXT 1 1
12 1189 1 1 1 ILE C C 8.748 5.359 6.910 1.00 . A A . 1 ILE C 1 1
12 1190 1 1 1 ILE CA C 10.261 5.493 6.775 1.00 . A A . 1 ILE CA 1 1
12 1191 1 1 1 ILE CB C 10.616 6.882 6.239 1.00 . A A . 1 ILE CB 1 1
12 1192 1 1 1 ILE CD1 C 12.601 8.256 5.595 1.00 . A A . 1 ILE CD1 1 1
12 1193 1 1 1 ILE CG1 C 12.012 6.844 5.613 1.00 . A A . 1 ILE CG1 1 1
12 1194 1 1 1 ILE CG2 C 10.599 7.893 7.387 1.00 . A A . 1 ILE CG2 1 1
12 1195 1 1 1 ILE H1 H 10.001 4.164 5.194 1.00 . A A . 1 ILE H1 1 1
12 1196 1 1 1 ILE H2 H 11.103 3.633 6.372 1.00 . A A . 1 ILE H2 1 1
12 1197 1 1 1 ILE H3 H 11.550 4.848 5.273 1.00 . A A . 1 ILE H3 1 1
12 1198 1 1 1 ILE HA H 10.721 5.353 7.741 1.00 . A A . 1 ILE HA 1 1
12 1199 1 1 1 ILE HB H 9.892 7.175 5.492 1.00 . A A . 1 ILE HB 1 1
12 1200 1 1 1 ILE HD11 H 12.913 8.529 6.592 1.00 . A A . 1 ILE HD11 1 1
12 1201 1 1 1 ILE HD12 H 11.853 8.954 5.248 1.00 . A A . 1 ILE HD12 1 1
12 1202 1 1 1 ILE HD13 H 13.452 8.282 4.931 1.00 . A A . 1 ILE HD13 1 1
12 1203 1 1 1 ILE HG12 H 12.649 6.194 6.195 1.00 . A A . 1 ILE HG12 1 1
12 1204 1 1 1 ILE HG13 H 11.943 6.471 4.602 1.00 . A A . 1 ILE HG13 1 1
12 1205 1 1 1 ILE HG21 H 11.574 7.928 7.849 1.00 . A A . 1 ILE HG21 1 1
12 1206 1 1 1 ILE HG22 H 9.864 7.593 8.120 1.00 . A A . 1 ILE HG22 1 1
12 1207 1 1 1 ILE HG23 H 10.347 8.869 7.001 1.00 . A A . 1 ILE HG23 1 1
12 1208 1 1 1 ILE N N 10.767 4.456 5.832 1.00 . A A . 1 ILE N 1 1
12 1209 1 1 1 ILE O O 8.250 4.743 7.854 1.00 . A A . 1 ILE O 1 1
12 1210 1 1 2 . C C 6.134 4.653 5.286 1.00 . A A . 2 DBU C 1 1
12 1211 1 1 2 . CA C 6.619 5.863 6.007 1.00 . A A . 2 DBU CA 1 1
12 1212 1 1 2 . CB C 5.754 6.701 6.593 1.00 . A A . 2 DBU CB 1 1
12 1213 1 1 2 . CG C 6.160 7.966 7.354 1.00 . A A . 2 DBU CG 1 1
12 1214 1 1 2 . H H 8.395 6.432 5.200 1.00 . A A . 2 DBU H 1 1
12 1215 1 1 2 . HB H 4.702 6.469 6.525 1.00 . A A . 2 DBU HB 1 1
12 1216 1 1 2 . HG1 H 6.095 7.784 8.416 1.00 . A A . 2 DBU HG1 1 1
12 1217 1 1 2 . HG2 H 5.497 8.775 7.085 1.00 . A A . 2 DBU HG2 1 1
12 1218 1 1 2 . HG3 H 7.175 8.231 7.095 1.00 . A A . 2 DBU HG3 1 1
12 1219 1 1 2 . N N 8.005 5.941 5.954 1.00 . A A . 2 DBU N 1 1
12 1220 1 1 2 . O O 5.319 3.878 5.787 1.00 . A A . 2 DBU O 1 1
12 1221 1 1 3 DAL C C 5.983 2.099 4.212 1.00 . A A . 3 DAL C 1 1
12 1222 1 1 3 DAL CA C 6.213 3.293 3.290 1.00 . A A . 3 DAL CA 1 1
12 1223 1 1 3 DAL CB C 4.921 3.610 2.533 1.00 . A A . 3 DAL CB 1 1
12 1224 1 1 3 DAL H H 7.290 5.075 3.658 1.00 . A A . 3 DAL H 1 1
12 1225 1 1 3 DAL HA H 6.981 3.040 2.576 1.00 . A A . 3 DAL HA 1 1
12 1226 1 1 3 DAL HB1 H 4.089 3.601 3.221 1.00 . A A . 3 DAL HB1 1 1
12 1227 1 1 3 DAL HB2 H 4.762 2.868 1.765 1.00 . A A . 3 DAL HB2 1 1
12 1228 1 1 3 DAL N N 6.641 4.457 4.056 1.00 . A A . 3 DAL N 1 1
12 1229 1 1 3 DAL O O 5.112 1.267 3.959 1.00 . A A . 3 DAL O 1 1
12 1230 1 1 4 ILE C C 5.214 0.835 6.764 1.00 . A A . 4 ILE C 1 1
12 1231 1 1 4 ILE CA C 6.642 0.926 6.231 1.00 . A A . 4 ILE CA 1 1
12 1232 1 1 4 ILE CB C 7.610 1.131 7.397 1.00 . A A . 4 ILE CB 1 1
12 1233 1 1 4 ILE CD1 C 9.980 1.647 7.994 1.00 . A A . 4 ILE CD1 1 1
12 1234 1 1 4 ILE CG1 C 9.039 1.238 6.860 1.00 . A A . 4 ILE CG1 1 1
12 1235 1 1 4 ILE CG2 C 7.513 -0.057 8.356 1.00 . A A . 4 ILE CG2 1 1
12 1236 1 1 4 ILE H H 7.446 2.715 5.430 1.00 . A A . 4 ILE H 1 1
12 1237 1 1 4 ILE HA H 6.889 0.001 5.733 1.00 . A A . 4 ILE HA 1 1
12 1238 1 1 4 ILE HB H 7.351 2.039 7.923 1.00 . A A . 4 ILE HB 1 1
12 1239 1 1 4 ILE HD11 H 10.942 1.919 7.582 1.00 . A A . 4 ILE HD11 1 1
12 1240 1 1 4 ILE HD12 H 10.102 0.819 8.677 1.00 . A A . 4 ILE HD12 1 1
12 1241 1 1 4 ILE HD13 H 9.563 2.491 8.520 1.00 . A A . 4 ILE HD13 1 1
12 1242 1 1 4 ILE HG12 H 9.346 0.281 6.462 1.00 . A A . 4 ILE HG12 1 1
12 1243 1 1 4 ILE HG13 H 9.075 1.981 6.078 1.00 . A A . 4 ILE HG13 1 1
12 1244 1 1 4 ILE HG21 H 8.414 -0.648 8.288 1.00 . A A . 4 ILE HG21 1 1
12 1245 1 1 4 ILE HG22 H 6.661 -0.667 8.090 1.00 . A A . 4 ILE HG22 1 1
12 1246 1 1 4 ILE HG23 H 7.396 0.305 9.366 1.00 . A A . 4 ILE HG23 1 1
12 1247 1 1 4 ILE N N 6.768 2.023 5.280 1.00 . A A . 4 ILE N 1 1
12 1248 1 1 4 ILE O O 4.525 -0.162 6.553 1.00 . A A . 4 ILE O 1 1
12 1249 1 1 5 DHA C C 2.490 2.323 6.969 1.00 . A A . 5 DHA C 1 1
12 1250 1 1 5 DHA CA C 3.479 1.880 7.990 1.00 . A A . 5 DHA CA 1 1
12 1251 1 1 5 DHA CB C 3.078 1.537 9.223 1.00 . A A . 5 DHA CB 1 1
12 1252 1 1 5 DHA H H 5.311 2.686 7.643 1.00 . A A . 5 DHA H 1 1
12 1253 1 1 5 DHA HB1 H 3.802 1.216 9.958 1.00 . A A . 5 DHA HB1 1 1
12 1254 1 1 5 DHA HB2 H 2.032 1.580 9.486 1.00 . A A . 5 DHA HB2 1 1
12 1255 1 1 5 DHA N N 4.767 1.890 7.469 1.00 . A A . 5 DHA N 1 1
12 1256 1 1 5 DHA O O 1.827 1.520 6.312 1.00 . A A . 5 DHA O 1 1
12 1257 1 1 6 LEU C C 2.065 5.208 4.933 1.00 . A A . 6 LEU C 1 1
12 1258 1 1 6 LEU CA C 1.412 4.157 5.824 1.00 . A A . 6 LEU CA 1 1
12 1259 1 1 6 LEU CB C 0.201 4.768 6.535 1.00 . A A . 6 LEU CB 1 1
12 1260 1 1 6 LEU CD1 C -0.193 6.713 8.052 1.00 . A A . 6 LEU CD1 1 1
12 1261 1 1 6 LEU CD2 C 0.495 4.509 9.001 1.00 . A A . 6 LEU CD2 1 1
12 1262 1 1 6 LEU CG C 0.658 5.464 7.818 1.00 . A A . 6 LEU CG 1 1
12 1263 1 1 6 LEU H H 2.890 4.292 7.331 1.00 . A A . 6 LEU H 1 1
12 1264 1 1 6 LEU HA H 1.076 3.336 5.209 1.00 . A A . 6 LEU HA 1 1
12 1265 1 1 6 LEU HB2 H -0.273 5.488 5.882 1.00 . A A . 6 LEU HB2 1 1
12 1266 1 1 6 LEU HB3 H -0.503 3.988 6.782 1.00 . A A . 6 LEU HB3 1 1
12 1267 1 1 6 LEU HD11 H -1.180 6.558 7.645 1.00 . A A . 6 LEU HD11 1 1
12 1268 1 1 6 LEU HD12 H 0.268 7.559 7.565 1.00 . A A . 6 LEU HD12 1 1
12 1269 1 1 6 LEU HD13 H -0.266 6.904 9.112 1.00 . A A . 6 LEU HD13 1 1
12 1270 1 1 6 LEU HD21 H 1.027 3.591 8.799 1.00 . A A . 6 LEU HD21 1 1
12 1271 1 1 6 LEU HD22 H -0.553 4.292 9.148 1.00 . A A . 6 LEU HD22 1 1
12 1272 1 1 6 LEU HD23 H 0.896 4.968 9.892 1.00 . A A . 6 LEU HD23 1 1
12 1273 1 1 6 LEU HG H 1.696 5.749 7.721 1.00 . A A . 6 LEU HG 1 1
12 1274 1 1 6 LEU N N 2.363 3.652 6.807 1.00 . A A . 6 LEU N 1 1
12 1275 1 1 6 LEU O O 2.641 6.180 5.423 1.00 . A A . 6 LEU O 1 1
12 1276 1 1 7 CYS C C 2.376 5.440 1.241 1.00 . A A . 7 CYS C 1 1
12 1277 1 1 7 CYS CA C 2.554 5.945 2.671 1.00 . A A . 7 CYS CA 1 1
12 1278 1 1 7 CYS CB C 4.044 6.143 2.979 1.00 . A A . 7 CYS CB 1 1
12 1279 1 1 7 CYS H H 1.498 4.216 3.289 1.00 . A A . 7 CYS H 1 1
12 1280 1 1 7 CYS HA H 2.052 6.897 2.768 1.00 . A A . 7 CYS HA 1 1
12 1281 1 1 7 CYS HB2 H 4.283 7.195 2.934 1.00 . A A . 7 CYS HB2 1 1
12 1282 1 1 7 CYS HB3 H 4.256 5.771 3.971 1.00 . A A . 7 CYS HB3 1 1
12 1283 1 1 7 CYS N N 1.970 5.007 3.622 1.00 . A A . 7 CYS N 1 1
12 1284 1 1 7 CYS O O 3.022 5.930 0.314 1.00 . A A . 7 CYS O 1 1
12 1285 1 1 7 CYS SG S 5.055 5.246 1.772 1.00 . A A . 7 CYS SG 1 1
12 1286 1 1 8 ALA C C 1.427 4.953 -1.334 1.00 . A A . 8 ALA C 1 1
12 1287 1 1 8 ALA CA C 1.241 3.894 -0.252 1.00 . A A . 8 ALA CA 1 1
12 1288 1 1 8 ALA CB C -0.184 3.341 -0.318 1.00 . A A . 8 ALA CB 1 1
12 1289 1 1 8 ALA H H 1.011 4.106 1.845 1.00 . A A . 8 ALA H 1 1
12 1290 1 1 8 ALA HA H 1.936 3.087 -0.428 1.00 . A A . 8 ALA HA 1 1
12 1291 1 1 8 ALA HB1 H -0.886 4.160 -0.335 1.00 . A A . 8 ALA HB1 1 1
12 1292 1 1 8 ALA HB2 H -0.371 2.724 0.549 1.00 . A A . 8 ALA HB2 1 1
12 1293 1 1 8 ALA HB3 H -0.298 2.749 -1.213 1.00 . A A . 8 ALA HB3 1 1
12 1294 1 1 8 ALA N N 1.496 4.458 1.070 1.00 . A A . 8 ALA N 1 1
12 1295 1 1 8 ALA O O 0.631 5.877 -1.373 1.00 . A A . 8 ALA O 1 1
12 1296 1 1 8 ALA OXT O 2.361 4.825 -2.108 1.00 . A A . 8 ALA OXT 1 1
13 1297 1 1 1 ILE C C 7.932 4.851 7.762 1.00 . A A . 1 ILE C 1 1
13 1298 1 1 1 ILE CA C 8.313 4.409 9.171 1.00 . A A . 1 ILE CA 1 1
13 1299 1 1 1 ILE CB C 7.949 5.504 10.176 1.00 . A A . 1 ILE CB 1 1
13 1300 1 1 1 ILE CD1 C 10.095 5.466 11.467 1.00 . A A . 1 ILE CD1 1 1
13 1301 1 1 1 ILE CG1 C 8.589 5.188 11.530 1.00 . A A . 1 ILE CG1 1 1
13 1302 1 1 1 ILE CG2 C 6.429 5.565 10.333 1.00 . A A . 1 ILE CG2 1 1
13 1303 1 1 1 ILE H1 H 10.074 3.636 8.375 1.00 . A A . 1 ILE H1 1 1
13 1304 1 1 1 ILE H2 H 10.000 3.586 10.071 1.00 . A A . 1 ILE H2 1 1
13 1305 1 1 1 ILE H3 H 10.288 5.058 9.273 1.00 . A A . 1 ILE H3 1 1
13 1306 1 1 1 ILE HA H 7.781 3.503 9.419 1.00 . A A . 1 ILE HA 1 1
13 1307 1 1 1 ILE HB H 8.310 6.456 9.816 1.00 . A A . 1 ILE HB 1 1
13 1308 1 1 1 ILE HD11 H 10.413 5.937 12.386 1.00 . A A . 1 ILE HD11 1 1
13 1309 1 1 1 ILE HD12 H 10.308 6.120 10.634 1.00 . A A . 1 ILE HD12 1 1
13 1310 1 1 1 ILE HD13 H 10.627 4.535 11.339 1.00 . A A . 1 ILE HD13 1 1
13 1311 1 1 1 ILE HG12 H 8.141 5.809 12.293 1.00 . A A . 1 ILE HG12 1 1
13 1312 1 1 1 ILE HG13 H 8.427 4.148 11.771 1.00 . A A . 1 ILE HG13 1 1
13 1313 1 1 1 ILE HG21 H 6.051 6.444 9.831 1.00 . A A . 1 ILE HG21 1 1
13 1314 1 1 1 ILE HG22 H 6.177 5.614 11.382 1.00 . A A . 1 ILE HG22 1 1
13 1315 1 1 1 ILE HG23 H 5.986 4.683 9.897 1.00 . A A . 1 ILE HG23 1 1
13 1316 1 1 1 ILE N N 9.779 4.153 9.227 1.00 . A A . 1 ILE N 1 1
13 1317 1 1 1 ILE O O 8.768 4.868 6.859 1.00 . A A . 1 ILE O 1 1
13 1318 1 1 2 . C C 6.030 4.456 5.413 1.00 . A A . 2 DBU C 1 1
13 1319 1 1 2 . CA C 6.232 5.627 6.309 1.00 . A A . 2 DBU CA 1 1
13 1320 1 1 2 . CB C 6.017 6.873 5.865 1.00 . A A . 2 DBU CB 1 1
13 1321 1 1 2 . CG C 6.200 8.135 6.711 1.00 . A A . 2 DBU CG 1 1
13 1322 1 1 2 . H H 5.980 5.203 8.281 1.00 . A A . 2 DBU H 1 1
13 1323 1 1 2 . HB H 5.690 6.993 4.843 1.00 . A A . 2 DBU HB 1 1
13 1324 1 1 2 . HG1 H 6.153 9.006 6.073 1.00 . A A . 2 DBU HG1 1 1
13 1325 1 1 2 . HG2 H 7.161 8.101 7.203 1.00 . A A . 2 DBU HG2 1 1
13 1326 1 1 2 . HG3 H 5.418 8.188 7.452 1.00 . A A . 2 DBU HG3 1 1
13 1327 1 1 2 . N N 6.652 5.214 7.568 1.00 . A A . 2 DBU N 1 1
13 1328 1 1 2 . O O 5.191 3.587 5.652 1.00 . A A . 2 DBU O 1 1
13 1329 1 1 3 DAL C C 6.448 1.984 4.158 1.00 . A A . 3 DAL C 1 1
13 1330 1 1 3 DAL CA C 6.695 3.287 3.402 1.00 . A A . 3 DAL CA 1 1
13 1331 1 1 3 DAL CB C 5.553 3.549 2.418 1.00 . A A . 3 DAL CB 1 1
13 1332 1 1 3 DAL H H 7.494 5.096 4.145 1.00 . A A . 3 DAL H 1 1
13 1333 1 1 3 DAL HA H 7.616 3.192 2.844 1.00 . A A . 3 DAL HA 1 1
13 1334 1 1 3 DAL HB1 H 5.404 2.675 1.800 1.00 . A A . 3 DAL HB1 1 1
13 1335 1 1 3 DAL HB2 H 5.812 4.389 1.792 1.00 . A A . 3 DAL HB2 1 1
13 1336 1 1 3 DAL N N 6.825 4.404 4.330 1.00 . A A . 3 DAL N 1 1
13 1337 1 1 3 DAL O O 5.914 1.023 3.602 1.00 . A A . 3 DAL O 1 1
13 1338 1 1 4 ILE C C 5.244 0.667 6.768 1.00 . A A . 4 ILE C 1 1
13 1339 1 1 4 ILE CA C 6.676 0.768 6.251 1.00 . A A . 4 ILE CA 1 1
13 1340 1 1 4 ILE CB C 7.644 0.811 7.436 1.00 . A A . 4 ILE CB 1 1
13 1341 1 1 4 ILE CD1 C 9.183 -1.070 6.826 1.00 . A A . 4 ILE CD1 1 1
13 1342 1 1 4 ILE CG1 C 9.055 0.450 6.960 1.00 . A A . 4 ILE CG1 1 1
13 1343 1 1 4 ILE CG2 C 7.195 -0.190 8.503 1.00 . A A . 4 ILE CG2 1 1
13 1344 1 1 4 ILE H H 7.272 2.754 5.809 1.00 . A A . 4 ILE H 1 1
13 1345 1 1 4 ILE HA H 6.894 -0.104 5.654 1.00 . A A . 4 ILE HA 1 1
13 1346 1 1 4 ILE HB H 7.649 1.806 7.858 1.00 . A A . 4 ILE HB 1 1
13 1347 1 1 4 ILE HD11 H 9.777 -1.305 5.957 1.00 . A A . 4 ILE HD11 1 1
13 1348 1 1 4 ILE HD12 H 8.202 -1.508 6.720 1.00 . A A . 4 ILE HD12 1 1
13 1349 1 1 4 ILE HD13 H 9.662 -1.469 7.707 1.00 . A A . 4 ILE HD13 1 1
13 1350 1 1 4 ILE HG12 H 9.241 0.914 6.003 1.00 . A A . 4 ILE HG12 1 1
13 1351 1 1 4 ILE HG13 H 9.779 0.807 7.679 1.00 . A A . 4 ILE HG13 1 1
13 1352 1 1 4 ILE HG21 H 8.060 -0.591 9.008 1.00 . A A . 4 ILE HG21 1 1
13 1353 1 1 4 ILE HG22 H 6.645 -0.993 8.036 1.00 . A A . 4 ILE HG22 1 1
13 1354 1 1 4 ILE HG23 H 6.560 0.311 9.220 1.00 . A A . 4 ILE HG23 1 1
13 1355 1 1 4 ILE N N 6.848 1.960 5.425 1.00 . A A . 4 ILE N 1 1
13 1356 1 1 4 ILE O O 4.665 -0.417 6.808 1.00 . A A . 4 ILE O 1 1
13 1357 1 1 5 DHA C C 2.444 2.517 6.751 1.00 . A A . 5 DHA C 1 1
13 1358 1 1 5 DHA CA C 3.366 1.789 7.665 1.00 . A A . 5 DHA CA 1 1
13 1359 1 1 5 DHA CB C 2.905 1.221 8.787 1.00 . A A . 5 DHA CB 1 1
13 1360 1 1 5 DHA H H 5.121 2.678 7.153 1.00 . A A . 5 DHA H 1 1
13 1361 1 1 5 DHA HB1 H 3.580 0.694 9.445 1.00 . A A . 5 DHA HB1 1 1
13 1362 1 1 5 DHA HB2 H 1.857 1.288 9.039 1.00 . A A . 5 DHA HB2 1 1
13 1363 1 1 5 DHA N N 4.666 1.810 7.177 1.00 . A A . 5 DHA N 1 1
13 1364 1 1 5 DHA O O 1.841 1.945 5.842 1.00 . A A . 5 DHA O 1 1
13 1365 1 1 6 LEU C C 2.177 5.201 4.940 1.00 . A A . 6 LEU C 1 1
13 1366 1 1 6 LEU CA C 1.414 4.611 6.121 1.00 . A A . 6 LEU CA 1 1
13 1367 1 1 6 LEU CB C 0.765 5.738 6.926 1.00 . A A . 6 LEU CB 1 1
13 1368 1 1 6 LEU CD1 C 0.628 4.498 9.089 1.00 . A A . 6 LEU CD1 1 1
13 1369 1 1 6 LEU CD2 C -1.067 6.249 8.546 1.00 . A A . 6 LEU CD2 1 1
13 1370 1 1 6 LEU CG C -0.184 5.142 7.966 1.00 . A A . 6 LEU CG 1 1
13 1371 1 1 6 LEU H H 2.783 4.292 7.702 1.00 . A A . 6 LEU H 1 1
13 1372 1 1 6 LEU HA H 0.637 3.961 5.746 1.00 . A A . 6 LEU HA 1 1
13 1373 1 1 6 LEU HB2 H 1.534 6.311 7.425 1.00 . A A . 6 LEU HB2 1 1
13 1374 1 1 6 LEU HB3 H 0.210 6.383 6.261 1.00 . A A . 6 LEU HB3 1 1
13 1375 1 1 6 LEU HD11 H 0.893 3.489 8.811 1.00 . A A . 6 LEU HD11 1 1
13 1376 1 1 6 LEU HD12 H 0.039 4.479 9.995 1.00 . A A . 6 LEU HD12 1 1
13 1377 1 1 6 LEU HD13 H 1.527 5.072 9.258 1.00 . A A . 6 LEU HD13 1 1
13 1378 1 1 6 LEU HD21 H -1.639 5.856 9.374 1.00 . A A . 6 LEU HD21 1 1
13 1379 1 1 6 LEU HD22 H -1.740 6.609 7.782 1.00 . A A . 6 LEU HD22 1 1
13 1380 1 1 6 LEU HD23 H -0.445 7.061 8.891 1.00 . A A . 6 LEU HD23 1 1
13 1381 1 1 6 LEU HG H -0.806 4.392 7.496 1.00 . A A . 6 LEU HG 1 1
13 1382 1 1 6 LEU N N 2.306 3.836 6.978 1.00 . A A . 6 LEU N 1 1
13 1383 1 1 6 LEU O O 3.316 5.645 5.085 1.00 . A A . 6 LEU O 1 1
13 1384 1 1 7 CYS C C 1.554 5.085 1.328 1.00 . A A . 7 CYS C 1 1
13 1385 1 1 7 CYS CA C 2.148 5.746 2.566 1.00 . A A . 7 CYS CA 1 1
13 1386 1 1 7 CYS CB C 3.660 5.520 2.582 1.00 . A A . 7 CYS CB 1 1
13 1387 1 1 7 CYS H H 0.628 4.839 3.730 1.00 . A A . 7 CYS H 1 1
13 1388 1 1 7 CYS HA H 1.955 6.807 2.521 1.00 . A A . 7 CYS HA 1 1
13 1389 1 1 7 CYS HB2 H 4.029 5.541 1.568 1.00 . A A . 7 CYS HB2 1 1
13 1390 1 1 7 CYS HB3 H 4.136 6.303 3.153 1.00 . A A . 7 CYS HB3 1 1
13 1391 1 1 7 CYS N N 1.535 5.205 3.777 1.00 . A A . 7 CYS N 1 1
13 1392 1 1 7 CYS O O 1.087 5.762 0.413 1.00 . A A . 7 CYS O 1 1
13 1393 1 1 7 CYS SG S 4.029 3.910 3.332 1.00 . A A . 7 CYS SG 1 1
13 1394 1 1 8 ALA C C -0.374 3.473 -0.152 1.00 . A A . 8 ALA C 1 1
13 1395 1 1 8 ALA CA C 1.042 3.010 0.175 1.00 . A A . 8 ALA CA 1 1
13 1396 1 1 8 ALA CB C 1.032 1.516 0.500 1.00 . A A . 8 ALA CB 1 1
13 1397 1 1 8 ALA H H 1.965 3.271 2.064 1.00 . A A . 8 ALA H 1 1
13 1398 1 1 8 ALA HA H 1.673 3.174 -0.686 1.00 . A A . 8 ALA HA 1 1
13 1399 1 1 8 ALA HB1 H 2.041 1.131 0.460 1.00 . A A . 8 ALA HB1 1 1
13 1400 1 1 8 ALA HB2 H 0.419 0.993 -0.220 1.00 . A A . 8 ALA HB2 1 1
13 1401 1 1 8 ALA HB3 H 0.629 1.366 1.492 1.00 . A A . 8 ALA HB3 1 1
13 1402 1 1 8 ALA N N 1.579 3.757 1.305 1.00 . A A . 8 ALA N 1 1
13 1403 1 1 8 ALA O O -0.590 3.906 -1.271 1.00 . A A . 8 ALA O 1 1
13 1404 1 1 8 ALA OXT O -1.220 3.390 0.723 1.00 . A A . 8 ALA OXT 1 1
14 1405 1 1 1 ILE C C 8.332 6.859 4.891 1.00 . A A . 1 ILE C 1 1
14 1406 1 1 1 ILE CA C 8.727 7.254 6.310 1.00 . A A . 1 ILE CA 1 1
14 1407 1 1 1 ILE CB C 9.483 8.583 6.290 1.00 . A A . 1 ILE CB 1 1
14 1408 1 1 1 ILE CD1 C 9.012 10.364 4.558 1.00 . A A . 1 ILE CD1 1 1
14 1409 1 1 1 ILE CG1 C 8.524 9.708 5.855 1.00 . A A . 1 ILE CG1 1 1
14 1410 1 1 1 ILE CG2 C 10.665 8.477 5.321 1.00 . A A . 1 ILE CG2 1 1
14 1411 1 1 1 ILE H1 H 10.285 5.878 6.174 1.00 . A A . 1 ILE H1 1 1
14 1412 1 1 1 ILE H2 H 9.018 5.393 7.198 1.00 . A A . 1 ILE H2 1 1
14 1413 1 1 1 ILE H3 H 10.118 6.583 7.707 1.00 . A A . 1 ILE H3 1 1
14 1414 1 1 1 ILE HA H 7.838 7.356 6.914 1.00 . A A . 1 ILE HA 1 1
14 1415 1 1 1 ILE HB H 9.856 8.794 7.283 1.00 . A A . 1 ILE HB 1 1
14 1416 1 1 1 ILE HD11 H 9.996 10.779 4.714 1.00 . A A . 1 ILE HD11 1 1
14 1417 1 1 1 ILE HD12 H 8.329 11.151 4.274 1.00 . A A . 1 ILE HD12 1 1
14 1418 1 1 1 ILE HD13 H 9.053 9.623 3.773 1.00 . A A . 1 ILE HD13 1 1
14 1419 1 1 1 ILE HG12 H 7.538 9.295 5.695 1.00 . A A . 1 ILE HG12 1 1
14 1420 1 1 1 ILE HG13 H 8.474 10.454 6.634 1.00 . A A . 1 ILE HG13 1 1
14 1421 1 1 1 ILE HG21 H 10.300 8.237 4.333 1.00 . A A . 1 ILE HG21 1 1
14 1422 1 1 1 ILE HG22 H 11.336 7.700 5.655 1.00 . A A . 1 ILE HG22 1 1
14 1423 1 1 1 ILE HG23 H 11.192 9.420 5.290 1.00 . A A . 1 ILE HG23 1 1
14 1424 1 1 1 ILE N N 9.603 6.198 6.891 1.00 . A A . 1 ILE N 1 1
14 1425 1 1 1 ILE O O 7.378 7.396 4.328 1.00 . A A . 1 ILE O 1 1
14 1426 1 1 2 . C C 7.425 4.877 2.959 1.00 . A A . 2 DBU C 1 1
14 1427 1 1 2 . CA C 8.780 5.492 3.012 1.00 . A A . 2 DBU CA 1 1
14 1428 1 1 2 . CB C 9.532 5.588 1.908 1.00 . A A . 2 DBU CB 1 1
14 1429 1 1 2 . CG C 10.932 6.205 1.869 1.00 . A A . 2 DBU CG 1 1
14 1430 1 1 2 . H H 9.838 5.475 4.746 1.00 . A A . 2 DBU H 1 1
14 1431 1 1 2 . HB H 9.124 5.204 0.984 1.00 . A A . 2 DBU HB 1 1
14 1432 1 1 2 . HG1 H 11.636 5.476 1.497 1.00 . A A . 2 DBU HG1 1 1
14 1433 1 1 2 . HG2 H 11.220 6.507 2.866 1.00 . A A . 2 DBU HG2 1 1
14 1434 1 1 2 . HG3 H 10.928 7.067 1.219 1.00 . A A . 2 DBU HG3 1 1
14 1435 1 1 2 . N N 9.077 5.907 4.304 1.00 . A A . 2 DBU N 1 1
14 1436 1 1 2 . O O 6.436 5.527 2.630 1.00 . A A . 2 DBU O 1 1
14 1437 1 1 3 DAL C C 6.063 1.777 4.346 1.00 . A A . 3 DAL C 1 1
14 1438 1 1 3 DAL CA C 6.077 2.864 3.277 1.00 . A A . 3 DAL CA 1 1
14 1439 1 1 3 DAL CB C 4.913 3.826 3.543 1.00 . A A . 3 DAL CB 1 1
14 1440 1 1 3 DAL H H 8.165 3.070 3.550 1.00 . A A . 3 DAL H 1 1
14 1441 1 1 3 DAL HA H 5.939 2.407 2.309 1.00 . A A . 3 DAL HA 1 1
14 1442 1 1 3 DAL HB1 H 5.250 4.635 4.168 1.00 . A A . 3 DAL HB1 1 1
14 1443 1 1 3 DAL HB2 H 4.123 3.292 4.052 1.00 . A A . 3 DAL HB2 1 1
14 1444 1 1 3 DAL N N 7.362 3.570 3.292 1.00 . A A . 3 DAL N 1 1
14 1445 1 1 3 DAL O O 5.339 0.789 4.229 1.00 . A A . 3 DAL O 1 1
14 1446 1 1 4 ILE C C 5.581 0.873 7.166 1.00 . A A . 4 ILE C 1 1
14 1447 1 1 4 ILE CA C 6.934 0.994 6.473 1.00 . A A . 4 ILE CA 1 1
14 1448 1 1 4 ILE CB C 7.995 1.413 7.492 1.00 . A A . 4 ILE CB 1 1
14 1449 1 1 4 ILE CD1 C 8.516 3.438 8.860 1.00 . A A . 4 ILE CD1 1 1
14 1450 1 1 4 ILE CG1 C 8.162 2.934 7.459 1.00 . A A . 4 ILE CG1 1 1
14 1451 1 1 4 ILE CG2 C 9.328 0.748 7.144 1.00 . A A . 4 ILE CG2 1 1
14 1452 1 1 4 ILE H H 7.420 2.775 5.431 1.00 . A A . 4 ILE H 1 1
14 1453 1 1 4 ILE HA H 7.204 0.032 6.064 1.00 . A A . 4 ILE HA 1 1
14 1454 1 1 4 ILE HB H 7.686 1.104 8.480 1.00 . A A . 4 ILE HB 1 1
14 1455 1 1 4 ILE HD11 H 9.368 2.890 9.235 1.00 . A A . 4 ILE HD11 1 1
14 1456 1 1 4 ILE HD12 H 7.674 3.289 9.520 1.00 . A A . 4 ILE HD12 1 1
14 1457 1 1 4 ILE HD13 H 8.755 4.490 8.815 1.00 . A A . 4 ILE HD13 1 1
14 1458 1 1 4 ILE HG12 H 8.954 3.195 6.772 1.00 . A A . 4 ILE HG12 1 1
14 1459 1 1 4 ILE HG13 H 7.239 3.392 7.137 1.00 . A A . 4 ILE HG13 1 1
14 1460 1 1 4 ILE HG21 H 9.360 0.538 6.085 1.00 . A A . 4 ILE HG21 1 1
14 1461 1 1 4 ILE HG22 H 9.424 -0.175 7.697 1.00 . A A . 4 ILE HG22 1 1
14 1462 1 1 4 ILE HG23 H 10.140 1.411 7.406 1.00 . A A . 4 ILE HG23 1 1
14 1463 1 1 4 ILE N N 6.866 1.967 5.389 1.00 . A A . 4 ILE N 1 1
14 1464 1 1 4 ILE O O 5.239 -0.178 7.708 1.00 . A A . 4 ILE O 1 1
14 1465 1 1 5 DHA C C 2.484 2.319 6.790 1.00 . A A . 5 DHA C 1 1
14 1466 1 1 5 DHA CA C 3.549 1.936 7.758 1.00 . A A . 5 DHA CA 1 1
14 1467 1 1 5 DHA CB C 3.242 1.621 9.023 1.00 . A A . 5 DHA CB 1 1
14 1468 1 1 5 DHA H H 5.063 2.806 6.719 1.00 . A A . 5 DHA H 1 1
14 1469 1 1 5 DHA HB1 H 4.021 1.345 9.718 1.00 . A A . 5 DHA HB1 1 1
14 1470 1 1 5 DHA HB2 H 2.214 1.643 9.354 1.00 . A A . 5 DHA HB2 1 1
14 1471 1 1 5 DHA N N 4.797 1.966 7.149 1.00 . A A . 5 DHA N 1 1
14 1472 1 1 5 DHA O O 1.807 1.477 6.199 1.00 . A A . 5 DHA O 1 1
14 1473 1 1 6 LEU C C 1.730 5.340 4.929 1.00 . A A . 6 LEU C 1 1
14 1474 1 1 6 LEU CA C 1.278 4.083 5.666 1.00 . A A . 6 LEU CA 1 1
14 1475 1 1 6 LEU CB C -0.026 4.369 6.416 1.00 . A A . 6 LEU CB 1 1
14 1476 1 1 6 LEU CD1 C 1.183 5.173 8.454 1.00 . A A . 6 LEU CD1 1 1
14 1477 1 1 6 LEU CD2 C -1.152 4.296 8.643 1.00 . A A . 6 LEU CD2 1 1
14 1478 1 1 6 LEU CG C 0.186 4.143 7.914 1.00 . A A . 6 LEU CG 1 1
14 1479 1 1 6 LEU H H 2.843 4.309 7.071 1.00 . A A . 6 LEU H 1 1
14 1480 1 1 6 LEU HA H 1.099 3.300 4.945 1.00 . A A . 6 LEU HA 1 1
14 1481 1 1 6 LEU HB2 H -0.324 5.393 6.244 1.00 . A A . 6 LEU HB2 1 1
14 1482 1 1 6 LEU HB3 H -0.798 3.704 6.060 1.00 . A A . 6 LEU HB3 1 1
14 1483 1 1 6 LEU HD11 H 2.022 4.660 8.902 1.00 . A A . 6 LEU HD11 1 1
14 1484 1 1 6 LEU HD12 H 0.699 5.789 9.198 1.00 . A A . 6 LEU HD12 1 1
14 1485 1 1 6 LEU HD13 H 1.533 5.795 7.644 1.00 . A A . 6 LEU HD13 1 1
14 1486 1 1 6 LEU HD21 H -1.870 3.605 8.226 1.00 . A A . 6 LEU HD21 1 1
14 1487 1 1 6 LEU HD22 H -1.513 5.307 8.523 1.00 . A A . 6 LEU HD22 1 1
14 1488 1 1 6 LEU HD23 H -1.016 4.084 9.693 1.00 . A A . 6 LEU HD23 1 1
14 1489 1 1 6 LEU HG H 0.574 3.148 8.076 1.00 . A A . 6 LEU HG 1 1
14 1490 1 1 6 LEU N N 2.305 3.638 6.601 1.00 . A A . 6 LEU N 1 1
14 1491 1 1 6 LEU O O 1.809 6.420 5.515 1.00 . A A . 6 LEU O 1 1
14 1492 1 1 7 CYS C C 1.639 6.413 1.550 1.00 . A A . 7 CYS C 1 1
14 1493 1 1 7 CYS CA C 2.461 6.324 2.831 1.00 . A A . 7 CYS CA 1 1
14 1494 1 1 7 CYS CB C 3.941 6.177 2.475 1.00 . A A . 7 CYS CB 1 1
14 1495 1 1 7 CYS H H 1.938 4.308 3.227 1.00 . A A . 7 CYS H 1 1
14 1496 1 1 7 CYS HA H 2.327 7.233 3.398 1.00 . A A . 7 CYS HA 1 1
14 1497 1 1 7 CYS HB2 H 4.178 6.845 1.659 1.00 . A A . 7 CYS HB2 1 1
14 1498 1 1 7 CYS HB3 H 4.544 6.434 3.330 1.00 . A A . 7 CYS HB3 1 1
14 1499 1 1 7 CYS N N 2.022 5.192 3.641 1.00 . A A . 7 CYS N 1 1
14 1500 1 1 7 CYS O O 1.273 7.503 1.109 1.00 . A A . 7 CYS O 1 1
14 1501 1 1 7 CYS SG S 4.281 4.468 1.966 1.00 . A A . 7 CYS SG 1 1
14 1502 1 1 8 ALA C C -0.821 4.663 -0.008 1.00 . A A . 8 ALA C 1 1
14 1503 1 1 8 ALA CA C 0.576 5.215 -0.275 1.00 . A A . 8 ALA CA 1 1
14 1504 1 1 8 ALA CB C 1.285 4.335 -1.306 1.00 . A A . 8 ALA CB 1 1
14 1505 1 1 8 ALA H H 1.673 4.422 1.354 1.00 . A A . 8 ALA H 1 1
14 1506 1 1 8 ALA HA H 0.489 6.215 -0.672 1.00 . A A . 8 ALA HA 1 1
14 1507 1 1 8 ALA HB1 H 1.694 3.465 -0.815 1.00 . A A . 8 ALA HB1 1 1
14 1508 1 1 8 ALA HB2 H 2.083 4.896 -1.770 1.00 . A A . 8 ALA HB2 1 1
14 1509 1 1 8 ALA HB3 H 0.578 4.023 -2.061 1.00 . A A . 8 ALA HB3 1 1
14 1510 1 1 8 ALA N N 1.354 5.259 0.957 1.00 . A A . 8 ALA N 1 1
14 1511 1 1 8 ALA O O -1.339 4.911 1.068 1.00 . A A . 8 ALA O 1 1
14 1512 1 1 8 ALA OXT O -1.353 4.001 -0.885 1.00 . A A . 8 ALA OXT 1 1
15 1513 1 1 1 ILE C C 9.001 5.733 6.080 1.00 . A A . 1 ILE C 1 1
15 1514 1 1 1 ILE CA C 10.126 5.297 7.014 1.00 . A A . 1 ILE CA 1 1
15 1515 1 1 1 ILE CB C 11.088 6.461 7.265 1.00 . A A . 1 ILE CB 1 1
15 1516 1 1 1 ILE CD1 C 11.244 7.105 9.676 1.00 . A A . 1 ILE CD1 1 1
15 1517 1 1 1 ILE CG1 C 10.516 7.370 8.357 1.00 . A A . 1 ILE CG1 1 1
15 1518 1 1 1 ILE CG2 C 11.267 7.263 5.975 1.00 . A A . 1 ILE CG2 1 1
15 1519 1 1 1 ILE H1 H 11.822 4.488 6.117 1.00 . A A . 1 ILE H1 1 1
15 1520 1 1 1 ILE H2 H 10.359 3.836 5.549 1.00 . A A . 1 ILE H2 1 1
15 1521 1 1 1 ILE H3 H 10.957 3.389 7.076 1.00 . A A . 1 ILE H3 1 1
15 1522 1 1 1 ILE HA H 9.705 4.972 7.955 1.00 . A A . 1 ILE HA 1 1
15 1523 1 1 1 ILE HB H 12.046 6.073 7.582 1.00 . A A . 1 ILE HB 1 1
15 1524 1 1 1 ILE HD11 H 10.805 7.706 10.458 1.00 . A A . 1 ILE HD11 1 1
15 1525 1 1 1 ILE HD12 H 12.289 7.362 9.569 1.00 . A A . 1 ILE HD12 1 1
15 1526 1 1 1 ILE HD13 H 11.156 6.058 9.933 1.00 . A A . 1 ILE HD13 1 1
15 1527 1 1 1 ILE HG12 H 10.651 8.403 8.071 1.00 . A A . 1 ILE HG12 1 1
15 1528 1 1 1 ILE HG13 H 9.463 7.165 8.482 1.00 . A A . 1 ILE HG13 1 1
15 1529 1 1 1 ILE HG21 H 11.362 6.585 5.140 1.00 . A A . 1 ILE HG21 1 1
15 1530 1 1 1 ILE HG22 H 12.157 7.869 6.050 1.00 . A A . 1 ILE HG22 1 1
15 1531 1 1 1 ILE HG23 H 10.408 7.901 5.825 1.00 . A A . 1 ILE HG23 1 1
15 1532 1 1 1 ILE N N 10.873 4.168 6.392 1.00 . A A . 1 ILE N 1 1
15 1533 1 1 1 ILE O O 9.126 5.650 4.859 1.00 . A A . 1 ILE O 1 1
15 1534 1 1 2 . C C 6.669 5.746 4.676 1.00 . A A . 2 DBU C 1 1
15 1535 1 1 2 . CA C 6.804 6.603 5.885 1.00 . A A . 2 DBU CA 1 1
15 1536 1 1 2 . CB C 5.945 7.602 6.104 1.00 . A A . 2 DBU CB 1 1
15 1537 1 1 2 . CG C 5.992 8.537 7.313 1.00 . A A . 2 DBU CG 1 1
15 1538 1 1 2 . H H 7.774 6.255 7.636 1.00 . A A . 2 DBU H 1 1
15 1539 1 1 2 . HB H 5.167 7.757 5.374 1.00 . A A . 2 DBU HB 1 1
15 1540 1 1 2 . HG1 H 5.881 9.559 6.983 1.00 . A A . 2 DBU HG1 1 1
15 1541 1 1 2 . HG2 H 6.939 8.423 7.820 1.00 . A A . 2 DBU HG2 1 1
15 1542 1 1 2 . HG3 H 5.189 8.289 7.991 1.00 . A A . 2 DBU HG3 1 1
15 1543 1 1 2 . N N 7.881 6.194 6.664 1.00 . A A . 2 DBU N 1 1
15 1544 1 1 2 . O O 6.335 6.209 3.587 1.00 . A A . 2 DBU O 1 1
15 1545 1 1 3 DAL C C 6.413 2.124 4.274 1.00 . A A . 3 DAL C 1 1
15 1546 1 1 3 DAL CA C 6.831 3.494 3.752 1.00 . A A . 3 DAL CA 1 1
15 1547 1 1 3 DAL CB C 5.799 3.959 2.724 1.00 . A A . 3 DAL CB 1 1
15 1548 1 1 3 DAL H H 7.196 4.102 5.742 1.00 . A A . 3 DAL H 1 1
15 1549 1 1 3 DAL HA H 7.790 3.411 3.266 1.00 . A A . 3 DAL HA 1 1
15 1550 1 1 3 DAL HB1 H 5.486 3.112 2.129 1.00 . A A . 3 DAL HB1 1 1
15 1551 1 1 3 DAL HB2 H 6.236 4.704 2.078 1.00 . A A . 3 DAL HB2 1 1
15 1552 1 1 3 DAL N N 6.936 4.442 4.863 1.00 . A A . 3 DAL N 1 1
15 1553 1 1 3 DAL O O 5.643 1.411 3.630 1.00 . A A . 3 DAL O 1 1
15 1554 1 1 4 ILE C C 5.333 0.611 6.916 1.00 . A A . 4 ILE C 1 1
15 1555 1 1 4 ILE CA C 6.583 0.479 6.054 1.00 . A A . 4 ILE CA 1 1
15 1556 1 1 4 ILE CB C 7.748 -0.024 6.910 1.00 . A A . 4 ILE CB 1 1
15 1557 1 1 4 ILE CD1 C 9.548 0.718 8.481 1.00 . A A . 4 ILE CD1 1 1
15 1558 1 1 4 ILE CG1 C 8.602 1.163 7.364 1.00 . A A . 4 ILE CG1 1 1
15 1559 1 1 4 ILE CG2 C 8.608 -0.982 6.084 1.00 . A A . 4 ILE CG2 1 1
15 1560 1 1 4 ILE H H 7.523 2.374 5.923 1.00 . A A . 4 ILE H 1 1
15 1561 1 1 4 ILE HA H 6.393 -0.237 5.268 1.00 . A A . 4 ILE HA 1 1
15 1562 1 1 4 ILE HB H 7.361 -0.543 7.775 1.00 . A A . 4 ILE HB 1 1
15 1563 1 1 4 ILE HD11 H 10.168 1.549 8.780 1.00 . A A . 4 ILE HD11 1 1
15 1564 1 1 4 ILE HD12 H 10.173 -0.088 8.124 1.00 . A A . 4 ILE HD12 1 1
15 1565 1 1 4 ILE HD13 H 8.971 0.376 9.328 1.00 . A A . 4 ILE HD13 1 1
15 1566 1 1 4 ILE HG12 H 9.179 1.531 6.528 1.00 . A A . 4 ILE HG12 1 1
15 1567 1 1 4 ILE HG13 H 7.959 1.948 7.731 1.00 . A A . 4 ILE HG13 1 1
15 1568 1 1 4 ILE HG21 H 8.059 -1.895 5.906 1.00 . A A . 4 ILE HG21 1 1
15 1569 1 1 4 ILE HG22 H 9.516 -1.207 6.624 1.00 . A A . 4 ILE HG22 1 1
15 1570 1 1 4 ILE HG23 H 8.855 -0.521 5.139 1.00 . A A . 4 ILE HG23 1 1
15 1571 1 1 4 ILE N N 6.918 1.764 5.452 1.00 . A A . 4 ILE N 1 1
15 1572 1 1 4 ILE O O 4.974 -0.305 7.656 1.00 . A A . 4 ILE O 1 1
15 1573 1 1 5 DHA C C 2.467 2.656 6.744 1.00 . A A . 5 DHA C 1 1
15 1574 1 1 5 DHA CA C 3.507 1.976 7.564 1.00 . A A . 5 DHA CA 1 1
15 1575 1 1 5 DHA CB C 3.266 1.646 8.839 1.00 . A A . 5 DHA CB 1 1
15 1576 1 1 5 DHA H H 4.941 2.501 6.226 1.00 . A A . 5 DHA H 1 1
15 1577 1 1 5 DHA HB1 H 4.027 1.153 9.426 1.00 . A A . 5 DHA HB1 1 1
15 1578 1 1 5 DHA HB2 H 2.310 1.874 9.287 1.00 . A A . 5 DHA HB2 1 1
15 1579 1 1 5 DHA N N 4.658 1.771 6.815 1.00 . A A . 5 DHA N 1 1
15 1580 1 1 5 DHA O O 1.757 2.039 5.950 1.00 . A A . 5 DHA O 1 1
15 1581 1 1 6 LEU C C 1.997 5.353 4.917 1.00 . A A . 6 LEU C 1 1
15 1582 1 1 6 LEU CA C 1.354 4.710 6.141 1.00 . A A . 6 LEU CA 1 1
15 1583 1 1 6 LEU CB C 0.696 5.789 7.003 1.00 . A A . 6 LEU CB 1 1
15 1584 1 1 6 LEU CD1 C 0.788 5.163 9.422 1.00 . A A . 6 LEU CD1 1 1
15 1585 1 1 6 LEU CD2 C -1.373 5.890 8.399 1.00 . A A . 6 LEU CD2 1 1
15 1586 1 1 6 LEU CG C -0.067 5.130 8.153 1.00 . A A . 6 LEU CG 1 1
15 1587 1 1 6 LEU H H 2.917 4.478 7.548 1.00 . A A . 6 LEU H 1 1
15 1588 1 1 6 LEU HA H 0.597 4.017 5.813 1.00 . A A . 6 LEU HA 1 1
15 1589 1 1 6 LEU HB2 H 1.457 6.445 7.403 1.00 . A A . 6 LEU HB2 1 1
15 1590 1 1 6 LEU HB3 H 0.009 6.363 6.400 1.00 . A A . 6 LEU HB3 1 1
15 1591 1 1 6 LEU HD11 H 0.910 6.187 9.747 1.00 . A A . 6 LEU HD11 1 1
15 1592 1 1 6 LEU HD12 H 1.756 4.733 9.215 1.00 . A A . 6 LEU HD12 1 1
15 1593 1 1 6 LEU HD13 H 0.300 4.595 10.199 1.00 . A A . 6 LEU HD13 1 1
15 1594 1 1 6 LEU HD21 H -1.860 5.493 9.278 1.00 . A A . 6 LEU HD21 1 1
15 1595 1 1 6 LEU HD22 H -2.023 5.774 7.544 1.00 . A A . 6 LEU HD22 1 1
15 1596 1 1 6 LEU HD23 H -1.158 6.937 8.549 1.00 . A A . 6 LEU HD23 1 1
15 1597 1 1 6 LEU HG H -0.288 4.104 7.896 1.00 . A A . 6 LEU HG 1 1
15 1598 1 1 6 LEU N N 2.352 3.984 6.918 1.00 . A A . 6 LEU N 1 1
15 1599 1 1 6 LEU O O 2.931 6.145 5.037 1.00 . A A . 6 LEU O 1 1
15 1600 1 1 7 CYS C C 0.999 5.404 1.373 1.00 . A A . 7 CYS C 1 1
15 1601 1 1 7 CYS CA C 2.023 5.543 2.494 1.00 . A A . 7 CYS CA 1 1
15 1602 1 1 7 CYS CB C 3.309 4.804 2.117 1.00 . A A . 7 CYS CB 1 1
15 1603 1 1 7 CYS H H 0.747 4.362 3.706 1.00 . A A . 7 CYS H 1 1
15 1604 1 1 7 CYS HA H 2.250 6.590 2.635 1.00 . A A . 7 CYS HA 1 1
15 1605 1 1 7 CYS HB2 H 3.064 3.820 1.745 1.00 . A A . 7 CYS HB2 1 1
15 1606 1 1 7 CYS HB3 H 3.839 5.355 1.353 1.00 . A A . 7 CYS HB3 1 1
15 1607 1 1 7 CYS N N 1.491 5.000 3.739 1.00 . A A . 7 CYS N 1 1
15 1608 1 1 7 CYS O O 0.788 6.332 0.593 1.00 . A A . 7 CYS O 1 1
15 1609 1 1 7 CYS SG S 4.362 4.649 3.577 1.00 . A A . 7 CYS SG 1 1
15 1610 1 1 8 ALA C C -2.028 4.395 0.782 1.00 . A A . 8 ALA C 1 1
15 1611 1 1 8 ALA CA C -0.647 3.991 0.279 1.00 . A A . 8 ALA CA 1 1
15 1612 1 1 8 ALA CB C -0.653 2.508 -0.102 1.00 . A A . 8 ALA CB 1 1
15 1613 1 1 8 ALA H H 0.567 3.538 1.957 1.00 . A A . 8 ALA H 1 1
15 1614 1 1 8 ALA HA H -0.408 4.575 -0.597 1.00 . A A . 8 ALA HA 1 1
15 1615 1 1 8 ALA HB1 H -1.488 2.308 -0.757 1.00 . A A . 8 ALA HB1 1 1
15 1616 1 1 8 ALA HB2 H -0.745 1.908 0.791 1.00 . A A . 8 ALA HB2 1 1
15 1617 1 1 8 ALA HB3 H 0.269 2.261 -0.607 1.00 . A A . 8 ALA HB3 1 1
15 1618 1 1 8 ALA N N 0.360 4.240 1.304 1.00 . A A . 8 ALA N 1 1
15 1619 1 1 8 ALA O O -2.673 3.571 1.411 1.00 . A A . 8 ALA O 1 1
15 1620 1 1 8 ALA OXT O -2.422 5.523 0.534 1.00 . A A . 8 ALA OXT 1 1
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