NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
642011 |
6qyw   |
34374 | cing | 3-converted-DOCR | STAR | entry | full | 10 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6qyw
# This DOCR 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, minor 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_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_6qyw
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6qyw"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 6qyw"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6qyw "Master copy" rr_6qyw
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6qyw
_Assembly.ID 1
_Assembly.Name 6qyw
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 753.9325
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "ILE DBU DAL ILE DHA LEU CYS ALA" 1 $ILE_DBU_DAL_ILE_DHA_LEU_CYS_ALA A . no . . . . . . rr_6qyw 1
stop_
save_
save_ILE_DBU_DAL_ILE_DHA_LEU_CYS_ALA
_Entity.Sf_category entity
_Entity.Sf_framecode ILE_DBU_DAL_ILE_DHA_LEU_CYS_ALA
_Entity.Entry_ID rr_6qyw
_Entity.ID 1
_Entity.Name ILE_DBU_DAL_ILE_DHA_LEU_CYS_ALA
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code IXXIXLCA
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 8
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 753.9325
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ILE . rr_6qyw 1
2 . . . rr_6qyw 1
3 . DAL . rr_6qyw 1
4 . ILE . rr_6qyw 1
5 . DHA . rr_6qyw 1
6 . LEU . rr_6qyw 1
7 . CYS . rr_6qyw 1
8 . ALA . rr_6qyw 1
stop_
loop_
_Entity_poly_seq.Hetero
_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 rr_6qyw 1
. . 2 2 rr_6qyw 1
. DAL 3 3 rr_6qyw 1
. ILE 4 4 rr_6qyw 1
. DHA 5 5 rr_6qyw 1
. LEU 6 6 rr_6qyw 1
. CYS 7 7 rr_6qyw 1
. ALA 8 8 rr_6qyw 1
stop_
save_
save_chem_comp_DBU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DBU
_Chem_comp.Entry_ID rr_6qyw
_Chem_comp.ID 1
_Chem_comp.Name Dbu
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H5 N O"
_Chem_comp.Formula_weight 83.0896
save_
save_chem_comp_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAL
_Chem_comp.Entry_ID rr_6qyw
_Chem_comp.ID DAL
_Chem_comp.Name D-alanine
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DAL
_Chem_comp.Std_deriv_one_letter_code A
_Chem_comp.Std_deriv_three_letter_code Ala
_Chem_comp.Std_deriv_PDB_code ALA
_Chem_comp.Std_deriv_chem_comp_name ALANINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H5 N O"
_Chem_comp.Formula_weight 71.0786
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-alanine name rr_6qyw DAL
stop_
save_
save_chem_comp_DHA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DHA
_Chem_comp.Entry_ID rr_6qyw
_Chem_comp.ID DHA
_Chem_comp.Name "2-AMINO-ACRYLIC ACID"
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DHA
_Chem_comp.Std_deriv_one_letter_code A
_Chem_comp.Std_deriv_three_letter_code Ala
_Chem_comp.Std_deriv_PDB_code ALA
_Chem_comp.Std_deriv_chem_comp_name ALANINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H3 N O"
_Chem_comp.Formula_weight 69.0628
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
"2-aminoacrylic acid" name rr_6qyw DHA
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6qyw
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 15
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_6qyw
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_6qyw 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_6qyw 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_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.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_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.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_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 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 1 . 2 . 1 1 1 ILE CA C 11.042 1.552 6.593 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 1 . 3 . 1 1 1 ILE CB C 12.489 1.966 6.873 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 1 . 4 . 1 1 1 ILE CD1 C 13.060 1.409 4.501 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 1 . 5 . 1 1 1 ILE CG1 C 13.133 2.486 5.584 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 1 . 6 . 1 1 1 ILE CG2 C 13.276 0.758 7.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 1 . 7 . 1 1 1 ILE H1 H 10.667 0.437 4.874 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 1 . 8 . 1 1 1 ILE H2 H 10.421 -0.417 6.323 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 1 . 9 . 1 1 1 ILE H3 H 11.998 -0.106 5.774 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 1 . 10 . 1 1 1 ILE HA H 10.520 1.416 7.528 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 1 . 11 . 1 1 1 ILE HB H 12.499 2.744 7.622 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 1 . 12 . 1 1 1 ILE HD11 H 13.729 1.666 3.693 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 1 . 13 . 1 1 1 ILE HD12 H 12.050 1.344 4.125 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 1 . 14 . 1 1 1 ILE HD13 H 13.352 0.457 4.918 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 1 . 15 . 1 1 1 ILE HG12 H 12.610 3.370 5.251 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 1 . 16 . 1 1 1 ILE HG13 H 14.167 2.732 5.775 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 1 . 17 . 1 1 1 ILE HG21 H 13.720 0.238 6.548 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 1 . 18 . 1 1 1 ILE HG22 H 12.609 0.090 7.909 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 1 . 19 . 1 1 1 ILE HG23 H 14.053 1.093 8.055 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 1 . 20 . 1 1 1 ILE N N 11.031 0.270 5.833 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 1 . 21 . 1 1 1 ILE O O 10.234 2.530 4.553 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 1 . 22 . 1 1 2 . C C 7.834 4.274 5.363 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 1 . 23 . 1 1 2 . CA C 9.195 4.705 5.784 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 1 . 24 . 1 1 2 . CB C 9.638 5.938 5.503 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 1 . 25 . 1 1 2 . CG C 11.019 6.469 5.894 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 1 . 26 . 1 1 2 . H H 9.928 3.767 7.431 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 1 . 27 . 1 1 2 . HB H 8.977 6.601 4.964 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 1 . 28 . 1 1 2 . HG1 H 11.763 5.707 5.712 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 1 . 29 . 1 1 2 . HG2 H 11.020 6.731 6.942 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 1 . 30 . 1 1 2 . HG3 H 11.248 7.345 5.303 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 1 . 31 . 1 1 2 . N N 9.849 3.680 6.459 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 1 . 32 . 1 1 2 . O O 6.867 4.329 6.123 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 1 . 33 . 1 1 3 DAL C C 5.947 2.154 4.394 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 1 . 34 . 1 1 3 DAL CA C 6.419 3.381 3.620 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 1 . 35 . 1 1 3 DAL CB C 5.398 4.510 3.771 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 1 . 36 . 1 1 3 DAL H H 8.493 3.777 3.497 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 1 . 37 . 1 1 3 DAL HA H 6.501 3.125 2.573 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 1 . 38 . 1 1 3 DAL HB1 H 5.881 5.378 4.196 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 1 . 39 . 1 1 3 DAL HB2 H 4.598 4.189 4.423 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 1 . 40 . 1 1 3 DAL N N 7.723 3.821 4.102 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 1 . 41 . 1 1 3 DAL O O 4.838 1.665 4.183 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 1 . 42 . 1 1 4 ILE C C 5.164 0.735 6.866 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 1 . 43 . 1 1 4 ILE CA C 6.454 0.492 6.089 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 1 . 44 . 1 1 4 ILE CB C 7.595 0.173 7.061 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 1 . 45 . 1 1 4 ILE CD1 C 6.299 -1.818 7.839 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 1 . 46 . 1 1 4 ILE CG1 C 7.649 -1.338 7.303 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 1 . 47 . 1 1 4 ILE CG2 C 7.361 0.892 8.391 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 1 . 48 . 1 1 4 ILE H H 7.667 2.094 5.415 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 1 . 49 . 1 1 4 ILE HA H 6.313 -0.352 5.431 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 1 . 50 . 1 1 4 ILE HB H 8.531 0.503 6.635 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 1 . 51 . 1 1 4 ILE HD11 H 5.872 -1.055 8.472 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 1 . 52 . 1 1 4 ILE HD12 H 6.441 -2.724 8.410 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 1 . 53 . 1 1 4 ILE HD13 H 5.634 -2.015 7.011 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 1 . 54 . 1 1 4 ILE HG12 H 7.869 -1.843 6.373 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 1 . 55 . 1 1 4 ILE HG13 H 8.421 -1.560 8.025 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 1 . 56 . 1 1 4 ILE HG21 H 7.156 1.936 8.204 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 1 . 57 . 1 1 4 ILE HG22 H 8.241 0.802 9.010 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 1 . 58 . 1 1 4 ILE HG23 H 6.518 0.445 8.898 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 1 . 59 . 1 1 4 ILE N N 6.797 1.663 5.289 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 1 . 60 . 1 1 4 ILE O O 4.378 -0.186 7.091 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 1 . 61 . 1 1 5 DHA C C 2.631 2.476 7.073 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 1 . 62 . 1 1 5 DHA CA C 3.786 2.298 7.995 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 1 . 63 . 1 1 5 DHA CB C 3.631 2.434 9.319 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 1 . 64 . 1 1 5 DHA H H 5.561 2.732 7.106 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 1 . 65 . 1 1 5 DHA HB1 H 4.474 2.304 9.982 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 1 . 66 . 1 1 5 DHA HB2 H 2.661 2.675 9.731 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 1 . 67 . 1 1 5 DHA N N 4.940 1.994 7.282 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 1 . 68 . 1 1 5 DHA O O 1.875 1.547 6.788 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 1 . 69 . 1 1 6 LEU C C 1.624 5.194 4.807 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 1 . 70 . 1 1 6 LEU CA C 1.353 3.959 5.659 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 1 . 71 . 1 1 6 LEU CB C 0.061 4.158 6.454 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 1 . 72 . 1 1 6 LEU CD1 C -1.154 4.416 4.284 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 1 . 73 . 1 1 6 LEU CD2 C -1.003 2.173 5.371 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 1 . 74 . 1 1 6 LEU CG C -1.130 3.677 5.623 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 1 . 75 . 1 1 6 LEU H H 3.066 4.451 6.797 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 1 . 76 . 1 1 6 LEU HA H 1.236 3.104 5.010 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 1 . 77 . 1 1 6 LEU HB2 H 0.113 3.589 7.372 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 1 . 78 . 1 1 6 LEU HB3 H -0.063 5.205 6.685 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 1 . 79 . 1 1 6 LEU HD11 H -1.100 5.481 4.460 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 1 . 80 . 1 1 6 LEU HD12 H -2.070 4.184 3.761 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 1 . 81 . 1 1 6 LEU HD13 H -0.309 4.107 3.687 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 1 . 82 . 1 1 6 LEU HD21 H -0.618 2.006 4.376 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 1 . 83 . 1 1 6 LEU HD22 H -1.973 1.708 5.464 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 1 . 84 . 1 1 6 LEU HD23 H -0.327 1.743 6.095 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 1 . 85 . 1 1 6 LEU HG H -2.046 3.877 6.161 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 1 . 86 . 1 1 6 LEU N N 2.464 3.711 6.570 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 1 . 87 . 1 1 6 LEU O O 1.496 6.324 5.277 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 1 . 88 . 1 1 7 CYS C C 1.862 5.714 1.220 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 1 . 89 . 1 1 7 CYS CA C 2.286 6.071 2.641 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 1 . 90 . 1 1 7 CYS CB C 3.782 6.392 2.665 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 1 . 91 . 1 1 7 CYS H H 2.084 4.046 3.233 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 1 . 92 . 1 1 7 CYS HA H 1.738 6.944 2.963 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 1 . 93 . 1 1 7 CYS HB2 H 3.985 7.209 1.989 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 1 . 94 . 1 1 7 CYS HB3 H 4.075 6.672 3.666 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 1 . 95 . 1 1 7 CYS N N 1.999 4.969 3.552 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 1 . 96 . 1 1 7 CYS O O 1.744 6.586 0.360 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 1 . 97 . 1 1 7 CYS SG S 4.719 4.933 2.147 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 1 . 98 . 1 1 8 ALA C C 0.060 2.981 -0.222 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 1 . 99 . 1 1 8 ALA CA C 1.220 3.966 -0.337 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 1 . 100 . 1 1 8 ALA CB C 2.397 3.290 -1.045 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 1 . 101 . 1 1 8 ALA H H 1.743 3.776 1.708 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 1 . 102 . 1 1 8 ALA HA H 0.903 4.815 -0.922 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 1 . 103 . 1 1 8 ALA HB1 H 3.312 3.519 -0.520 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 1 . 104 . 1 1 8 ALA HB2 H 2.463 3.654 -2.060 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 1 . 105 . 1 1 8 ALA HB3 H 2.245 2.221 -1.055 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 1 . 106 . 1 1 8 ALA N N 1.633 4.427 0.984 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 1 . 107 . 1 1 8 ALA O O -0.451 2.575 -1.254 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 1 . 108 . 1 1 8 ALA OXT O -0.299 2.648 0.894 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 2 . 109 . 1 1 1 ILE C C 7.219 4.711 9.129 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 2 . 110 . 1 1 1 ILE CA C 8.259 4.029 10.012 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 2 . 111 . 1 1 1 ILE CB C 8.453 4.827 11.303 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 2 . 112 . 1 1 1 ILE CD1 C 8.410 3.069 13.085 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 2 . 113 . 1 1 1 ILE CG1 C 9.306 4.013 12.281 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 2 . 114 . 1 1 1 ILE CG2 C 7.090 5.117 11.935 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 2 . 115 . 1 1 1 ILE H1 H 9.376 3.953 8.256 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 2 . 116 . 1 1 1 ILE H2 H 10.050 3.076 9.545 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 2 . 117 . 1 1 1 ILE H3 H 10.143 4.772 9.527 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 2 . 118 . 1 1 1 ILE HA H 7.925 3.031 10.253 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 2 . 119 . 1 1 1 ILE HB H 8.951 5.759 11.078 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 2 . 120 . 1 1 1 ILE HD11 H 7.959 3.611 13.903 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 2 . 121 . 1 1 1 ILE HD12 H 9.004 2.255 13.476 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 2 . 122 . 1 1 1 ILE HD13 H 7.636 2.674 12.444 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 2 . 123 . 1 1 1 ILE HG12 H 10.035 3.437 11.728 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 2 . 124 . 1 1 1 ILE HG13 H 9.817 4.684 12.957 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 2 . 125 . 1 1 1 ILE HG21 H 6.413 4.303 11.720 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 2 . 126 . 1 1 1 ILE HG22 H 6.693 6.034 11.527 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 2 . 127 . 1 1 1 ILE HG23 H 7.204 5.218 13.005 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 2 . 128 . 1 1 1 ILE N N 9.555 3.952 9.280 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 2 . 129 . 1 1 1 ILE O O 6.132 5.059 9.590 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 2 . 130 . 1 1 2 . C C 6.355 4.642 5.814 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 2 . 131 . 1 1 2 . CA C 6.660 5.523 6.975 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 2 . 132 . 1 1 2 . CB C 6.093 6.733 7.077 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 2 . 133 . 1 1 2 . CG C 6.342 7.710 8.228 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 2 . 134 . 1 1 2 . H H 8.419 4.632 7.469 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 2 . 135 . 1 1 2 . HB H 5.416 7.039 6.293 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 2 . 136 . 1 1 2 . HG1 H 7.002 7.254 8.950 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 2 . 137 . 1 1 2 . HG2 H 5.402 7.954 8.702 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 2 . 138 . 1 1 2 . HG3 H 6.795 8.611 7.843 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 2 . 139 . 1 1 2 . N N 7.555 4.906 7.842 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 2 . 140 . 1 1 2 . O O 5.336 3.955 5.768 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 2 . 141 . 1 1 3 DAL C C 6.337 2.508 4.046 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 2 . 142 . 1 1 3 DAL CA C 7.019 3.811 3.646 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 2 . 143 . 1 1 3 DAL CB C 6.135 4.562 2.649 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 2 . 144 . 1 1 3 DAL H H 8.069 5.196 4.852 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 2 . 145 . 1 1 3 DAL HA H 7.964 3.585 3.174 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 2 . 146 . 1 1 3 DAL HB1 H 5.886 3.909 1.826 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 2 . 147 . 1 1 3 DAL HB2 H 6.666 5.426 2.276 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 2 . 148 . 1 1 3 DAL N N 7.258 4.646 4.817 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 2 . 149 . 1 1 3 DAL O O 5.521 1.969 3.299 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 2 . 150 . 1 1 4 ILE C C 4.649 1.033 6.186 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 2 . 151 . 1 1 4 ILE CA C 6.076 0.771 5.720 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 2 . 152 . 1 1 4 ILE CB C 6.909 0.210 6.876 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 2 . 153 . 1 1 4 ILE CD1 C 9.059 0.468 8.122 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 2 . 154 . 1 1 4 ILE CG1 C 8.100 1.134 7.135 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 2 . 155 . 1 1 4 ILE CG2 C 7.420 -1.186 6.513 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 2 . 156 . 1 1 4 ILE H H 7.324 2.482 5.787 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 2 . 157 . 1 1 4 ILE HA H 6.055 0.050 4.917 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 2 . 158 . 1 1 4 ILE HB H 6.298 0.147 7.765 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 2 . 159 . 1 1 4 ILE HD11 H 9.567 -0.350 7.633 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 2 . 160 . 1 1 4 ILE HD12 H 8.503 0.092 8.968 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 2 . 161 . 1 1 4 ILE HD13 H 9.786 1.191 8.462 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 2 . 162 . 1 1 4 ILE HG12 H 8.614 1.327 6.205 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 2 . 163 . 1 1 4 ILE HG13 H 7.748 2.067 7.553 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 2 . 164 . 1 1 4 ILE HG21 H 6.583 -1.828 6.284 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 2 . 165 . 1 1 4 ILE HG22 H 7.971 -1.596 7.347 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 2 . 166 . 1 1 4 ILE HG23 H 8.068 -1.120 5.652 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 2 . 167 . 1 1 4 ILE N N 6.673 2.008 5.231 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 2 . 168 . 1 1 4 ILE O O 3.698 0.878 5.421 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 2 . 169 . 1 1 5 DHA C C 2.488 2.585 6.970 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 2 . 170 . 1 1 5 DHA CA C 3.223 1.729 7.936 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 2 . 171 . 1 1 5 DHA CB C 2.649 1.338 9.080 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 2 . 172 . 1 1 5 DHA H H 5.246 1.593 8.068 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 2 . 173 . 1 1 5 DHA HB1 H 3.190 0.716 9.777 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 2 . 174 . 1 1 5 DHA HB2 H 1.638 1.643 9.310 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 2 . 175 . 1 1 5 DHA N N 4.494 1.454 7.454 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 2 . 176 . 1 1 5 DHA O O 1.832 2.110 6.042 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 2 . 177 . 1 1 6 LEU C C 2.267 4.475 4.805 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 2 . 178 . 1 1 6 LEU CA C 1.905 4.811 6.250 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 2 . 179 . 1 1 6 LEU CB C 2.294 6.256 6.558 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 2 . 180 . 1 1 6 LEU CD1 C 1.262 6.289 8.831 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 2 . 181 . 1 1 6 LEU CD2 C 1.470 8.407 7.526 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 2 . 182 . 1 1 6 LEU CG C 1.216 6.900 7.431 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 2 . 183 . 1 1 6 LEU H H 3.118 4.287 7.901 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 2 . 184 . 1 1 6 LEU HA H 0.842 4.699 6.379 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 2 . 185 . 1 1 6 LEU HB2 H 3.239 6.270 7.082 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 2 . 186 . 1 1 6 LEU HB3 H 2.386 6.808 5.635 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 2 . 187 . 1 1 6 LEU HD11 H 1.979 6.825 9.436 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 2 . 188 . 1 1 6 LEU HD12 H 1.553 5.251 8.762 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 2 . 189 . 1 1 6 LEU HD13 H 0.284 6.359 9.286 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 2 . 190 . 1 1 6 LEU HD21 H 2.480 8.623 7.210 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 2 . 191 . 1 1 6 LEU HD22 H 1.335 8.731 8.547 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 2 . 192 . 1 1 6 LEU HD23 H 0.772 8.929 6.887 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 2 . 193 . 1 1 6 LEU HG H 0.245 6.723 6.992 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 2 . 194 . 1 1 6 LEU N N 2.591 3.910 7.165 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 2 . 195 . 1 1 6 LEU O O 2.949 3.484 4.544 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 2 . 196 . 1 1 7 CYS C C 1.004 4.188 1.837 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 2 . 197 . 1 1 7 CYS CA C 2.076 5.080 2.454 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 2 . 198 . 1 1 7 CYS CB C 3.450 4.428 2.265 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 2 . 199 . 1 1 7 CYS H H 1.258 6.072 4.141 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 2 . 200 . 1 1 7 CYS HA H 2.070 6.032 1.945 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 2 . 201 . 1 1 7 CYS HB2 H 3.364 3.361 2.397 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 2 . 202 . 1 1 7 CYS HB3 H 3.810 4.638 1.268 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 2 . 203 . 1 1 7 CYS N N 1.801 5.300 3.872 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 2 . 204 . 1 1 7 CYS O O 0.095 4.668 1.161 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 2 . 205 . 1 1 7 CYS SG S 4.615 5.096 3.477 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 2 . 206 . 1 1 8 ALA C C -1.257 2.269 2.027 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 2 . 207 . 1 1 8 ALA CA C 0.149 1.934 1.541 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 2 . 208 . 1 1 8 ALA CB C 0.517 0.514 1.979 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 2 . 209 . 1 1 8 ALA H H 1.861 2.558 2.624 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 2 . 210 . 1 1 8 ALA HA H 0.169 1.982 0.463 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 2 . 211 . 1 1 8 ALA HB1 H -0.246 -0.174 1.646 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 2 . 212 . 1 1 8 ALA HB2 H 0.589 0.477 3.056 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 2 . 213 . 1 1 8 ALA HB3 H 1.467 0.238 1.546 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 2 . 214 . 1 1 8 ALA N N 1.116 2.885 2.077 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 2 . 215 . 1 1 8 ALA O O -1.424 3.328 2.609 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 2 . 216 . 1 1 8 ALA OXT O -2.147 1.463 1.809 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 3 . 217 . 1 1 1 ILE C C 10.049 2.978 3.650 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 3 . 218 . 1 1 1 ILE CA C 11.220 2.061 3.989 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 3 . 219 . 1 1 1 ILE CB C 12.402 2.363 3.067 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 3 . 220 . 1 1 1 ILE CD1 C 13.037 0.328 1.762 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 3 . 221 . 1 1 1 ILE CG1 C 13.333 1.147 3.018 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 3 . 222 . 1 1 1 ILE CG2 C 13.172 3.573 3.602 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 3 . 223 . 1 1 1 ILE H1 H 10.842 0.391 2.804 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 3 . 224 . 1 1 1 ILE H2 H 9.832 0.518 4.164 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 3 . 225 . 1 1 1 ILE H3 H 11.447 0.022 4.344 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 3 . 226 . 1 1 1 ILE HA H 11.515 2.221 5.016 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 3 . 227 . 1 1 1 ILE HB H 12.038 2.580 2.073 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 3 . 228 . 1 1 1 ILE HD11 H 13.636 0.695 0.943 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 3 . 229 . 1 1 1 ILE HD12 H 11.990 0.417 1.512 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 3 . 230 . 1 1 1 ILE HD13 H 13.275 -0.710 1.945 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 3 . 231 . 1 1 1 ILE HG12 H 14.360 1.482 2.998 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 3 . 232 . 1 1 1 ILE HG13 H 13.171 0.535 3.893 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 3 . 233 . 1 1 1 ILE HG21 H 12.609 4.032 4.401 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 3 . 234 . 1 1 1 ILE HG22 H 13.317 4.288 2.807 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 3 . 235 . 1 1 1 ILE HG23 H 14.132 3.252 3.977 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 3 . 236 . 1 1 1 ILE N N 10.804 0.641 3.811 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 3 . 237 . 1 1 1 ILE O O 9.255 2.685 2.756 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 3 . 238 . 1 1 2 . C C 7.582 4.320 4.281 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 3 . 239 . 1 1 2 . CA C 8.901 4.996 4.127 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 3 . 240 . 1 1 2 . CB C 8.970 6.292 3.791 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 3 . 241 . 1 1 2 . CG C 10.276 7.068 3.612 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 3 . 242 . 1 1 2 . H H 10.570 4.346 5.087 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 3 . 243 . 1 1 2 . HB H 8.042 6.823 3.638 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 3 . 244 . 1 1 2 . HG1 H 10.111 7.902 2.945 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 3 . 245 . 1 1 2 . HG2 H 11.028 6.416 3.194 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 3 . 246 . 1 1 2 . HG3 H 10.611 7.436 4.571 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 3 . 247 . 1 1 2 . N N 9.941 4.107 4.375 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 3 . 248 . 1 1 2 . O O 6.900 4.448 5.297 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 3 . 249 . 1 1 3 DAL C C 5.896 1.851 4.459 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 3 . 250 . 1 1 3 DAL CA C 5.901 2.867 3.320 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 3 . 251 . 1 1 3 DAL CB C 4.769 3.877 3.528 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 3 . 252 . 1 1 3 DAL H H 7.729 3.460 2.436 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 3 . 253 . 1 1 3 DAL HA H 5.732 2.346 2.389 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 3 . 254 . 1 1 3 DAL HB1 H 5.164 4.766 3.989 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 3 . 255 . 1 1 3 DAL HB2 H 4.015 3.444 4.171 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 3 . 256 . 1 1 3 DAL N N 7.183 3.561 3.243 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 3 . 257 . 1 1 3 DAL O O 5.030 0.977 4.519 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 3 . 258 . 1 1 4 ILE C C 5.581 0.853 7.124 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 3 . 259 . 1 1 4 ILE CA C 6.954 1.052 6.493 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 3 . 260 . 1 1 4 ILE CB C 7.922 1.606 7.540 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 3 . 261 . 1 1 4 ILE CD1 C 10.135 2.718 7.872 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 3 . 262 . 1 1 4 ILE CG1 C 9.238 1.997 6.864 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 3 . 263 . 1 1 4 ILE CG2 C 8.195 0.539 8.601 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 3 . 264 . 1 1 4 ILE H H 7.527 2.682 5.268 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 3 . 265 . 1 1 4 ILE HA H 7.323 0.100 6.145 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 3 . 266 . 1 1 4 ILE HB H 7.484 2.476 8.009 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 3 . 267 . 1 1 4 ILE HD11 H 10.894 2.038 8.231 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 3 . 268 . 1 1 4 ILE HD12 H 9.538 3.061 8.704 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 3 . 269 . 1 1 4 ILE HD13 H 10.607 3.563 7.394 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 3 . 270 . 1 1 4 ILE HG12 H 9.738 1.107 6.507 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 3 . 271 . 1 1 4 ILE HG13 H 9.036 2.653 6.032 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 3 . 272 . 1 1 4 ILE HG21 H 9.160 0.717 9.051 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 3 . 273 . 1 1 4 ILE HG22 H 8.188 -0.438 8.140 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 3 . 274 . 1 1 4 ILE HG23 H 7.429 0.584 9.362 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 3 . 275 . 1 1 4 ILE N N 6.864 1.969 5.362 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 3 . 276 . 1 1 4 ILE O O 5.214 -0.259 7.505 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 3 . 277 . 1 1 5 DHA C C 2.503 2.261 6.810 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 3 . 278 . 1 1 5 DHA CA C 3.542 1.855 7.795 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 3 . 279 . 1 1 5 DHA CB C 3.199 1.471 9.031 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 3 . 280 . 1 1 5 DHA H H 5.096 2.836 6.931 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 3 . 281 . 1 1 5 DHA HB1 H 3.959 1.179 9.740 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 3 . 282 . 1 1 5 DHA HB2 H 2.159 1.451 9.324 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 3 . 283 . 1 1 5 DHA N N 4.809 1.949 7.235 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 3 . 284 . 1 1 5 DHA O O 1.771 1.438 6.257 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 3 . 285 . 1 1 6 LEU C C 1.906 5.311 4.897 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 3 . 286 . 1 1 6 LEU CA C 1.417 4.051 5.605 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 3 . 287 . 1 1 6 LEU CB C 0.102 4.347 6.325 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 3 . 288 . 1 1 6 LEU CD1 C -2.007 3.306 7.173 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 3 . 289 . 1 1 6 LEU CD2 C -1.347 3.024 4.777 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 3 . 290 . 1 1 6 LEU CG C -0.826 3.137 6.213 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 3 . 291 . 1 1 6 LEU H H 2.996 4.231 7.001 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 3 . 292 . 1 1 6 LEU HA H 1.245 3.280 4.868 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 3 . 293 . 1 1 6 LEU HB2 H 0.301 4.555 7.367 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 3 . 294 . 1 1 6 LEU HB3 H -0.373 5.205 5.872 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 3 . 295 . 1 1 6 LEU HD11 H -2.316 2.338 7.537 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 3 . 296 . 1 1 6 LEU HD12 H -2.829 3.775 6.653 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 3 . 297 . 1 1 6 LEU HD13 H -1.708 3.925 8.006 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 3 . 298 . 1 1 6 LEU HD21 H -0.920 3.812 4.175 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 3 . 299 . 1 1 6 LEU HD22 H -2.423 3.113 4.775 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 3 . 300 . 1 1 6 LEU HD23 H -1.065 2.065 4.368 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 3 . 301 . 1 1 6 LEU HG H -0.279 2.241 6.471 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 3 . 302 . 1 1 6 LEU N N 2.413 3.578 6.559 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 3 . 303 . 1 1 6 LEU O O 2.161 6.332 5.535 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 3 . 304 . 1 1 7 CYS C C 1.480 6.700 1.694 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 3 . 305 . 1 1 7 CYS CA C 2.485 6.376 2.793 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 3 . 306 . 1 1 7 CYS CB C 3.847 6.079 2.161 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 3 . 307 . 1 1 7 CYS H H 1.810 4.394 3.120 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 3 . 308 . 1 1 7 CYS HA H 2.582 7.232 3.444 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 3 . 309 . 1 1 7 CYS HB2 H 3.910 6.574 1.203 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 3 . 310 . 1 1 7 CYS HB3 H 4.631 6.446 2.803 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 3 . 311 . 1 1 7 CYS N N 2.031 5.233 3.576 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 3 . 312 . 1 1 7 CYS O O 0.908 7.790 1.662 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 3 . 313 . 1 1 7 CYS SG S 4.032 4.289 1.924 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 3 . 314 . 1 1 8 ALA C C -1.064 6.249 0.230 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 3 . 315 . 1 1 8 ALA CA C 0.330 5.938 -0.304 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 3 . 316 . 1 1 8 ALA CB C 0.278 4.681 -1.174 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 3 . 317 . 1 1 8 ALA H H 1.755 4.897 0.872 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 3 . 318 . 1 1 8 ALA HA H 0.667 6.766 -0.911 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 3 . 319 . 1 1 8 ALA HB1 H 0.974 4.781 -1.993 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 3 . 320 . 1 1 8 ALA HB2 H -0.721 4.553 -1.562 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 3 . 321 . 1 1 8 ALA HB3 H 0.546 3.820 -0.578 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 3 . 322 . 1 1 8 ALA N N 1.269 5.745 0.794 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 3 . 323 . 1 1 8 ALA O O -1.918 6.599 -0.568 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 3 . 324 . 1 1 8 ALA OXT O -1.257 6.133 1.429 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 4 . 325 . 1 1 1 ILE C C 6.701 5.458 7.706 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 4 . 326 . 1 1 1 ILE CA C 6.134 4.825 8.972 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 4 . 327 . 1 1 1 ILE CB C 5.632 5.916 9.920 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 4 . 328 . 1 1 1 ILE CD1 C 6.817 5.886 12.121 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 4 . 329 . 1 1 1 ILE CG1 C 5.601 5.370 11.350 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 4 . 330 . 1 1 1 ILE CG2 C 4.224 6.345 9.506 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 4 . 331 . 1 1 1 ILE H1 H 6.918 3.035 9.689 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 4 . 332 . 1 1 1 ILE H2 H 7.337 4.396 10.616 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 4 . 333 . 1 1 1 ILE H3 H 8.088 4.122 9.117 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 4 . 334 . 1 1 1 ILE HA H 5.315 4.173 8.710 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 4 . 335 . 1 1 1 ILE HB H 6.296 6.767 9.872 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 4 . 336 . 1 1 1 ILE HD11 H 7.676 5.908 11.466 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 4 . 337 . 1 1 1 ILE HD12 H 7.019 5.231 12.956 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 4 . 338 . 1 1 1 ILE HD13 H 6.616 6.882 12.486 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 4 . 339 . 1 1 1 ILE HG12 H 4.696 5.699 11.840 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 4 . 340 . 1 1 1 ILE HG13 H 5.624 4.291 11.324 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 4 . 341 . 1 1 1 ILE HG21 H 3.906 7.176 10.118 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 4 . 342 . 1 1 1 ILE HG22 H 3.541 5.518 9.639 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 4 . 343 . 1 1 1 ILE HG23 H 4.229 6.644 8.468 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 4 . 344 . 1 1 1 ILE N N 7.200 4.035 9.649 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 4 . 345 . 1 1 1 ILE O O 5.958 5.965 6.865 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 4 . 346 . 1 1 2 . C C 7.868 5.633 5.215 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 4 . 347 . 1 1 2 . CA C 8.633 5.987 6.443 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 4 . 348 . 1 1 2 . CB C 9.734 6.745 6.369 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 4 . 349 . 1 1 2 . CG C 10.579 7.158 7.576 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 4 . 350 . 1 1 2 . H H 8.635 5.028 8.234 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 4 . 351 . 1 1 2 . HB H 10.045 7.090 5.393 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 4 . 352 . 1 1 2 . HG1 H 10.126 8.011 8.058 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 4 . 353 . 1 1 2 . HG2 H 11.575 7.417 7.246 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 4 . 354 . 1 1 2 . HG3 H 10.634 6.336 8.273 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 4 . 355 . 1 1 2 . N N 8.039 5.430 7.568 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 4 . 356 . 1 1 2 . O O 7.415 6.497 4.468 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 4 . 357 . 1 1 3 DAL C C 6.251 2.534 4.170 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 4 . 358 . 1 1 3 DAL CA C 6.966 3.840 3.816 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 4 . 359 . 1 1 3 DAL CB C 5.956 4.908 3.355 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 4 . 360 . 1 1 3 DAL H H 8.072 3.642 5.602 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 4 . 361 . 1 1 3 DAL HA H 7.665 3.650 3.014 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 4 . 362 . 1 1 3 DAL HB1 H 6.469 5.646 2.756 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 4 . 363 . 1 1 3 DAL HB2 H 5.523 5.389 4.220 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 4 . 364 . 1 1 3 DAL N N 7.707 4.310 4.988 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 4 . 365 . 1 1 3 DAL O O 5.313 2.110 3.500 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 4 . 366 . 1 1 4 ILE C C 4.714 0.871 6.206 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 4 . 367 . 1 1 4 ILE CA C 6.125 0.633 5.680 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 4 . 368 . 1 1 4 ILE CB C 6.983 0.003 6.779 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 4 . 369 . 1 1 4 ILE CD1 C 8.485 0.536 8.702 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 4 . 370 . 1 1 4 ILE CG1 C 7.868 1.078 7.412 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 4 . 371 . 1 1 4 ILE CG2 C 7.866 -1.091 6.176 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 4 . 372 . 1 1 4 ILE H H 7.476 2.267 5.735 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 4 . 373 . 1 1 4 ILE HA H 6.077 -0.046 4.842 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 4 . 374 . 1 1 4 ILE HB H 6.341 -0.428 7.534 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 4 . 375 . 1 1 4 ILE HD11 H 9.515 0.857 8.772 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 4 . 376 . 1 1 4 ILE HD12 H 8.445 -0.543 8.695 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 4 . 377 . 1 1 4 ILE HD13 H 7.935 0.912 9.552 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 4 . 378 . 1 1 4 ILE HG12 H 8.653 1.350 6.721 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 4 . 379 . 1 1 4 ILE HG13 H 7.271 1.948 7.639 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 4 . 380 . 1 1 4 ILE HG21 H 8.184 -0.793 5.188 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 4 . 381 . 1 1 4 ILE HG22 H 7.305 -2.012 6.112 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 4 . 382 . 1 1 4 ILE HG23 H 8.733 -1.240 6.803 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 4 . 383 . 1 1 4 ILE N N 6.718 1.891 5.238 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 4 . 384 . 1 1 4 ILE O O 3.732 0.451 5.593 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 4 . 385 . 1 1 5 DHA C C 2.537 2.619 6.936 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 4 . 386 . 1 1 5 DHA CA C 3.355 1.825 7.894 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 4 . 387 . 1 1 5 DHA CB C 2.859 1.465 9.085 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 4 . 388 . 1 1 5 DHA H H 5.385 1.904 7.847 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 4 . 389 . 1 1 5 DHA HB1 H 3.461 0.889 9.772 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 4 . 390 . 1 1 5 DHA HB2 H 1.854 1.749 9.363 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 4 . 391 . 1 1 5 DHA N N 4.609 1.562 7.356 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 4 . 392 . 1 1 5 DHA O O 1.889 2.087 6.036 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 4 . 393 . 1 1 6 LEU C C 2.397 4.761 4.800 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 4 . 394 . 1 1 6 LEU CA C 1.781 4.789 6.198 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 4 . 395 . 1 1 6 LEU CB C 1.746 6.230 6.713 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 4 . 396 . 1 1 6 LEU CD1 C 0.246 8.096 7.437 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 4 . 397 . 1 1 6 LEU CD2 C -0.247 6.835 5.336 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 4 . 398 . 1 1 6 LEU CG C 0.298 6.723 6.762 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 4 . 399 . 1 1 6 LEU H H 3.074 4.379 7.822 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 4 . 400 . 1 1 6 LEU HA H 0.772 4.410 6.144 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 4 . 401 . 1 1 6 LEU HB2 H 2.173 6.267 7.705 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 4 . 402 . 1 1 6 LEU HB3 H 2.317 6.864 6.052 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 4 . 403 . 1 1 6 LEU HD11 H 1.251 8.444 7.624 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 4 . 404 . 1 1 6 LEU HD12 H -0.286 8.016 8.374 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 4 . 405 . 1 1 6 LEU HD13 H -0.265 8.796 6.793 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 4 . 406 . 1 1 6 LEU HD21 H -0.592 5.866 5.006 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 4 . 407 . 1 1 6 LEU HD22 H 0.535 7.182 4.678 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 4 . 408 . 1 1 6 LEU HD23 H -1.069 7.535 5.319 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 4 . 409 . 1 1 6 LEU HG H -0.302 6.023 7.325 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 4 . 410 . 1 1 6 LEU N N 2.555 3.953 7.108 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 4 . 411 . 1 1 6 LEU O O 3.574 4.441 4.640 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 4 . 412 . 1 1 7 CYS C C 1.965 3.727 1.790 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 4 . 413 . 1 1 7 CYS CA C 2.071 5.114 2.418 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 4 . 414 . 1 1 7 CYS CB C 3.523 5.591 2.373 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 4 . 415 . 1 1 7 CYS H H 0.668 5.347 3.986 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 4 . 416 . 1 1 7 CYS HA H 1.464 5.801 1.847 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 4 . 417 . 1 1 7 CYS HB2 H 3.682 6.176 1.479 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 4 . 418 . 1 1 7 CYS HB3 H 3.727 6.200 3.242 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 4 . 419 . 1 1 7 CYS N N 1.595 5.099 3.797 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 4 . 420 . 1 1 7 CYS O O 2.162 3.565 0.587 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 4 . 421 . 1 1 7 CYS SG S 4.636 4.163 2.363 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 4 . 422 . 1 1 8 ALA C C 0.274 1.222 1.257 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 4 . 423 . 1 1 8 ALA CA C 1.523 1.363 2.120 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 4 . 424 . 1 1 8 ALA CB C 1.449 0.386 3.295 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 4 . 425 . 1 1 8 ALA H H 1.507 2.918 3.563 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 4 . 426 . 1 1 8 ALA HA H 2.390 1.123 1.522 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 4 . 427 . 1 1 8 ALA HB1 H 0.561 -0.224 3.201 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 4 . 428 . 1 1 8 ALA HB2 H 1.408 0.939 4.220 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 4 . 429 . 1 1 8 ALA HB3 H 2.323 -0.248 3.293 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 4 . 430 . 1 1 8 ALA N N 1.652 2.731 2.612 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 4 . 431 . 1 1 8 ALA O O 0.039 0.130 0.765 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 4 . 432 . 1 1 8 ALA OXT O -0.431 2.205 1.101 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 5 . 433 . 1 1 1 ILE C C 10.293 4.599 4.918 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 5 . 434 . 1 1 1 ILE CA C 11.490 3.678 5.128 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 5 . 435 . 1 1 1 ILE CB C 11.320 2.408 4.291 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 5 . 436 . 1 1 1 ILE CD1 C 13.655 1.785 4.928 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 5 . 437 . 1 1 1 ILE CG1 C 12.207 1.298 4.858 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 5 . 438 . 1 1 1 ILE CG2 C 11.727 2.695 2.845 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 5 . 439 . 1 1 1 ILE H1 H 10.944 2.520 6.771 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 5 . 440 . 1 1 1 ILE H2 H 11.324 4.131 7.154 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 5 . 441 . 1 1 1 ILE H3 H 12.563 3.027 6.791 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 5 . 442 . 1 1 1 ILE HA H 12.393 4.189 4.826 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 5 . 443 . 1 1 1 ILE HB H 10.286 2.096 4.318 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 5 . 444 . 1 1 1 ILE HD11 H 13.823 2.525 4.160 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 5 . 445 . 1 1 1 ILE HD12 H 14.322 0.949 4.774 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 5 . 446 . 1 1 1 ILE HD13 H 13.842 2.221 5.898 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 5 . 447 . 1 1 1 ILE HG12 H 11.866 1.036 5.850 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 5 . 448 . 1 1 1 ILE HG13 H 12.151 0.430 4.217 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 5 . 449 . 1 1 1 ILE HG21 H 11.822 1.764 2.307 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 5 . 450 . 1 1 1 ILE HG22 H 12.673 3.215 2.834 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 5 . 451 . 1 1 1 ILE HG23 H 10.973 3.308 2.373 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 5 . 452 . 1 1 1 ILE N N 11.588 3.312 6.569 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 5 . 453 . 1 1 1 ILE O O 9.501 4.825 5.833 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 5 . 454 . 1 1 2 . C C 7.964 5.232 2.804 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 5 . 455 . 1 1 2 . CA C 9.088 5.984 3.421 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 5 . 456 . 1 1 2 . CB C 8.982 7.296 3.645 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 5 . 457 . 1 1 2 . CG C 10.080 8.158 4.272 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 5 . 458 . 1 1 2 . H H 10.782 4.960 2.958 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 5 . 459 . 1 1 2 . HB H 8.061 7.777 3.365 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 5 . 460 . 1 1 2 . HG1 H 10.871 8.313 3.553 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 5 . 461 . 1 1 2 . HG2 H 10.479 7.657 5.142 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 5 . 462 . 1 1 2 . HG3 H 9.666 9.111 4.565 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 5 . 463 . 1 1 2 . N N 10.156 5.137 3.692 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 5 . 464 . 1 1 2 . O O 7.275 5.715 1.905 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 5 . 465 . 1 1 3 DAL C C 6.150 2.248 3.865 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 5 . 466 . 1 1 3 DAL CA C 6.669 3.173 2.771 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 5 . 467 . 1 1 3 DAL CB C 5.528 4.062 2.277 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 5 . 468 . 1 1 3 DAL H H 8.307 3.638 4.014 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 5 . 469 . 1 1 3 DAL HA H 7.038 2.580 1.948 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 5 . 470 . 1 1 3 DAL HB1 H 5.699 4.332 1.245 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 5 . 471 . 1 1 3 DAL HB2 H 5.491 4.955 2.880 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 5 . 472 . 1 1 3 DAL N N 7.754 3.998 3.297 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 5 . 473 . 1 1 3 DAL O O 5.270 1.418 3.634 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 5 . 474 . 1 1 4 ILE C C 5.006 2.038 6.784 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 5 . 475 . 1 1 4 ILE CA C 6.324 1.557 6.187 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 5 . 476 . 1 1 4 ILE CB C 7.411 1.586 7.264 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 5 . 477 . 1 1 4 ILE CD1 C 7.496 4.082 7.118 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 5 . 478 . 1 1 4 ILE CG1 C 8.323 2.795 7.043 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 5 . 479 . 1 1 4 ILE CG2 C 8.239 0.304 7.186 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 5 . 480 . 1 1 4 ILE H H 7.423 3.061 5.175 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 5 . 481 . 1 1 4 ILE HA H 6.202 0.540 5.846 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 5 . 482 . 1 1 4 ILE HB H 6.948 1.655 8.238 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 5 . 483 . 1 1 4 ILE HD11 H 8.039 4.827 7.680 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 5 . 484 . 1 1 4 ILE HD12 H 6.556 3.877 7.606 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 5 . 485 . 1 1 4 ILE HD13 H 7.309 4.449 6.119 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 5 . 486 . 1 1 4 ILE HG12 H 9.087 2.814 7.807 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 5 . 487 . 1 1 4 ILE HG13 H 8.788 2.724 6.071 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 5 . 488 . 1 1 4 ILE HG21 H 7.581 -0.552 7.218 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 5 . 489 . 1 1 4 ILE HG22 H 8.922 0.265 8.022 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 5 . 490 . 1 1 4 ILE HG23 H 8.799 0.293 6.263 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 5 . 491 . 1 1 4 ILE N N 6.718 2.390 5.057 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 5 . 492 . 1 1 4 ILE O O 4.654 3.212 6.681 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 5 . 493 . 1 1 5 DHA C C 2.225 2.263 7.065 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 5 . 494 . 1 1 5 DHA CA C 3.057 1.462 8.007 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 5 . 495 . 1 1 5 DHA CB C 2.603 1.169 9.232 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 5 . 496 . 1 1 5 DHA H H 4.551 0.177 7.514 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 5 . 497 . 1 1 5 DHA HB1 H 3.209 0.587 9.912 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 5 . 498 . 1 1 5 DHA HB2 H 1.629 1.514 9.546 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 5 . 499 . 1 1 5 DHA N N 4.271 1.113 7.425 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 5 . 500 . 1 1 5 DHA O O 1.446 1.735 6.274 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 5 . 501 . 1 1 6 LEU C C 2.446 5.050 5.152 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 5 . 502 . 1 1 6 LEU CA C 1.577 4.443 6.251 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 5 . 503 . 1 1 6 LEU CB C 0.911 5.565 7.054 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 5 . 504 . 1 1 6 LEU CD1 C 0.792 6.649 9.303 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 5 . 505 . 1 1 6 LEU CD2 C 0.491 4.179 9.086 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 5 . 506 . 1 1 6 LEU CG C 1.235 5.399 8.539 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 5 . 507 . 1 1 6 LEU H H 2.988 4.019 7.771 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 5 . 508 . 1 1 6 LEU HA H 0.808 3.840 5.794 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 5 . 509 . 1 1 6 LEU HB2 H 1.276 6.521 6.710 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 5 . 510 . 1 1 6 LEU HB3 H -0.159 5.518 6.915 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 5 . 511 . 1 1 6 LEU HD11 H 0.195 7.275 8.655 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 5 . 512 . 1 1 6 LEU HD12 H 1.663 7.197 9.631 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 5 . 513 . 1 1 6 LEU HD13 H 0.205 6.357 10.162 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 5 . 514 . 1 1 6 LEU HD21 H 1.114 3.671 9.807 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 5 . 515 . 1 1 6 LEU HD22 H 0.258 3.507 8.274 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 5 . 516 . 1 1 6 LEU HD23 H -0.424 4.499 9.562 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 5 . 517 . 1 1 6 LEU HG H 2.299 5.262 8.663 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 5 . 518 . 1 1 6 LEU N N 2.370 3.598 7.138 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 5 . 519 . 1 1 6 LEU O O 3.540 5.548 5.415 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 5 . 520 . 1 1 7 CYS C C 1.889 6.716 2.174 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 5 . 521 . 1 1 7 CYS CA C 2.672 5.566 2.789 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 5 . 522 . 1 1 7 CYS CB C 2.905 4.485 1.733 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 5 . 523 . 1 1 7 CYS H H 1.064 4.605 3.774 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 5 . 524 . 1 1 7 CYS HA H 3.622 5.937 3.132 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 5 . 525 . 1 1 7 CYS HB2 H 1.955 4.064 1.435 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 5 . 526 . 1 1 7 CYS HB3 H 3.388 4.922 0.872 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 5 . 527 . 1 1 7 CYS N N 1.943 5.010 3.923 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 5 . 528 . 1 1 7 CYS O O 2.171 7.153 1.059 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 5 . 529 . 1 1 7 CYS SG S 3.954 3.179 2.417 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 5 . 530 . 1 1 8 ALA C C 0.274 9.536 3.312 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 5 . 531 . 1 1 8 ALA CA C 0.068 8.298 2.445 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 5 . 532 . 1 1 8 ALA CB C -1.405 7.889 2.479 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 5 . 533 . 1 1 8 ALA H H 0.730 6.802 3.794 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 5 . 534 . 1 1 8 ALA HA H 0.341 8.535 1.427 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 5 . 535 . 1 1 8 ALA HB1 H -1.913 8.302 1.620 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 5 . 536 . 1 1 8 ALA HB2 H -1.862 8.265 3.382 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 5 . 537 . 1 1 8 ALA HB3 H -1.480 6.812 2.458 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 5 . 538 . 1 1 8 ALA N N 0.902 7.197 2.914 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 5 . 539 . 1 1 8 ALA O O 0.052 9.440 4.508 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 5 . 540 . 1 1 8 ALA OXT O 0.651 10.561 2.768 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 6 . 541 . 1 1 1 ILE C C 10.636 3.968 4.640 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 6 . 542 . 1 1 1 ILE CA C 11.710 3.025 4.108 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 6 . 543 . 1 1 1 ILE CB C 13.042 3.768 3.987 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 6 . 544 . 1 1 1 ILE CD1 C 13.580 3.932 1.541 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 6 . 545 . 1 1 1 ILE CG1 C 13.006 4.676 2.750 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 6 . 546 . 1 1 1 ILE CG2 C 14.182 2.755 3.856 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 6 . 547 . 1 1 1 ILE H1 H 11.783 1.612 2.581 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 6 . 548 . 1 1 1 ILE H2 H 11.570 3.209 2.039 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 6 . 549 . 1 1 1 ILE H3 H 10.275 2.370 2.750 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 6 . 550 . 1 1 1 ILE HA H 11.825 2.194 4.787 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 6 . 551 . 1 1 1 ILE HB H 13.198 4.369 4.871 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 6 . 552 . 1 1 1 ILE HD11 H 14.653 3.859 1.639 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 6 . 553 . 1 1 1 ILE HD12 H 13.338 4.473 0.638 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 6 . 554 . 1 1 1 ILE HD13 H 13.154 2.941 1.491 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 6 . 555 . 1 1 1 ILE HG12 H 11.984 4.960 2.545 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 6 . 556 . 1 1 1 ILE HG13 H 13.595 5.561 2.938 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 6 . 557 . 1 1 1 ILE HG21 H 15.069 3.257 3.497 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 6 . 558 . 1 1 1 ILE HG22 H 13.899 1.983 3.155 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 6 . 559 . 1 1 1 ILE HG23 H 14.383 2.313 4.819 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 6 . 560 . 1 1 1 ILE N N 11.303 2.516 2.768 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 6 . 561 . 1 1 1 ILE O O 10.357 3.993 5.839 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 6 . 562 . 1 1 2 . C C 7.688 5.159 3.751 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 6 . 563 . 1 1 2 . CA C 9.037 5.644 4.153 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 6 . 564 . 1 1 2 . CB C 9.173 6.791 4.825 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 6 . 565 . 1 1 2 . CG C 10.513 7.372 5.283 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 6 . 566 . 1 1 2 . H H 10.242 4.746 2.783 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 6 . 567 . 1 1 2 . HB H 8.277 7.344 5.059 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 6 . 568 . 1 1 2 . HG1 H 10.367 7.944 6.188 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 6 . 569 . 1 1 2 . HG2 H 10.911 8.014 4.511 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 6 . 570 . 1 1 2 . HG3 H 11.208 6.566 5.474 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 6 . 571 . 1 1 2 . N N 10.025 4.758 3.739 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 6 . 572 . 1 1 2 . O O 6.841 5.914 3.280 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 6 . 573 . 1 1 3 DAL C C 5.865 2.084 4.516 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 6 . 574 . 1 1 3 DAL CA C 6.172 3.253 3.588 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 6 . 575 . 1 1 3 DAL CB C 5.043 4.282 3.714 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 6 . 576 . 1 1 3 DAL H H 8.157 3.262 4.317 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 6 . 577 . 1 1 3 DAL HA H 6.212 2.896 2.569 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 6 . 578 . 1 1 3 DAL HB1 H 5.302 5.014 4.463 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 6 . 579 . 1 1 3 DAL HB2 H 4.136 3.777 4.011 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 6 . 580 . 1 1 3 DAL N N 7.466 3.844 3.939 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 6 . 581 . 1 1 3 DAL O O 4.755 1.550 4.512 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 6 . 582 . 1 1 4 ILE C C 5.351 0.722 6.984 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 6 . 583 . 1 1 4 ILE CA C 6.676 0.585 6.241 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 6 . 584 . 1 1 4 ILE CB C 7.830 0.558 7.243 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 6 . 585 . 1 1 4 ILE CD1 C 10.242 -0.092 7.370 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 6 . 586 . 1 1 4 ILE CG1 C 9.159 0.528 6.484 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 6 . 587 . 1 1 4 ILE CG2 C 7.717 -0.691 8.118 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 6 . 588 . 1 1 4 ILE H H 7.717 2.154 5.270 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 6 . 589 . 1 1 4 ILE HA H 6.672 -0.342 5.688 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 6 . 590 . 1 1 4 ILE HB H 7.789 1.439 7.866 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 6 . 591 . 1 1 4 ILE HD11 H 10.255 -1.162 7.227 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 6 . 592 . 1 1 4 ILE HD12 H 10.029 0.130 8.406 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 6 . 593 . 1 1 4 ILE HD13 H 11.204 0.320 7.104 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 6 . 594 . 1 1 4 ILE HG12 H 9.047 -0.062 5.586 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 6 . 595 . 1 1 4 ILE HG13 H 9.446 1.535 6.221 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 6 . 596 . 1 1 4 ILE HG21 H 6.683 -0.848 8.390 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 6 . 597 . 1 1 4 ILE HG22 H 8.308 -0.559 9.013 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 6 . 598 . 1 1 4 ILE HG23 H 8.080 -1.548 7.571 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 6 . 599 . 1 1 4 ILE N N 6.854 1.692 5.310 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 6 . 600 . 1 1 4 ILE O O 4.704 -0.273 7.311 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 6 . 601 . 1 1 5 DHA C C 2.632 2.412 6.952 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 6 . 602 . 1 1 5 DHA CA C 3.739 2.184 7.921 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 6 . 603 . 1 1 5 DHA CB C 3.508 2.201 9.241 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 6 . 604 . 1 1 5 DHA H H 5.448 2.771 6.990 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 6 . 605 . 1 1 5 DHA HB1 H 4.319 2.036 9.935 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 6 . 606 . 1 1 5 DHA HB2 H 2.511 2.380 9.615 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 6 . 607 . 1 1 5 DHA N N 4.939 1.975 7.251 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 6 . 608 . 1 1 5 DHA O O 1.924 1.492 6.544 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 6 . 609 . 1 1 6 LEU C C 1.711 5.241 4.805 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 6 . 610 . 1 1 6 LEU CA C 1.386 3.978 5.595 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 6 . 611 . 1 1 6 LEU CB C 0.059 4.164 6.334 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 6 . 612 . 1 1 6 LEU CD1 C -1.064 4.068 4.101 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 6 . 613 . 1 1 6 LEU CD2 C -0.865 2.001 5.491 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 6 . 614 . 1 1 6 LEU CG C -1.070 3.517 5.530 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 6 . 615 . 1 1 6 LEU H H 3.017 4.415 6.870 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 6 . 616 . 1 1 6 LEU HA H 1.291 3.150 4.909 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 6 . 617 . 1 1 6 LEU HB2 H 0.121 3.700 7.308 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 6 . 618 . 1 1 6 LEU HB3 H -0.143 5.218 6.450 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 6 . 619 . 1 1 6 LEU HD11 H -0.743 5.099 4.115 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 6 . 620 . 1 1 6 LEU HD12 H -2.060 4.007 3.688 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 6 . 621 . 1 1 6 LEU HD13 H -0.387 3.487 3.493 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 6 . 622 . 1 1 6 LEU HD21 H -0.360 1.728 4.575 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 6 . 623 . 1 1 6 LEU HD22 H -1.824 1.506 5.535 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 6 . 624 . 1 1 6 LEU HD23 H -0.265 1.698 6.335 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 6 . 625 . 1 1 6 LEU HG H -2.018 3.743 5.997 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 6 . 626 . 1 1 6 LEU N N 2.452 3.682 6.546 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 6 . 627 . 1 1 6 LEU O O 1.698 6.347 5.347 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 6 . 628 . 1 1 7 CYS C C 1.943 5.901 1.215 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 6 . 629 . 1 1 7 CYS CA C 2.326 6.201 2.661 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 6 . 630 . 1 1 7 CYS CB C 3.822 6.511 2.744 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 6 . 631 . 1 1 7 CYS H H 1.995 4.164 3.142 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 6 . 632 . 1 1 7 CYS HA H 1.772 7.065 2.997 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 6 . 633 . 1 1 7 CYS HB2 H 4.041 7.384 2.147 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 6 . 634 . 1 1 7 CYS HB3 H 4.093 6.703 3.771 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 6 . 635 . 1 1 7 CYS N N 2.000 5.068 3.519 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 6 . 636 . 1 1 7 CYS O O 1.903 6.798 0.374 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 6 . 637 . 1 1 7 CYS SG S 4.772 5.100 2.120 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 6 . 638 . 1 1 8 ALA C C -0.167 3.732 -0.430 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 6 . 639 . 1 1 8 ALA CA C 1.279 4.221 -0.409 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 6 . 640 . 1 1 8 ALA CB C 2.203 3.103 -0.894 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 6 . 641 . 1 1 8 ALA H H 1.707 3.962 1.649 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 6 . 642 . 1 1 8 ALA HA H 1.374 5.065 -1.076 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 6 . 643 . 1 1 8 ALA HB1 H 3.016 3.528 -1.462 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 6 . 644 . 1 1 8 ALA HB2 H 1.645 2.419 -1.518 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 6 . 645 . 1 1 8 ALA HB3 H 2.599 2.570 -0.042 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 6 . 646 . 1 1 8 ALA N N 1.660 4.633 0.937 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 6 . 647 . 1 1 8 ALA O O -0.657 3.349 0.619 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 6 . 648 . 1 1 8 ALA OXT O -0.762 3.750 -1.495 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 7 . 649 . 1 1 1 ILE C C 9.686 5.757 4.179 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 7 . 650 . 1 1 1 ILE CA C 11.023 5.492 4.864 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 7 . 651 . 1 1 1 ILE CB C 11.937 6.710 4.717 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 7 . 652 . 1 1 1 ILE CD1 C 12.179 9.028 5.621 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 7 . 653 . 1 1 1 ILE CG1 C 11.181 7.969 5.151 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 7 . 654 . 1 1 1 ILE CG2 C 12.369 6.854 3.256 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 7 . 655 . 1 1 1 ILE H1 H 12.496 4.619 3.678 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 7 . 656 . 1 1 1 ILE H2 H 10.994 3.827 3.615 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 7 . 657 . 1 1 1 ILE H3 H 11.993 3.653 4.979 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 7 . 658 . 1 1 1 ILE HA H 10.856 5.295 5.913 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 7 . 659 . 1 1 1 ILE HB H 12.811 6.582 5.338 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 7 . 660 . 1 1 1 ILE HD11 H 12.700 8.669 6.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 7 . 661 . 1 1 1 ILE HD12 H 11.651 9.938 5.865 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 7 . 662 . 1 1 1 ILE HD13 H 12.892 9.226 4.834 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 7 . 663 . 1 1 1 ILE HG12 H 10.613 8.354 4.317 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 7 . 664 . 1 1 1 ILE HG13 H 10.510 7.724 5.962 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 7 . 665 . 1 1 1 ILE HG21 H 13.421 6.628 3.168 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 7 . 666 . 1 1 1 ILE HG22 H 12.189 7.866 2.924 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 7 . 667 . 1 1 1 ILE HG23 H 11.801 6.169 2.643 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 7 . 668 . 1 1 1 ILE N N 11.677 4.309 4.237 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 7 . 669 . 1 1 1 ILE O O 9.626 5.940 2.964 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 7 . 670 . 1 1 2 . C C 6.637 4.725 4.159 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 7 . 671 . 1 1 2 . CA C 7.344 6.010 4.421 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 7 . 672 . 1 1 2 . CB C 6.762 7.181 4.130 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 7 . 673 . 1 1 2 . CG C 7.411 8.547 4.363 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 7 . 674 . 1 1 2 . H H 8.640 5.630 5.938 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 7 . 675 . 1 1 2 . HB H 5.771 7.160 3.703 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 7 . 676 . 1 1 2 . HG1 H 6.864 9.303 3.819 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 7 . 677 . 1 1 2 . HG2 H 8.435 8.524 4.017 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 7 . 678 . 1 1 2 . HG3 H 7.393 8.779 5.418 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 7 . 679 . 1 1 2 . N N 8.599 5.775 4.971 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 7 . 680 . 1 1 2 . O O 5.729 4.320 4.886 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 7 . 681 . 1 1 3 DAL C C 6.058 2.004 4.038 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 7 . 682 . 1 1 3 DAL CA C 6.403 2.766 2.762 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 7 . 683 . 1 1 3 DAL CB C 5.130 3.015 1.953 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 7 . 684 . 1 1 3 DAL H H 7.771 4.358 2.504 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 7 . 685 . 1 1 3 DAL HA H 7.080 2.168 2.171 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 7 . 686 . 1 1 3 DAL HB1 H 4.779 2.082 1.537 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 7 . 687 . 1 1 3 DAL HB2 H 5.342 3.708 1.152 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 7 . 688 . 1 1 3 DAL N N 7.050 4.035 3.081 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 7 . 689 . 1 1 3 DAL O O 5.161 1.161 4.044 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 7 . 690 . 1 1 4 ILE C C 5.212 2.103 6.995 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 7 . 691 . 1 1 4 ILE CA C 6.534 1.643 6.390 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 7 . 692 . 1 1 4 ILE CB C 7.674 1.947 7.363 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 7 . 693 . 1 1 4 ILE CD1 C 10.034 2.730 7.110 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 7 . 694 . 1 1 4 ILE CG1 C 9.016 1.669 6.684 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 7 . 695 . 1 1 4 ILE CG2 C 7.538 1.060 8.602 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 7 . 696 . 1 1 4 ILE H H 7.478 2.986 5.051 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 7 . 697 . 1 1 4 ILE HA H 6.492 0.576 6.227 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 7 . 698 . 1 1 4 ILE HB H 7.626 2.986 7.659 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 7 . 699 . 1 1 4 ILE HD11 H 10.968 2.560 6.595 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 7 . 700 . 1 1 4 ILE HD12 H 10.194 2.666 8.177 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 7 . 701 . 1 1 4 ILE HD13 H 9.657 3.711 6.861 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 7 . 702 . 1 1 4 ILE HG12 H 9.372 0.692 6.975 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 7 . 703 . 1 1 4 ILE HG13 H 8.893 1.704 5.612 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 7 . 704 . 1 1 4 ILE HG21 H 8.298 1.325 9.321 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 7 . 705 . 1 1 4 ILE HG22 H 7.656 0.024 8.318 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 7 . 706 . 1 1 4 ILE HG23 H 6.561 1.202 9.041 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 7 . 707 . 1 1 4 ILE N N 6.775 2.307 5.115 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 7 . 708 . 1 1 4 ILE O O 4.921 3.297 7.040 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 7 . 709 . 1 1 5 DHA C C 2.293 2.135 7.037 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 7 . 710 . 1 1 5 DHA CA C 3.179 1.481 8.040 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 7 . 711 . 1 1 5 DHA CB C 2.762 1.291 9.299 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 7 . 712 . 1 1 5 DHA H H 4.628 0.188 7.439 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 7 . 713 . 1 1 5 DHA HB1 H 3.411 0.816 10.020 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 7 . 714 . 1 1 5 DHA HB2 H 1.775 1.612 9.597 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 7 . 715 . 1 1 5 DHA N N 4.401 1.141 7.470 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 7 . 716 . 1 1 5 DHA O O 1.488 1.494 6.362 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 7 . 717 . 1 1 6 LEU C C 2.436 5.024 5.014 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 7 . 718 . 1 1 6 LEU CA C 1.584 4.176 5.954 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 7 . 719 . 1 1 6 LEU CB C 0.592 5.076 6.691 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 7 . 720 . 1 1 6 LEU CD1 C -1.334 5.091 8.282 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 7 . 721 . 1 1 6 LEU CD2 C -1.377 3.595 6.281 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 7 . 722 . 1 1 6 LEU CG C -0.484 4.217 7.357 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 7 . 723 . 1 1 6 LEU H H 3.063 3.979 7.454 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 7 . 724 . 1 1 6 LEU HA H 1.033 3.453 5.371 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 7 . 725 . 1 1 6 LEU HB2 H 1.115 5.646 7.445 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 7 . 726 . 1 1 6 LEU HB3 H 0.127 5.750 5.989 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 7 . 727 . 1 1 6 LEU HD11 H -2.322 4.665 8.372 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 7 . 728 . 1 1 6 LEU HD12 H -1.408 6.087 7.868 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 7 . 729 . 1 1 6 LEU HD13 H -0.872 5.139 9.256 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 7 . 730 . 1 1 6 LEU HD21 H -1.190 2.532 6.229 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 7 . 731 . 1 1 6 LEU HD22 H -1.156 4.045 5.324 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 7 . 732 . 1 1 6 LEU HD23 H -2.414 3.766 6.529 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 7 . 733 . 1 1 6 LEU HG H -0.013 3.434 7.935 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 7 . 734 . 1 1 6 LEU N N 2.424 3.469 6.915 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 7 . 735 . 1 1 6 LEU O O 3.560 5.398 5.346 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 7 . 736 . 1 1 7 CYS C C 1.636 6.635 1.784 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 7 . 737 . 1 1 7 CYS CA C 2.599 6.136 2.858 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 7 . 738 . 1 1 7 CYS CB C 3.714 5.316 2.205 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 7 . 739 . 1 1 7 CYS H H 0.985 5.002 3.635 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 7 . 740 . 1 1 7 CYS HA H 3.037 6.986 3.357 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 7 . 741 . 1 1 7 CYS HB2 H 3.485 5.163 1.161 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 7 . 742 . 1 1 7 CYS HB3 H 4.649 5.849 2.293 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 7 . 743 . 1 1 7 CYS N N 1.887 5.326 3.842 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 7 . 744 . 1 1 7 CYS O O 1.917 7.615 1.093 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 7 . 745 . 1 1 7 CYS SG S 3.854 3.712 3.031 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 7 . 746 . 1 1 8 ALA C C -1.358 7.483 1.177 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 7 . 747 . 1 1 8 ALA CA C -0.496 6.337 0.659 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 7 . 748 . 1 1 8 ALA CB C -1.386 5.138 0.325 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 7 . 749 . 1 1 8 ALA H H 0.333 5.183 2.231 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 7 . 750 . 1 1 8 ALA HA H 0.009 6.657 -0.240 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 7 . 751 . 1 1 8 ALA HB1 H -1.887 5.312 -0.616 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 7 . 752 . 1 1 8 ALA HB2 H -2.121 5.007 1.105 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 7 . 753 . 1 1 8 ALA HB3 H -0.777 4.249 0.250 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 7 . 754 . 1 1 8 ALA N N 0.502 5.955 1.652 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 7 . 755 . 1 1 8 ALA O O -2.088 7.266 2.130 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 7 . 756 . 1 1 8 ALA OXT O -1.276 8.562 0.614 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 8 . 757 . 1 1 1 ILE C C 10.234 0.210 2.460 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 8 . 758 . 1 1 1 ILE CA C 10.583 -1.220 2.858 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 8 . 759 . 1 1 1 ILE CB C 11.546 -1.823 1.836 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 8 . 760 . 1 1 1 ILE CD1 C 14.023 -2.102 2.028 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 8 . 761 . 1 1 1 ILE CG1 C 12.888 -1.086 1.904 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 8 . 762 . 1 1 1 ILE CG2 C 10.956 -1.679 0.431 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 8 . 763 . 1 1 1 ILE H1 H 9.560 -2.992 3.246 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 8 . 764 . 1 1 1 ILE H2 H 8.926 -2.096 1.950 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 8 . 765 . 1 1 1 ILE H3 H 8.653 -1.592 3.550 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 8 . 766 . 1 1 1 ILE HA H 11.047 -1.219 3.833 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 8 . 767 . 1 1 1 ILE HB H 11.697 -2.870 2.057 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 8 . 768 . 1 1 1 ILE HD11 H 14.079 -2.458 3.046 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 8 . 769 . 1 1 1 ILE HD12 H 14.958 -1.633 1.759 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 8 . 770 . 1 1 1 ILE HD13 H 13.836 -2.935 1.365 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 8 . 771 . 1 1 1 ILE HG12 H 13.023 -0.500 1.006 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 8 . 772 . 1 1 1 ILE HG13 H 12.897 -0.433 2.765 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 8 . 773 . 1 1 1 ILE HG21 H 11.446 -0.866 -0.084 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 8 . 774 . 1 1 1 ILE HG22 H 9.898 -1.474 0.504 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 8 . 775 . 1 1 1 ILE HG23 H 11.108 -2.596 -0.119 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 8 . 776 . 1 1 1 ILE N N 9.337 -2.037 2.904 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 8 . 777 . 1 1 1 ILE O O 10.959 1.151 2.786 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 8 . 778 . 1 1 2 . C C 7.925 2.317 2.409 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 8 . 779 . 1 1 2 . CA C 8.724 1.650 1.344 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 8 . 780 . 1 1 2 . CB C 8.985 2.280 0.189 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 8 . 781 . 1 1 2 . CG C 9.799 1.677 -0.958 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 8 . 782 . 1 1 2 . H H 8.528 -0.367 1.482 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 8 . 783 . 1 1 2 . HB H 8.596 3.279 0.061 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 8 . 784 . 1 1 2 . HG1 H 10.849 1.878 -0.797 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 8 . 785 . 1 1 2 . HG2 H 9.487 2.119 -1.892 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 8 . 786 . 1 1 2 . HG3 H 9.638 0.610 -0.992 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 8 . 787 . 1 1 2 . N N 9.108 0.377 1.745 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 8 . 788 . 1 1 2 . O O 8.451 2.807 3.407 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 8 . 789 . 1 1 3 DAL C C 5.685 2.156 4.485 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 8 . 790 . 1 1 3 DAL CA C 5.748 2.993 3.212 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 8 . 791 . 1 1 3 DAL CB C 6.289 4.385 3.544 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 8 . 792 . 1 1 3 DAL H H 6.178 1.963 1.416 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 8 . 793 . 1 1 3 DAL HA H 4.750 3.094 2.811 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 8 . 794 . 1 1 3 DAL HB1 H 6.671 4.846 2.645 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 8 . 795 . 1 1 3 DAL HB2 H 7.084 4.298 4.269 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 8 . 796 . 1 1 3 DAL N N 6.595 2.353 2.212 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 8 . 797 . 1 1 3 DAL O O 4.638 1.605 4.826 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 8 . 798 . 1 1 4 ILE C C 5.744 1.749 7.367 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 8 . 799 . 1 1 4 ILE CA C 6.864 1.306 6.430 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 8 . 800 . 1 1 4 ILE CB C 8.221 1.508 7.108 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 8 . 801 . 1 1 4 ILE CD1 C 10.492 2.074 6.227 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 8 . 802 . 1 1 4 ILE CG1 C 9.336 1.075 6.152 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 8 . 803 . 1 1 4 ILE CG2 C 8.290 0.663 8.381 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 8 . 804 . 1 1 4 ILE H H 7.611 2.536 4.873 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 8 . 805 . 1 1 4 ILE HA H 6.738 0.258 6.203 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 8 . 806 . 1 1 4 ILE HB H 8.346 2.551 7.361 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 8 . 807 . 1 1 4 ILE HD11 H 10.138 3.055 5.947 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 8 . 808 . 1 1 4 ILE HD12 H 11.276 1.768 5.552 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 8 . 809 . 1 1 4 ILE HD13 H 10.875 2.104 7.236 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 8 . 810 . 1 1 4 ILE HG12 H 9.688 0.093 6.433 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 8 . 811 . 1 1 4 ILE HG13 H 8.953 1.044 5.143 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 8 . 812 . 1 1 4 ILE HG21 H 8.498 -0.365 8.120 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 8 . 813 . 1 1 4 ILE HG22 H 7.346 0.718 8.902 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 8 . 814 . 1 1 4 ILE HG23 H 9.077 1.037 9.020 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 8 . 815 . 1 1 4 ILE N N 6.809 2.071 5.189 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 8 . 816 . 1 1 4 ILE O O 5.974 2.484 8.329 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 8 . 817 . 1 1 5 DHA C C 2.337 2.224 7.007 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 8 . 818 . 1 1 5 DHA CA C 3.425 1.667 7.860 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 8 . 819 . 1 1 5 DHA CB C 3.279 1.570 9.188 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 8 . 820 . 1 1 5 DHA H H 4.325 0.727 6.301 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 8 . 821 . 1 1 5 DHA HB1 H 4.076 1.164 9.792 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 8 . 822 . 1 1 5 DHA HB2 H 2.364 1.898 9.659 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 8 . 823 . 1 1 5 DHA N N 4.510 1.304 7.071 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 8 . 824 . 1 1 5 DHA O O 1.340 1.567 6.708 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 8 . 825 . 1 1 6 LEU C C 2.086 5.267 4.946 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 8 . 826 . 1 1 6 LEU CA C 1.501 4.090 5.721 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 8 . 827 . 1 1 6 LEU CB C 0.315 4.567 6.564 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 8 . 828 . 1 1 6 LEU CD1 C -2.164 4.439 6.854 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 8 . 829 . 1 1 6 LEU CD2 C -1.183 4.701 4.571 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 8 . 830 . 1 1 6 LEU CG C -0.991 4.062 5.948 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 8 . 831 . 1 1 6 LEU H H 3.315 4.004 6.804 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 8 . 832 . 1 1 6 LEU HA H 1.154 3.350 5.016 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 8 . 833 . 1 1 6 LEU HB2 H 0.412 4.184 7.570 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 8 . 834 . 1 1 6 LEU HB3 H 0.305 5.646 6.591 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 8 . 835 . 1 1 6 LEU HD11 H -3.075 4.015 6.459 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 8 . 836 . 1 1 6 LEU HD12 H -2.257 5.514 6.894 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 8 . 837 . 1 1 6 LEU HD13 H -1.989 4.056 7.849 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 8 . 838 . 1 1 6 LEU HD21 H -0.228 4.778 4.073 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 8 . 839 . 1 1 6 LEU HD22 H -1.610 5.685 4.687 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 8 . 840 . 1 1 6 LEU HD23 H -1.848 4.088 3.980 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 8 . 841 . 1 1 6 LEU HG H -0.948 2.987 5.846 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 8 . 842 . 1 1 6 LEU N N 2.518 3.484 6.572 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 8 . 843 . 1 1 6 LEU O O 2.411 6.304 5.525 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 8 . 844 . 1 1 7 CYS C C 2.123 6.093 1.399 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 8 . 845 . 1 1 7 CYS CA C 2.762 6.146 2.783 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 8 . 846 . 1 1 7 CYS CB C 4.279 5.980 2.654 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 8 . 847 . 1 1 7 CYS H H 1.939 4.247 3.232 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 8 . 848 . 1 1 7 CYS HA H 2.553 7.106 3.230 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 8 . 849 . 1 1 7 CYS HB2 H 4.498 5.257 1.881 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 8 . 850 . 1 1 7 CYS HB3 H 4.723 6.930 2.396 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 8 . 851 . 1 1 7 CYS N N 2.216 5.095 3.635 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 8 . 852 . 1 1 7 CYS O O 1.876 7.126 0.777 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 8 . 853 . 1 1 7 CYS SG S 4.958 5.404 4.229 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 8 . 854 . 1 1 8 ALA C C -0.198 5.208 -0.376 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 8 . 855 . 1 1 8 ALA CA C 1.241 4.704 -0.389 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 8 . 856 . 1 1 8 ALA CB C 1.262 3.226 -0.784 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 8 . 857 . 1 1 8 ALA H H 2.072 4.091 1.463 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 8 . 858 . 1 1 8 ALA HA H 1.804 5.267 -1.118 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 8 . 859 . 1 1 8 ALA HB1 H 0.854 3.113 -1.778 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 8 . 860 . 1 1 8 ALA HB2 H 0.667 2.657 -0.084 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 8 . 861 . 1 1 8 ALA HB3 H 2.279 2.862 -0.769 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 8 . 862 . 1 1 8 ALA N N 1.855 4.880 0.922 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 8 . 863 . 1 1 8 ALA O O -1.043 4.543 -0.953 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 8 . 864 . 1 1 8 ALA OXT O -0.435 6.251 0.212 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 9 . 865 . 1 1 1 ILE C C 10.297 3.710 5.087 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 9 . 866 . 1 1 1 ILE CA C 11.383 2.981 5.870 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 9 . 867 . 1 1 1 ILE CB C 12.642 3.847 5.942 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 9 . 868 . 1 1 1 ILE CD1 C 13.285 4.773 8.175 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 9 . 869 . 1 1 1 ILE CG1 C 12.418 4.992 6.934 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 9 . 870 . 1 1 1 ILE CG2 C 12.944 4.424 4.557 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 9 . 871 . 1 1 1 ILE H1 H 10.849 1.314 4.743 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 9 . 872 . 1 1 1 ILE H2 H 12.066 1.014 5.889 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 9 . 873 . 1 1 1 ILE H3 H 12.429 1.860 4.461 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 9 . 874 . 1 1 1 ILE HA H 11.029 2.778 6.871 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 9 . 875 . 1 1 1 ILE HB H 13.476 3.242 6.269 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 9 . 876 . 1 1 1 ILE HD11 H 14.294 5.102 7.972 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 9 . 877 . 1 1 1 ILE HD12 H 13.293 3.722 8.427 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 9 . 878 . 1 1 1 ILE HD13 H 12.881 5.338 9.002 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 9 . 879 . 1 1 1 ILE HG12 H 12.686 5.930 6.468 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 9 . 880 . 1 1 1 ILE HG13 H 11.379 5.019 7.225 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 9 . 881 . 1 1 1 ILE HG21 H 13.974 4.747 4.518 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 9 . 882 . 1 1 1 ILE HG22 H 12.296 5.267 4.370 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 9 . 883 . 1 1 1 ILE HG23 H 12.776 3.666 3.807 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 9 . 884 . 1 1 1 ILE N N 11.706 1.695 5.190 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 9 . 885 . 1 1 1 ILE O O 10.129 3.492 3.887 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 9 . 886 . 1 1 2 . C C 7.345 4.428 4.917 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 9 . 887 . 1 1 2 . CA C 8.537 5.295 5.131 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 9 . 888 . 1 1 2 . CB C 8.537 6.570 4.721 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 9 . 889 . 1 1 2 . CG C 9.712 7.533 4.898 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 9 . 890 . 1 1 2 . H H 9.675 4.769 6.729 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 9 . 891 . 1 1 2 . HB H 7.648 6.944 4.234 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 9 . 892 . 1 1 2 . HG1 H 9.988 7.578 5.942 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 9 . 893 . 1 1 2 . HG2 H 9.426 8.518 4.558 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 9 . 894 . 1 1 2 . HG3 H 10.554 7.183 4.319 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 9 . 895 . 1 1 2 . N N 9.547 4.590 5.774 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 9 . 896 . 1 1 2 . O O 6.529 4.209 5.811 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 9 . 897 . 1 1 3 DAL C C 5.956 1.940 4.457 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 9 . 898 . 1 1 3 DAL CA C 6.072 3.039 3.405 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 9 . 899 . 1 1 3 DAL CB C 4.786 3.869 3.383 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 9 . 900 . 1 1 3 DAL H H 7.866 4.073 2.974 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 9 . 901 . 1 1 3 DAL HA H 6.207 2.582 2.436 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 9 . 902 . 1 1 3 DAL HB1 H 4.594 4.256 4.372 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 9 . 903 . 1 1 3 DAL HB2 H 3.961 3.246 3.072 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 9 . 904 . 1 1 3 DAL N N 7.215 3.899 3.687 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 9 . 905 . 1 1 3 DAL O O 5.007 1.156 4.449 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 9 . 906 . 1 1 4 ILE C C 5.535 0.781 7.046 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 9 . 907 . 1 1 4 ILE CA C 6.924 0.886 6.419 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 9 . 908 . 1 1 4 ILE CB C 7.975 1.246 7.485 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 9 . 909 . 1 1 4 ILE CD1 C 8.110 -1.170 8.113 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 9 . 910 . 1 1 4 ILE CG1 C 8.918 0.058 7.691 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 9 . 911 . 1 1 4 ILE CG2 C 7.297 1.589 8.816 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 9 . 912 . 1 1 4 ILE H H 7.658 2.543 5.322 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 9 . 913 . 1 1 4 ILE HA H 7.181 -0.070 5.987 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 9 . 914 . 1 1 4 ILE HB H 8.545 2.100 7.147 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 9 . 915 . 1 1 4 ILE HD11 H 7.860 -1.754 7.240 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 9 . 916 . 1 1 4 ILE HD12 H 7.204 -0.852 8.606 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 9 . 917 . 1 1 4 ILE HD13 H 8.697 -1.771 8.792 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 9 . 918 . 1 1 4 ILE HG12 H 9.439 -0.151 6.768 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 9 . 919 . 1 1 4 ILE HG13 H 9.636 0.297 8.463 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 9 . 920 . 1 1 4 ILE HG21 H 6.597 2.397 8.667 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 9 . 921 . 1 1 4 ILE HG22 H 8.046 1.888 9.535 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 9 . 922 . 1 1 4 ILE HG23 H 6.772 0.721 9.187 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 9 . 923 . 1 1 4 ILE N N 6.927 1.892 5.364 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 9 . 924 . 1 1 4 ILE O O 5.097 -0.302 7.433 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 9 . 925 . 1 1 5 DHA C C 2.549 2.366 6.706 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 9 . 926 . 1 1 5 DHA CA C 3.561 1.915 7.700 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 9 . 927 . 1 1 5 DHA CB C 3.192 1.566 8.941 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 9 . 928 . 1 1 5 DHA H H 5.178 2.789 6.836 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 9 . 929 . 1 1 5 DHA HB1 H 3.933 1.240 9.656 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 9 . 930 . 1 1 5 DHA HB2 H 2.152 1.611 9.230 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 9 . 931 . 1 1 5 DHA N N 4.834 1.925 7.144 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 9 . 932 . 1 1 5 DHA O O 2.003 1.583 5.930 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 9 . 933 . 1 1 6 LEU C C 1.883 5.331 4.933 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 9 . 934 . 1 1 6 LEU CA C 1.288 4.194 5.757 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 9 . 935 . 1 1 6 LEU CB C 0.053 4.698 6.505 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 9 . 936 . 1 1 6 LEU CD1 C -0.601 6.104 8.463 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 9 . 937 . 1 1 6 LEU CD2 C 0.558 3.921 8.824 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 9 . 938 . 1 1 6 LEU CG C 0.455 5.145 7.911 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 9 . 939 . 1 1 6 LEU H H 2.706 4.306 7.323 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 9 . 940 . 1 1 6 LEU HA H 0.993 3.397 5.092 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 9 . 941 . 1 1 6 LEU HB2 H -0.377 5.532 5.970 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 9 . 942 . 1 1 6 LEU HB3 H -0.674 3.903 6.576 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 9 . 943 . 1 1 6 LEU HD11 H -0.654 6.003 9.538 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 9 . 944 . 1 1 6 LEU HD12 H -1.563 5.870 8.032 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 9 . 945 . 1 1 6 LEU HD13 H -0.332 7.119 8.211 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 9 . 946 . 1 1 6 LEU HD21 H -0.259 3.928 9.531 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 9 . 947 . 1 1 6 LEU HD22 H 1.496 3.949 9.359 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 9 . 948 . 1 1 6 LEU HD23 H 0.510 3.022 8.228 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 9 . 949 . 1 1 6 LEU HG H 1.410 5.647 7.870 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 9 . 950 . 1 1 6 LEU N N 2.270 3.682 6.705 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 9 . 951 . 1 1 6 LEU O O 2.306 6.351 5.477 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 9 . 952 . 1 1 7 CYS C C 2.349 5.718 1.269 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 9 . 953 . 1 1 7 CYS CA C 2.454 6.167 2.724 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 9 . 954 . 1 1 7 CYS CB C 3.919 6.440 3.071 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 9 . 955 . 1 1 7 CYS H H 1.557 4.316 3.238 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 9 . 956 . 1 1 7 CYS HA H 1.891 7.079 2.850 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 9 . 957 . 1 1 7 CYS HB2 H 4.181 7.439 2.756 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 9 . 958 . 1 1 7 CYS HB3 H 4.060 6.352 4.138 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 9 . 959 . 1 1 7 CYS N N 1.911 5.149 3.616 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 9 . 960 . 1 1 7 CYS O O 2.674 6.473 0.353 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 9 . 961 . 1 1 7 CYS SG S 4.978 5.243 2.219 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 9 . 962 . 1 1 8 ALA C C 0.283 3.928 -0.699 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 9 . 963 . 1 1 8 ALA CA C 1.751 3.951 -0.284 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 9 . 964 . 1 1 8 ALA CB C 2.322 2.534 -0.345 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 9 . 965 . 1 1 8 ALA H H 1.649 3.930 1.834 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 9 . 966 . 1 1 8 ALA HA H 2.300 4.578 -0.970 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 9 . 967 . 1 1 8 ALA HB1 H 1.912 2.017 -1.201 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 9 . 968 . 1 1 8 ALA HB2 H 2.061 2.000 0.556 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 9 . 969 . 1 1 8 ALA HB3 H 3.397 2.582 -0.437 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 9 . 970 . 1 1 8 ALA N N 1.894 4.487 1.065 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 9 . 971 . 1 1 8 ALA O O -0.388 4.926 -0.488 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 9 . 972 . 1 1 8 ALA OXT O -0.148 2.915 -1.223 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 10 . 973 . 1 1 1 ILE C C 11.215 3.004 5.243 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 10 . 974 . 1 1 1 ILE CA C 12.027 1.714 5.225 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 10 . 975 . 1 1 1 ILE CB C 13.453 1.999 4.748 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 10 . 976 . 1 1 1 ILE CD1 C 15.367 1.109 3.406 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 10 . 977 . 1 1 1 ILE CG1 C 13.907 0.882 3.806 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 10 . 978 . 1 1 1 ILE CG2 C 14.392 2.062 5.954 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 10 . 979 . 1 1 1 ILE H1 H 11.863 -0.181 4.376 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 10 . 980 . 1 1 1 ILE H2 H 11.453 1.088 3.323 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 10 . 981 . 1 1 1 ILE H3 H 10.381 0.625 4.558 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 10 . 982 . 1 1 1 ILE HA H 12.059 1.297 6.221 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 10 . 983 . 1 1 1 ILE HB H 13.475 2.945 4.226 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 10 . 984 . 1 1 1 ILE HD11 H 15.429 1.244 2.336 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 10 . 985 . 1 1 1 ILE HD12 H 15.958 0.254 3.696 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 10 . 986 . 1 1 1 ILE HD13 H 15.745 1.993 3.901 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 10 . 987 . 1 1 1 ILE HG12 H 13.815 -0.070 4.308 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 10 . 988 . 1 1 1 ILE HG13 H 13.290 0.884 2.921 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 10 . 989 . 1 1 1 ILE HG21 H 14.549 1.066 6.340 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 10 . 990 . 1 1 1 ILE HG22 H 13.952 2.681 6.721 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 10 . 991 . 1 1 1 ILE HG23 H 15.339 2.483 5.650 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 10 . 992 . 1 1 1 ILE N N 11.383 0.738 4.301 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 10 . 993 . 1 1 1 ILE O O 11.544 3.967 4.551 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 10 . 994 . 1 1 2 . C C 7.986 3.894 5.572 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 10 . 995 . 1 1 2 . CA C 9.345 4.165 6.117 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 10 . 996 . 1 1 2 . CB C 9.663 5.377 6.591 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 10 . 997 . 1 1 2 . CG C 11.031 5.748 7.168 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 10 . 998 . 1 1 2 . H H 9.870 2.262 6.601 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 10 . 999 . 1 1 2 . HB H 8.904 6.145 6.560 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 10 . 1000 . 1 1 2 . HG1 H 11.676 4.881 7.149 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 10 . 1001 . 1 1 2 . HG2 H 10.911 6.084 8.188 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 10 . 1002 . 1 1 2 . HG3 H 11.470 6.537 6.578 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 10 . 1003 . 1 1 2 . N N 10.137 3.026 6.047 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 10 . 1004 . 1 1 2 . O O 7.003 3.770 6.302 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 10 . 1005 . 1 1 3 DAL C C 5.900 2.379 4.360 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 10 . 1006 . 1 1 3 DAL CA C 6.599 3.521 3.631 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 10 . 1007 . 1 1 3 DAL CB C 5.727 4.776 3.685 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 10 . 1008 . 1 1 3 DAL H H 8.680 3.885 3.653 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 10 . 1009 . 1 1 3 DAL HA H 6.743 3.240 2.598 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 10 . 1010 . 1 1 3 DAL HB1 H 6.357 5.648 3.777 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 10 . 1011 . 1 1 3 DAL HB2 H 5.064 4.719 4.535 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 10 . 1012 . 1 1 3 DAL N N 7.898 3.789 4.234 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 10 . 1013 . 1 1 3 DAL O O 4.693 2.183 4.215 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 10 . 1014 . 1 1 4 ILE C C 4.831 0.923 6.609 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 10 . 1015 . 1 1 4 ILE CA C 6.112 0.508 5.892 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 10 . 1016 . 1 1 4 ILE CB C 7.133 0.006 6.914 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 10 . 1017 . 1 1 4 ILE CD1 C 8.187 -1.386 5.124 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 10 . 1018 . 1 1 4 ILE CG1 C 8.446 -0.328 6.198 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 10 . 1019 . 1 1 4 ILE CG2 C 6.595 -1.248 7.604 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 10 . 1020 . 1 1 4 ILE H H 7.623 1.833 5.220 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 10 . 1021 . 1 1 4 ILE HA H 5.884 -0.294 5.206 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 10 . 1022 . 1 1 4 ILE HB H 7.310 0.776 7.653 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 10 . 1023 . 1 1 4 ILE HD11 H 9.119 -1.866 4.861 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 10 . 1024 . 1 1 4 ILE HD12 H 7.765 -0.915 4.248 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 10 . 1025 . 1 1 4 ILE HD13 H 7.496 -2.124 5.503 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 10 . 1026 . 1 1 4 ILE HG12 H 8.841 0.566 5.737 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 10 . 1027 . 1 1 4 ILE HG13 H 9.159 -0.710 6.913 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 10 . 1028 . 1 1 4 ILE HG21 H 5.719 -1.599 7.080 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 10 . 1029 . 1 1 4 ILE HG22 H 6.335 -1.014 8.626 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 10 . 1030 . 1 1 4 ILE HG23 H 7.353 -2.018 7.594 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 10 . 1031 . 1 1 4 ILE N N 6.666 1.629 5.144 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 10 . 1032 . 1 1 4 ILE O O 3.760 0.371 6.360 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 10 . 1033 . 1 1 5 DHA C C 2.658 2.492 7.285 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 10 . 1034 . 1 1 5 DHA CA C 3.818 2.347 8.207 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 10 . 1035 . 1 1 5 DHA CB C 3.692 2.623 9.512 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 10 . 1036 . 1 1 5 DHA H H 5.790 2.358 7.718 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 10 . 1037 . 1 1 5 DHA HB1 H 4.539 2.516 10.174 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 10 . 1038 . 1 1 5 DHA HB2 H 2.744 2.956 9.907 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 10 . 1039 . 1 1 5 DHA N N 4.941 1.912 7.514 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 10 . 1040 . 1 1 5 DHA O O 1.806 1.612 7.163 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 10 . 1041 . 1 1 6 LEU C C 1.747 5.089 4.808 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 10 . 1042 . 1 1 6 LEU CA C 1.491 3.855 5.667 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 10 . 1043 . 1 1 6 LEU CB C 0.185 4.025 6.450 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 10 . 1044 . 1 1 6 LEU CD1 C -0.960 5.758 5.029 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 10 . 1045 . 1 1 6 LEU CD2 C -0.877 3.379 4.270 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 10 . 1046 . 1 1 6 LEU CG C -0.984 4.297 5.490 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 10 . 1047 . 1 1 6 LEU H H 3.277 4.343 6.687 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 10 . 1048 . 1 1 6 LEU HA H 1.407 2.992 5.025 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 10 . 1049 . 1 1 6 LEU HB2 H -0.015 3.122 7.008 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 10 . 1050 . 1 1 6 LEU HB3 H 0.285 4.852 7.137 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 10 . 1051 . 1 1 6 LEU HD11 H -0.457 5.826 4.076 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 10 . 1052 . 1 1 6 LEU HD12 H -0.439 6.361 5.756 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 10 . 1053 . 1 1 6 LEU HD13 H -1.973 6.117 4.925 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 10 . 1054 . 1 1 6 LEU HD21 H -1.816 3.380 3.736 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 10 . 1055 . 1 1 6 LEU HD22 H -0.648 2.374 4.593 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 10 . 1056 . 1 1 6 LEU HD23 H -0.093 3.735 3.617 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 10 . 1057 . 1 1 6 LEU HG H -1.915 4.102 6.003 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 10 . 1058 . 1 1 6 LEU N N 2.599 3.643 6.591 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 10 . 1059 . 1 1 6 LEU O O 1.706 6.217 5.297 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 10 . 1060 . 1 1 7 CYS C C 1.879 5.592 1.185 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 10 . 1061 . 1 1 7 CYS CA C 2.278 5.971 2.608 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 10 . 1062 . 1 1 7 CYS CB C 3.763 6.336 2.643 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 10 . 1063 . 1 1 7 CYS H H 2.038 3.947 3.190 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 10 . 1064 . 1 1 7 CYS HA H 1.700 6.829 2.918 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 10 . 1065 . 1 1 7 CYS HB2 H 3.950 7.147 1.953 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 10 . 1066 . 1 1 7 CYS HB3 H 4.035 6.645 3.642 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 10 . 1067 . 1 1 7 CYS N N 2.015 4.868 3.525 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 10 . 1068 . 1 1 7 CYS O O 1.221 6.363 0.489 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 10 . 1069 . 1 1 7 CYS SG S 4.750 4.897 2.165 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 10 . 1070 . 1 1 8 ALA C C 1.359 2.530 -0.529 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 10 . 1071 . 1 1 8 ALA CA C 1.965 3.928 -0.581 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 10 . 1072 . 1 1 8 ALA CB C 3.229 3.906 -1.442 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 10 . 1073 . 1 1 8 ALA H H 2.808 3.827 1.360 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 10 . 1074 . 1 1 8 ALA HA H 1.251 4.603 -1.029 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 10 . 1075 . 1 1 8 ALA HB1 H 3.393 4.886 -1.867 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 10 . 1076 . 1 1 8 ALA HB2 H 3.112 3.184 -2.237 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 10 . 1077 . 1 1 8 ALA HB3 H 4.077 3.633 -0.830 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 10 . 1078 . 1 1 8 ALA N N 2.285 4.399 0.761 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 10 . 1079 . 1 1 8 ALA O O 1.034 2.006 -1.582 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 10 . 1080 . 1 1 8 ALA OXT O 1.228 2.003 0.564 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 11 . 1081 . 1 1 1 ILE C C 10.597 4.730 6.488 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 11 . 1082 . 1 1 1 ILE CA C 11.598 3.779 7.137 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 11 . 1083 . 1 1 1 ILE CB C 12.980 4.435 7.196 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 11 . 1084 . 1 1 1 ILE CD1 C 14.828 5.299 5.753 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 11 . 1085 . 1 1 1 ILE CG1 C 13.666 4.307 5.834 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 11 . 1086 . 1 1 1 ILE CG2 C 13.832 3.741 8.260 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 11 . 1087 . 1 1 1 ILE H1 H 10.721 2.208 6.089 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 11 . 1088 . 1 1 1 ILE H2 H 12.157 1.787 6.895 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 11 . 1089 . 1 1 1 ILE H3 H 12.217 2.703 5.464 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 11 . 1090 . 1 1 1 ILE HA H 11.269 3.543 8.139 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 11 . 1091 . 1 1 1 ILE HB H 12.870 5.480 7.449 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 11 . 1092 . 1 1 1 ILE HD11 H 15.692 4.884 6.254 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 11 . 1093 . 1 1 1 ILE HD12 H 14.545 6.224 6.232 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 11 . 1094 . 1 1 1 ILE HD13 H 15.068 5.488 4.718 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 11 . 1095 . 1 1 1 ILE HG12 H 14.042 3.300 5.715 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 11 . 1096 . 1 1 1 ILE HG13 H 12.956 4.522 5.051 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 11 . 1097 . 1 1 1 ILE HG21 H 13.570 2.695 8.306 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 11 . 1098 . 1 1 1 ILE HG22 H 13.652 4.200 9.221 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 11 . 1099 . 1 1 1 ILE HG23 H 14.876 3.840 8.004 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 11 . 1100 . 1 1 1 ILE N N 11.679 2.524 6.335 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 11 . 1101 . 1 1 1 ILE O O 10.443 5.872 6.919 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 11 . 1102 . 1 1 2 . C C 7.621 4.451 4.830 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 11 . 1103 . 1 1 2 . CA C 8.979 5.064 4.790 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 11 . 1104 . 1 1 2 . CB C 9.178 6.245 4.187 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 11 . 1105 . 1 1 2 . CG C 10.534 6.948 4.098 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 11 . 1106 . 1 1 2 . H H 10.025 3.346 5.085 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 11 . 1107 . 1 1 2 . HB H 8.327 6.732 3.737 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 11 . 1108 . 1 1 2 . HG1 H 10.391 7.965 3.763 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 11 . 1109 . 1 1 2 . HG2 H 11.166 6.424 3.397 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 11 . 1110 . 1 1 2 . HG3 H 11.003 6.952 5.071 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 11 . 1111 . 1 1 2 . N N 9.907 4.253 5.435 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 11 . 1112 . 1 1 2 . O O 6.926 4.470 5.844 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 11 . 1113 . 1 1 3 DAL C C 5.804 2.067 4.589 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 11 . 1114 . 1 1 3 DAL CA C 5.877 3.260 3.643 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 11 . 1115 . 1 1 3 DAL CB C 4.805 4.277 4.037 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 11 . 1116 . 1 1 3 DAL H H 7.754 3.867 2.878 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 11 . 1117 . 1 1 3 DAL HA H 5.682 2.922 2.637 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 11 . 1118 . 1 1 3 DAL HB1 H 4.846 4.450 5.102 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 11 . 1119 . 1 1 3 DAL HB2 H 3.831 3.892 3.772 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 11 . 1120 . 1 1 3 DAL N N 7.200 3.879 3.686 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 11 . 1121 . 1 1 3 DAL O O 4.809 1.343 4.608 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 11 . 1122 . 1 1 4 ILE C C 5.551 0.706 7.083 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 11 . 1123 . 1 1 4 ILE CA C 6.875 0.761 6.321 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 11 . 1124 . 1 1 4 ILE CB C 8.056 0.928 7.293 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 11 . 1125 . 1 1 4 ILE CD1 C 8.102 -1.499 7.904 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 11 . 1126 . 1 1 4 ILE CG1 C 8.903 -0.350 7.288 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 11 . 1127 . 1 1 4 ILE CG2 C 7.551 1.193 8.716 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 11 . 1128 . 1 1 4 ILE H H 7.618 2.479 5.326 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 11 . 1129 . 1 1 4 ILE HA H 7.000 -0.161 5.773 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 11 . 1130 . 1 1 4 ILE HB H 8.665 1.760 6.971 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 11 . 1131 . 1 1 4 ILE HD11 H 8.524 -2.441 7.588 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 11 . 1132 . 1 1 4 ILE HD12 H 7.075 -1.437 7.576 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 11 . 1133 . 1 1 4 ILE HD13 H 8.141 -1.429 8.981 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 11 . 1134 . 1 1 4 ILE HG12 H 9.170 -0.600 6.271 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 11 . 1135 . 1 1 4 ILE HG13 H 9.800 -0.189 7.867 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 11 . 1136 . 1 1 4 ILE HG21 H 8.394 1.335 9.375 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 11 . 1137 . 1 1 4 ILE HG22 H 6.968 0.350 9.054 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 11 . 1138 . 1 1 4 ILE HG23 H 6.937 2.080 8.719 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 11 . 1139 . 1 1 4 ILE N N 6.853 1.869 5.377 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 11 . 1140 . 1 1 4 ILE O O 5.172 -0.334 7.621 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 11 . 1141 . 1 1 5 DHA C C 2.539 2.345 6.866 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 11 . 1142 . 1 1 5 DHA CA C 3.619 1.887 7.785 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 11 . 1143 . 1 1 5 DHA CB C 3.349 1.580 9.062 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 11 . 1144 . 1 1 5 DHA H H 5.136 2.674 6.688 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 11 . 1145 . 1 1 5 DHA HB1 H 4.140 1.250 9.719 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 11 . 1146 . 1 1 5 DHA HB2 H 2.341 1.662 9.438 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 11 . 1147 . 1 1 5 DHA N N 4.837 1.846 7.120 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 11 . 1148 . 1 1 5 DHA O O 1.718 1.564 6.383 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 11 . 1149 . 1 1 6 LEU C C 2.054 5.292 4.817 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 11 . 1150 . 1 1 6 LEU CA C 1.490 4.179 5.694 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 11 . 1151 . 1 1 6 LEU CB C 0.306 4.719 6.503 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 11 . 1152 . 1 1 6 LEU CD1 C -1.763 4.025 7.730 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 11 . 1153 . 1 1 6 LEU CD2 C -1.514 3.488 5.303 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 11 . 1154 . 1 1 6 LEU CG C -0.768 3.634 6.634 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 11 . 1155 . 1 1 6 LEU H H 3.171 4.284 6.974 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 11 . 1156 . 1 1 6 LEU HA H 1.143 3.378 5.062 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 11 . 1157 . 1 1 6 LEU HB2 H 0.648 5.009 7.486 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 11 . 1158 . 1 1 6 LEU HB3 H -0.111 5.578 6.000 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 11 . 1159 . 1 1 6 LEU HD11 H -1.933 3.179 8.379 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 11 . 1160 . 1 1 6 LEU HD12 H -2.698 4.322 7.276 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 11 . 1161 . 1 1 6 LEU HD13 H -1.366 4.846 8.305 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 11 . 1162 . 1 1 6 LEU HD21 H -2.470 3.017 5.478 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 11 . 1163 . 1 1 6 LEU HD22 H -0.933 2.881 4.628 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 11 . 1164 . 1 1 6 LEU HD23 H -1.669 4.465 4.868 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 11 . 1165 . 1 1 6 LEU HG H -0.300 2.696 6.891 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 11 . 1166 . 1 1 6 LEU N N 2.517 3.663 6.591 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 11 . 1167 . 1 1 6 LEU O O 2.574 6.290 5.319 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 11 . 1168 . 1 1 7 CYS C C 1.418 6.343 1.453 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 11 . 1169 . 1 1 7 CYS CA C 2.438 6.113 2.561 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 11 . 1170 . 1 1 7 CYS CB C 3.762 5.651 1.948 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 11 . 1171 . 1 1 7 CYS H H 1.513 4.303 3.161 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 11 . 1172 . 1 1 7 CYS HA H 2.602 7.042 3.087 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 11 . 1173 . 1 1 7 CYS HB2 H 3.682 4.614 1.656 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 11 . 1174 . 1 1 7 CYS HB3 H 3.985 6.252 1.079 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 11 . 1175 . 1 1 7 CYS N N 1.942 5.117 3.504 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 11 . 1176 . 1 1 7 CYS O O 1.080 7.482 1.132 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 11 . 1177 . 1 1 7 CYS SG S 5.092 5.834 3.162 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 11 . 1178 . 1 1 8 ALA C C -1.399 5.822 0.345 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 11 . 1179 . 1 1 8 ALA CA C -0.056 5.344 -0.199 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 11 . 1180 . 1 1 8 ALA CB C -0.231 3.980 -0.870 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 11 . 1181 . 1 1 8 ALA H H 1.235 4.369 1.173 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 11 . 1182 . 1 1 8 ALA HA H 0.295 6.052 -0.935 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 11 . 1183 . 1 1 8 ALA HB1 H -0.988 3.415 -0.346 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 11 . 1184 . 1 1 8 ALA HB2 H 0.705 3.442 -0.843 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 11 . 1185 . 1 1 8 ALA HB3 H -0.535 4.122 -1.897 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 11 . 1186 . 1 1 8 ALA N N 0.929 5.251 0.874 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 11 . 1187 . 1 1 8 ALA O O -2.091 6.523 -0.374 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 11 . 1188 . 1 1 8 ALA OXT O -1.716 5.477 1.472 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 12 . 1189 . 1 1 1 ILE C C 8.748 5.359 6.910 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 12 . 1190 . 1 1 1 ILE CA C 10.261 5.493 6.775 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 12 . 1191 . 1 1 1 ILE CB C 10.616 6.882 6.239 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 12 . 1192 . 1 1 1 ILE CD1 C 12.601 8.256 5.595 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 12 . 1193 . 1 1 1 ILE CG1 C 12.012 6.844 5.613 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 12 . 1194 . 1 1 1 ILE CG2 C 10.599 7.893 7.387 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 12 . 1195 . 1 1 1 ILE H1 H 10.001 4.164 5.194 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 12 . 1196 . 1 1 1 ILE H2 H 11.103 3.633 6.372 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 12 . 1197 . 1 1 1 ILE H3 H 11.550 4.848 5.273 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 12 . 1198 . 1 1 1 ILE HA H 10.721 5.353 7.741 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 12 . 1199 . 1 1 1 ILE HB H 9.892 7.175 5.492 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 12 . 1200 . 1 1 1 ILE HD11 H 12.913 8.529 6.592 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 12 . 1201 . 1 1 1 ILE HD12 H 11.853 8.954 5.248 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 12 . 1202 . 1 1 1 ILE HD13 H 13.452 8.282 4.931 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 12 . 1203 . 1 1 1 ILE HG12 H 12.649 6.194 6.195 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 12 . 1204 . 1 1 1 ILE HG13 H 11.943 6.471 4.602 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 12 . 1205 . 1 1 1 ILE HG21 H 11.574 7.928 7.849 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 12 . 1206 . 1 1 1 ILE HG22 H 9.864 7.593 8.120 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 12 . 1207 . 1 1 1 ILE HG23 H 10.347 8.869 7.001 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 12 . 1208 . 1 1 1 ILE N N 10.767 4.456 5.832 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 12 . 1209 . 1 1 1 ILE O O 8.250 4.743 7.854 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 12 . 1210 . 1 1 2 . C C 6.134 4.653 5.286 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 12 . 1211 . 1 1 2 . CA C 6.619 5.863 6.007 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 12 . 1212 . 1 1 2 . CB C 5.754 6.701 6.593 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 12 . 1213 . 1 1 2 . CG C 6.160 7.966 7.354 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 12 . 1214 . 1 1 2 . H H 8.395 6.432 5.200 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 12 . 1215 . 1 1 2 . HB H 4.702 6.469 6.525 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 12 . 1216 . 1 1 2 . HG1 H 6.095 7.784 8.416 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 12 . 1217 . 1 1 2 . HG2 H 5.497 8.775 7.085 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 12 . 1218 . 1 1 2 . HG3 H 7.175 8.231 7.095 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 12 . 1219 . 1 1 2 . N N 8.005 5.941 5.954 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 12 . 1220 . 1 1 2 . O O 5.319 3.878 5.787 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 12 . 1221 . 1 1 3 DAL C C 5.983 2.099 4.212 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 12 . 1222 . 1 1 3 DAL CA C 6.213 3.293 3.290 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 12 . 1223 . 1 1 3 DAL CB C 4.921 3.610 2.533 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 12 . 1224 . 1 1 3 DAL H H 7.290 5.075 3.658 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 12 . 1225 . 1 1 3 DAL HA H 6.981 3.040 2.576 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 12 . 1226 . 1 1 3 DAL HB1 H 4.089 3.601 3.221 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 12 . 1227 . 1 1 3 DAL HB2 H 4.762 2.868 1.765 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 12 . 1228 . 1 1 3 DAL N N 6.641 4.457 4.056 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 12 . 1229 . 1 1 3 DAL O O 5.112 1.267 3.959 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 12 . 1230 . 1 1 4 ILE C C 5.214 0.835 6.764 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 12 . 1231 . 1 1 4 ILE CA C 6.642 0.926 6.231 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 12 . 1232 . 1 1 4 ILE CB C 7.610 1.131 7.397 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 12 . 1233 . 1 1 4 ILE CD1 C 9.980 1.647 7.994 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 12 . 1234 . 1 1 4 ILE CG1 C 9.039 1.238 6.860 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 12 . 1235 . 1 1 4 ILE CG2 C 7.513 -0.057 8.356 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 12 . 1236 . 1 1 4 ILE H H 7.446 2.715 5.430 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 12 . 1237 . 1 1 4 ILE HA H 6.889 0.001 5.733 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 12 . 1238 . 1 1 4 ILE HB H 7.351 2.039 7.923 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 12 . 1239 . 1 1 4 ILE HD11 H 10.942 1.919 7.582 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 12 . 1240 . 1 1 4 ILE HD12 H 10.102 0.819 8.677 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 12 . 1241 . 1 1 4 ILE HD13 H 9.563 2.491 8.520 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 12 . 1242 . 1 1 4 ILE HG12 H 9.346 0.281 6.462 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 12 . 1243 . 1 1 4 ILE HG13 H 9.075 1.981 6.078 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 12 . 1244 . 1 1 4 ILE HG21 H 8.414 -0.648 8.288 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 12 . 1245 . 1 1 4 ILE HG22 H 6.661 -0.667 8.090 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 12 . 1246 . 1 1 4 ILE HG23 H 7.396 0.305 9.366 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 12 . 1247 . 1 1 4 ILE N N 6.768 2.023 5.280 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 12 . 1248 . 1 1 4 ILE O O 4.525 -0.162 6.553 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 12 . 1249 . 1 1 5 DHA C C 2.490 2.323 6.969 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 12 . 1250 . 1 1 5 DHA CA C 3.479 1.880 7.990 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 12 . 1251 . 1 1 5 DHA CB C 3.078 1.537 9.223 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 12 . 1252 . 1 1 5 DHA H H 5.311 2.686 7.643 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 12 . 1253 . 1 1 5 DHA HB1 H 3.802 1.216 9.958 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 12 . 1254 . 1 1 5 DHA HB2 H 2.032 1.580 9.486 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 12 . 1255 . 1 1 5 DHA N N 4.767 1.890 7.469 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 12 . 1256 . 1 1 5 DHA O O 1.827 1.520 6.312 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 12 . 1257 . 1 1 6 LEU C C 2.065 5.208 4.933 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 12 . 1258 . 1 1 6 LEU CA C 1.412 4.157 5.824 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 12 . 1259 . 1 1 6 LEU CB C 0.201 4.768 6.535 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 12 . 1260 . 1 1 6 LEU CD1 C -0.193 6.713 8.052 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 12 . 1261 . 1 1 6 LEU CD2 C 0.495 4.509 9.001 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 12 . 1262 . 1 1 6 LEU CG C 0.658 5.464 7.818 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 12 . 1263 . 1 1 6 LEU H H 2.890 4.292 7.331 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 12 . 1264 . 1 1 6 LEU HA H 1.076 3.336 5.209 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 12 . 1265 . 1 1 6 LEU HB2 H -0.273 5.488 5.882 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 12 . 1266 . 1 1 6 LEU HB3 H -0.503 3.988 6.782 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 12 . 1267 . 1 1 6 LEU HD11 H -1.180 6.558 7.645 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 12 . 1268 . 1 1 6 LEU HD12 H 0.268 7.559 7.565 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 12 . 1269 . 1 1 6 LEU HD13 H -0.266 6.904 9.112 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 12 . 1270 . 1 1 6 LEU HD21 H 1.027 3.591 8.799 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 12 . 1271 . 1 1 6 LEU HD22 H -0.553 4.292 9.148 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 12 . 1272 . 1 1 6 LEU HD23 H 0.896 4.968 9.892 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 12 . 1273 . 1 1 6 LEU HG H 1.696 5.749 7.721 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 12 . 1274 . 1 1 6 LEU N N 2.363 3.652 6.807 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 12 . 1275 . 1 1 6 LEU O O 2.641 6.180 5.423 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 12 . 1276 . 1 1 7 CYS C C 2.376 5.440 1.241 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 12 . 1277 . 1 1 7 CYS CA C 2.554 5.945 2.671 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 12 . 1278 . 1 1 7 CYS CB C 4.044 6.143 2.979 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 12 . 1279 . 1 1 7 CYS H H 1.498 4.216 3.289 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 12 . 1280 . 1 1 7 CYS HA H 2.052 6.897 2.768 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 12 . 1281 . 1 1 7 CYS HB2 H 4.283 7.195 2.934 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 12 . 1282 . 1 1 7 CYS HB3 H 4.256 5.771 3.971 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 12 . 1283 . 1 1 7 CYS N N 1.970 5.007 3.622 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 12 . 1284 . 1 1 7 CYS O O 3.022 5.930 0.314 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 12 . 1285 . 1 1 7 CYS SG S 5.055 5.246 1.772 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 12 . 1286 . 1 1 8 ALA C C 1.427 4.953 -1.334 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 12 . 1287 . 1 1 8 ALA CA C 1.241 3.894 -0.252 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 12 . 1288 . 1 1 8 ALA CB C -0.184 3.341 -0.318 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 12 . 1289 . 1 1 8 ALA H H 1.011 4.106 1.845 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 12 . 1290 . 1 1 8 ALA HA H 1.936 3.087 -0.428 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 12 . 1291 . 1 1 8 ALA HB1 H -0.886 4.160 -0.335 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 12 . 1292 . 1 1 8 ALA HB2 H -0.371 2.724 0.549 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 12 . 1293 . 1 1 8 ALA HB3 H -0.298 2.749 -1.213 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 12 . 1294 . 1 1 8 ALA N N 1.496 4.458 1.070 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 12 . 1295 . 1 1 8 ALA O O 0.631 5.877 -1.373 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 12 . 1296 . 1 1 8 ALA OXT O 2.361 4.825 -2.108 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 13 . 1297 . 1 1 1 ILE C C 7.932 4.851 7.762 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 13 . 1298 . 1 1 1 ILE CA C 8.313 4.409 9.171 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 13 . 1299 . 1 1 1 ILE CB C 7.949 5.504 10.176 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 13 . 1300 . 1 1 1 ILE CD1 C 10.095 5.466 11.467 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 13 . 1301 . 1 1 1 ILE CG1 C 8.589 5.188 11.530 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 13 . 1302 . 1 1 1 ILE CG2 C 6.429 5.565 10.333 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 13 . 1303 . 1 1 1 ILE H1 H 10.074 3.636 8.375 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 13 . 1304 . 1 1 1 ILE H2 H 10.000 3.586 10.071 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 13 . 1305 . 1 1 1 ILE H3 H 10.288 5.058 9.273 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 13 . 1306 . 1 1 1 ILE HA H 7.781 3.503 9.419 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 13 . 1307 . 1 1 1 ILE HB H 8.310 6.456 9.816 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 13 . 1308 . 1 1 1 ILE HD11 H 10.413 5.937 12.386 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 13 . 1309 . 1 1 1 ILE HD12 H 10.308 6.120 10.634 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 13 . 1310 . 1 1 1 ILE HD13 H 10.627 4.535 11.339 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 13 . 1311 . 1 1 1 ILE HG12 H 8.141 5.809 12.293 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 13 . 1312 . 1 1 1 ILE HG13 H 8.427 4.148 11.771 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 13 . 1313 . 1 1 1 ILE HG21 H 6.051 6.444 9.831 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 13 . 1314 . 1 1 1 ILE HG22 H 6.177 5.614 11.382 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 13 . 1315 . 1 1 1 ILE HG23 H 5.986 4.683 9.897 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 13 . 1316 . 1 1 1 ILE N N 9.779 4.153 9.227 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 13 . 1317 . 1 1 1 ILE O O 8.768 4.868 6.859 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 13 . 1318 . 1 1 2 . C C 6.030 4.456 5.413 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 13 . 1319 . 1 1 2 . CA C 6.232 5.627 6.309 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 13 . 1320 . 1 1 2 . CB C 6.017 6.873 5.865 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 13 . 1321 . 1 1 2 . CG C 6.200 8.135 6.711 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 13 . 1322 . 1 1 2 . H H 5.980 5.203 8.281 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 13 . 1323 . 1 1 2 . HB H 5.690 6.993 4.843 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 13 . 1324 . 1 1 2 . HG1 H 6.153 9.006 6.073 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 13 . 1325 . 1 1 2 . HG2 H 7.161 8.101 7.203 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 13 . 1326 . 1 1 2 . HG3 H 5.418 8.188 7.452 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 13 . 1327 . 1 1 2 . N N 6.652 5.214 7.568 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 13 . 1328 . 1 1 2 . O O 5.191 3.587 5.652 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 13 . 1329 . 1 1 3 DAL C C 6.448 1.984 4.158 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 13 . 1330 . 1 1 3 DAL CA C 6.695 3.287 3.402 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 13 . 1331 . 1 1 3 DAL CB C 5.553 3.549 2.418 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 13 . 1332 . 1 1 3 DAL H H 7.494 5.096 4.145 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 13 . 1333 . 1 1 3 DAL HA H 7.616 3.192 2.844 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 13 . 1334 . 1 1 3 DAL HB1 H 5.404 2.675 1.800 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 13 . 1335 . 1 1 3 DAL HB2 H 5.812 4.389 1.792 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 13 . 1336 . 1 1 3 DAL N N 6.825 4.404 4.330 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 13 . 1337 . 1 1 3 DAL O O 5.914 1.023 3.602 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 13 . 1338 . 1 1 4 ILE C C 5.244 0.667 6.768 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 13 . 1339 . 1 1 4 ILE CA C 6.676 0.768 6.251 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 13 . 1340 . 1 1 4 ILE CB C 7.644 0.811 7.436 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 13 . 1341 . 1 1 4 ILE CD1 C 9.183 -1.070 6.826 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 13 . 1342 . 1 1 4 ILE CG1 C 9.055 0.450 6.960 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 13 . 1343 . 1 1 4 ILE CG2 C 7.195 -0.190 8.503 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 13 . 1344 . 1 1 4 ILE H H 7.272 2.754 5.809 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 13 . 1345 . 1 1 4 ILE HA H 6.894 -0.104 5.654 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 13 . 1346 . 1 1 4 ILE HB H 7.649 1.806 7.858 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 13 . 1347 . 1 1 4 ILE HD11 H 9.777 -1.305 5.957 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 13 . 1348 . 1 1 4 ILE HD12 H 8.202 -1.508 6.720 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 13 . 1349 . 1 1 4 ILE HD13 H 9.662 -1.469 7.707 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 13 . 1350 . 1 1 4 ILE HG12 H 9.241 0.914 6.003 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 13 . 1351 . 1 1 4 ILE HG13 H 9.779 0.807 7.679 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 13 . 1352 . 1 1 4 ILE HG21 H 8.060 -0.591 9.008 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 13 . 1353 . 1 1 4 ILE HG22 H 6.645 -0.993 8.036 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 13 . 1354 . 1 1 4 ILE HG23 H 6.560 0.311 9.220 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 13 . 1355 . 1 1 4 ILE N N 6.848 1.960 5.425 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 13 . 1356 . 1 1 4 ILE O O 4.665 -0.417 6.808 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 13 . 1357 . 1 1 5 DHA C C 2.444 2.517 6.751 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 13 . 1358 . 1 1 5 DHA CA C 3.366 1.789 7.665 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 13 . 1359 . 1 1 5 DHA CB C 2.905 1.221 8.787 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 13 . 1360 . 1 1 5 DHA H H 5.121 2.678 7.153 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 13 . 1361 . 1 1 5 DHA HB1 H 3.580 0.694 9.445 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 13 . 1362 . 1 1 5 DHA HB2 H 1.857 1.288 9.039 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 13 . 1363 . 1 1 5 DHA N N 4.666 1.810 7.177 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 13 . 1364 . 1 1 5 DHA O O 1.841 1.945 5.842 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 13 . 1365 . 1 1 6 LEU C C 2.177 5.201 4.940 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 13 . 1366 . 1 1 6 LEU CA C 1.414 4.611 6.121 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 13 . 1367 . 1 1 6 LEU CB C 0.765 5.738 6.926 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 13 . 1368 . 1 1 6 LEU CD1 C 0.628 4.498 9.089 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 13 . 1369 . 1 1 6 LEU CD2 C -1.067 6.249 8.546 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 13 . 1370 . 1 1 6 LEU CG C -0.184 5.142 7.966 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 13 . 1371 . 1 1 6 LEU H H 2.783 4.292 7.702 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 13 . 1372 . 1 1 6 LEU HA H 0.637 3.961 5.746 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 13 . 1373 . 1 1 6 LEU HB2 H 1.534 6.311 7.425 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 13 . 1374 . 1 1 6 LEU HB3 H 0.210 6.383 6.261 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 13 . 1375 . 1 1 6 LEU HD11 H 0.893 3.489 8.811 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 13 . 1376 . 1 1 6 LEU HD12 H 0.039 4.479 9.995 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 13 . 1377 . 1 1 6 LEU HD13 H 1.527 5.072 9.258 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 13 . 1378 . 1 1 6 LEU HD21 H -1.639 5.856 9.374 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 13 . 1379 . 1 1 6 LEU HD22 H -1.740 6.609 7.782 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 13 . 1380 . 1 1 6 LEU HD23 H -0.445 7.061 8.891 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 13 . 1381 . 1 1 6 LEU HG H -0.806 4.392 7.496 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 13 . 1382 . 1 1 6 LEU N N 2.306 3.836 6.978 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 13 . 1383 . 1 1 6 LEU O O 3.316 5.645 5.085 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 13 . 1384 . 1 1 7 CYS C C 1.554 5.085 1.328 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 13 . 1385 . 1 1 7 CYS CA C 2.148 5.746 2.566 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 13 . 1386 . 1 1 7 CYS CB C 3.660 5.520 2.582 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 13 . 1387 . 1 1 7 CYS H H 0.628 4.839 3.730 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 13 . 1388 . 1 1 7 CYS HA H 1.955 6.807 2.521 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 13 . 1389 . 1 1 7 CYS HB2 H 4.029 5.541 1.568 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 13 . 1390 . 1 1 7 CYS HB3 H 4.136 6.303 3.153 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 13 . 1391 . 1 1 7 CYS N N 1.535 5.205 3.777 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 13 . 1392 . 1 1 7 CYS O O 1.087 5.762 0.413 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 13 . 1393 . 1 1 7 CYS SG S 4.029 3.910 3.332 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 13 . 1394 . 1 1 8 ALA C C -0.374 3.473 -0.152 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 13 . 1395 . 1 1 8 ALA CA C 1.042 3.010 0.175 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 13 . 1396 . 1 1 8 ALA CB C 1.032 1.516 0.500 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 13 . 1397 . 1 1 8 ALA H H 1.965 3.271 2.064 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 13 . 1398 . 1 1 8 ALA HA H 1.673 3.174 -0.686 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 13 . 1399 . 1 1 8 ALA HB1 H 2.041 1.131 0.460 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 13 . 1400 . 1 1 8 ALA HB2 H 0.419 0.993 -0.220 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 13 . 1401 . 1 1 8 ALA HB3 H 0.629 1.366 1.492 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 13 . 1402 . 1 1 8 ALA N N 1.579 3.757 1.305 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 13 . 1403 . 1 1 8 ALA O O -0.590 3.906 -1.271 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 13 . 1404 . 1 1 8 ALA OXT O -1.220 3.390 0.723 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 14 . 1405 . 1 1 1 ILE C C 8.332 6.859 4.891 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 14 . 1406 . 1 1 1 ILE CA C 8.727 7.254 6.310 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 14 . 1407 . 1 1 1 ILE CB C 9.483 8.583 6.290 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 14 . 1408 . 1 1 1 ILE CD1 C 9.012 10.364 4.558 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 14 . 1409 . 1 1 1 ILE CG1 C 8.524 9.708 5.855 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 14 . 1410 . 1 1 1 ILE CG2 C 10.665 8.477 5.321 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 14 . 1411 . 1 1 1 ILE H1 H 10.285 5.878 6.174 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 14 . 1412 . 1 1 1 ILE H2 H 9.018 5.393 7.198 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 14 . 1413 . 1 1 1 ILE H3 H 10.118 6.583 7.707 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 14 . 1414 . 1 1 1 ILE HA H 7.838 7.356 6.914 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 14 . 1415 . 1 1 1 ILE HB H 9.856 8.794 7.283 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 14 . 1416 . 1 1 1 ILE HD11 H 9.996 10.779 4.714 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 14 . 1417 . 1 1 1 ILE HD12 H 8.329 11.151 4.274 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 14 . 1418 . 1 1 1 ILE HD13 H 9.053 9.623 3.773 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 14 . 1419 . 1 1 1 ILE HG12 H 7.538 9.295 5.695 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 14 . 1420 . 1 1 1 ILE HG13 H 8.474 10.454 6.634 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 14 . 1421 . 1 1 1 ILE HG21 H 10.300 8.237 4.333 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 14 . 1422 . 1 1 1 ILE HG22 H 11.336 7.700 5.655 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 14 . 1423 . 1 1 1 ILE HG23 H 11.192 9.420 5.290 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 14 . 1424 . 1 1 1 ILE N N 9.603 6.198 6.891 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 14 . 1425 . 1 1 1 ILE O O 7.378 7.396 4.328 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 14 . 1426 . 1 1 2 . C C 7.425 4.877 2.959 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 14 . 1427 . 1 1 2 . CA C 8.780 5.492 3.012 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 14 . 1428 . 1 1 2 . CB C 9.532 5.588 1.908 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 14 . 1429 . 1 1 2 . CG C 10.932 6.205 1.869 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 14 . 1430 . 1 1 2 . H H 9.838 5.475 4.746 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 14 . 1431 . 1 1 2 . HB H 9.124 5.204 0.984 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 14 . 1432 . 1 1 2 . HG1 H 11.636 5.476 1.497 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 14 . 1433 . 1 1 2 . HG2 H 11.220 6.507 2.866 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 14 . 1434 . 1 1 2 . HG3 H 10.928 7.067 1.219 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 14 . 1435 . 1 1 2 . N N 9.077 5.907 4.304 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 14 . 1436 . 1 1 2 . O O 6.436 5.527 2.630 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 14 . 1437 . 1 1 3 DAL C C 6.063 1.777 4.346 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 14 . 1438 . 1 1 3 DAL CA C 6.077 2.864 3.277 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 14 . 1439 . 1 1 3 DAL CB C 4.913 3.826 3.543 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 14 . 1440 . 1 1 3 DAL H H 8.165 3.070 3.550 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 14 . 1441 . 1 1 3 DAL HA H 5.939 2.407 2.309 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 14 . 1442 . 1 1 3 DAL HB1 H 5.250 4.635 4.168 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 14 . 1443 . 1 1 3 DAL HB2 H 4.123 3.292 4.052 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 14 . 1444 . 1 1 3 DAL N N 7.362 3.570 3.292 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 14 . 1445 . 1 1 3 DAL O O 5.339 0.789 4.229 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 14 . 1446 . 1 1 4 ILE C C 5.581 0.873 7.166 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 14 . 1447 . 1 1 4 ILE CA C 6.934 0.994 6.473 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 14 . 1448 . 1 1 4 ILE CB C 7.995 1.413 7.492 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 14 . 1449 . 1 1 4 ILE CD1 C 8.516 3.438 8.860 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 14 . 1450 . 1 1 4 ILE CG1 C 8.162 2.934 7.459 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 14 . 1451 . 1 1 4 ILE CG2 C 9.328 0.748 7.144 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 14 . 1452 . 1 1 4 ILE H H 7.420 2.775 5.431 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 14 . 1453 . 1 1 4 ILE HA H 7.204 0.032 6.064 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 14 . 1454 . 1 1 4 ILE HB H 7.686 1.104 8.480 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 14 . 1455 . 1 1 4 ILE HD11 H 9.368 2.890 9.235 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 14 . 1456 . 1 1 4 ILE HD12 H 7.674 3.289 9.520 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 14 . 1457 . 1 1 4 ILE HD13 H 8.755 4.490 8.815 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 14 . 1458 . 1 1 4 ILE HG12 H 8.954 3.195 6.772 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 14 . 1459 . 1 1 4 ILE HG13 H 7.239 3.392 7.137 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 14 . 1460 . 1 1 4 ILE HG21 H 9.360 0.538 6.085 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 14 . 1461 . 1 1 4 ILE HG22 H 9.424 -0.175 7.697 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 14 . 1462 . 1 1 4 ILE HG23 H 10.140 1.411 7.406 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 14 . 1463 . 1 1 4 ILE N N 6.866 1.967 5.389 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 14 . 1464 . 1 1 4 ILE O O 5.239 -0.178 7.708 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 14 . 1465 . 1 1 5 DHA C C 2.484 2.319 6.790 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 14 . 1466 . 1 1 5 DHA CA C 3.549 1.936 7.758 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 14 . 1467 . 1 1 5 DHA CB C 3.242 1.621 9.023 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 14 . 1468 . 1 1 5 DHA H H 5.063 2.806 6.719 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 14 . 1469 . 1 1 5 DHA HB1 H 4.021 1.345 9.718 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 14 . 1470 . 1 1 5 DHA HB2 H 2.214 1.643 9.354 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 14 . 1471 . 1 1 5 DHA N N 4.797 1.966 7.149 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 14 . 1472 . 1 1 5 DHA O O 1.807 1.477 6.199 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 14 . 1473 . 1 1 6 LEU C C 1.730 5.340 4.929 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 14 . 1474 . 1 1 6 LEU CA C 1.278 4.083 5.666 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 14 . 1475 . 1 1 6 LEU CB C -0.026 4.369 6.416 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 14 . 1476 . 1 1 6 LEU CD1 C 1.183 5.173 8.454 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 14 . 1477 . 1 1 6 LEU CD2 C -1.152 4.296 8.643 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 14 . 1478 . 1 1 6 LEU CG C 0.186 4.143 7.914 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 14 . 1479 . 1 1 6 LEU H H 2.843 4.309 7.071 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 14 . 1480 . 1 1 6 LEU HA H 1.099 3.300 4.945 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 14 . 1481 . 1 1 6 LEU HB2 H -0.324 5.393 6.244 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 14 . 1482 . 1 1 6 LEU HB3 H -0.798 3.704 6.060 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 14 . 1483 . 1 1 6 LEU HD11 H 2.022 4.660 8.902 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 14 . 1484 . 1 1 6 LEU HD12 H 0.699 5.789 9.198 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 14 . 1485 . 1 1 6 LEU HD13 H 1.533 5.795 7.644 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 14 . 1486 . 1 1 6 LEU HD21 H -1.870 3.605 8.226 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 14 . 1487 . 1 1 6 LEU HD22 H -1.513 5.307 8.523 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 14 . 1488 . 1 1 6 LEU HD23 H -1.016 4.084 9.693 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 14 . 1489 . 1 1 6 LEU HG H 0.574 3.148 8.076 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 14 . 1490 . 1 1 6 LEU N N 2.305 3.638 6.601 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 14 . 1491 . 1 1 6 LEU O O 1.809 6.420 5.515 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 14 . 1492 . 1 1 7 CYS C C 1.639 6.413 1.550 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 14 . 1493 . 1 1 7 CYS CA C 2.461 6.324 2.831 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 14 . 1494 . 1 1 7 CYS CB C 3.941 6.177 2.475 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 14 . 1495 . 1 1 7 CYS H H 1.938 4.308 3.227 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 14 . 1496 . 1 1 7 CYS HA H 2.327 7.233 3.398 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 14 . 1497 . 1 1 7 CYS HB2 H 4.178 6.845 1.659 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 14 . 1498 . 1 1 7 CYS HB3 H 4.544 6.434 3.330 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 14 . 1499 . 1 1 7 CYS N N 2.022 5.192 3.641 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 14 . 1500 . 1 1 7 CYS O O 1.273 7.503 1.109 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 14 . 1501 . 1 1 7 CYS SG S 4.281 4.468 1.966 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 14 . 1502 . 1 1 8 ALA C C -0.821 4.663 -0.008 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 14 . 1503 . 1 1 8 ALA CA C 0.576 5.215 -0.275 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 14 . 1504 . 1 1 8 ALA CB C 1.285 4.335 -1.306 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 14 . 1505 . 1 1 8 ALA H H 1.673 4.422 1.354 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 14 . 1506 . 1 1 8 ALA HA H 0.489 6.215 -0.672 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 14 . 1507 . 1 1 8 ALA HB1 H 1.694 3.465 -0.815 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 14 . 1508 . 1 1 8 ALA HB2 H 2.083 4.896 -1.770 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 14 . 1509 . 1 1 8 ALA HB3 H 0.578 4.023 -2.061 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 14 . 1510 . 1 1 8 ALA N N 1.354 5.259 0.957 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 14 . 1511 . 1 1 8 ALA O O -1.339 4.911 1.068 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 14 . 1512 . 1 1 8 ALA OXT O -1.353 4.001 -0.885 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
. 15 . 1513 . 1 1 1 ILE C C 9.001 5.733 6.080 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_6qyw 1
. 15 . 1514 . 1 1 1 ILE CA C 10.126 5.297 7.014 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_6qyw 1
. 15 . 1515 . 1 1 1 ILE CB C 11.088 6.461 7.265 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_6qyw 1
. 15 . 1516 . 1 1 1 ILE CD1 C 11.244 7.105 9.676 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_6qyw 1
. 15 . 1517 . 1 1 1 ILE CG1 C 10.516 7.370 8.357 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_6qyw 1
. 15 . 1518 . 1 1 1 ILE CG2 C 11.267 7.263 5.975 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_6qyw 1
. 15 . 1519 . 1 1 1 ILE H1 H 11.822 4.488 6.117 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_6qyw 1
. 15 . 1520 . 1 1 1 ILE H2 H 10.359 3.836 5.549 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_6qyw 1
. 15 . 1521 . 1 1 1 ILE H3 H 10.957 3.389 7.076 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H3 . . . . . . . . . rr_6qyw 1
. 15 . 1522 . 1 1 1 ILE HA H 9.705 4.972 7.955 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_6qyw 1
. 15 . 1523 . 1 1 1 ILE HB H 12.046 6.073 7.582 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_6qyw 1
. 15 . 1524 . 1 1 1 ILE HD11 H 10.805 7.706 10.458 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_6qyw 1
. 15 . 1525 . 1 1 1 ILE HD12 H 12.289 7.362 9.569 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_6qyw 1
. 15 . 1526 . 1 1 1 ILE HD13 H 11.156 6.058 9.933 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_6qyw 1
. 15 . 1527 . 1 1 1 ILE HG12 H 10.651 8.403 8.071 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_6qyw 1
. 15 . 1528 . 1 1 1 ILE HG13 H 9.463 7.165 8.482 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_6qyw 1
. 15 . 1529 . 1 1 1 ILE HG21 H 11.362 6.585 5.140 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_6qyw 1
. 15 . 1530 . 1 1 1 ILE HG22 H 12.157 7.869 6.050 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_6qyw 1
. 15 . 1531 . 1 1 1 ILE HG23 H 10.408 7.901 5.825 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_6qyw 1
. 15 . 1532 . 1 1 1 ILE N N 10.873 4.168 6.392 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_6qyw 1
. 15 . 1533 . 1 1 1 ILE O O 9.126 5.650 4.859 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_6qyw 1
. 15 . 1534 . 1 1 2 . C C 6.669 5.746 4.676 . . . 1.0 . . . . . . . . . . . . A . 2 DBU C . . . . . . . . . rr_6qyw 1
. 15 . 1535 . 1 1 2 . CA C 6.804 6.603 5.885 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CA . . . . . . . . . rr_6qyw 1
. 15 . 1536 . 1 1 2 . CB C 5.945 7.602 6.104 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CB . . . . . . . . . rr_6qyw 1
. 15 . 1537 . 1 1 2 . CG C 5.992 8.537 7.313 . . . 1.0 . . . . . . . . . . . . A . 2 DBU CG . . . . . . . . . rr_6qyw 1
. 15 . 1538 . 1 1 2 . H H 7.774 6.255 7.636 . . . 1.0 . . . . . . . . . . . . A . 2 DBU H . . . . . . . . . rr_6qyw 1
. 15 . 1539 . 1 1 2 . HB H 5.167 7.757 5.374 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HB . . . . . . . . . rr_6qyw 1
. 15 . 1540 . 1 1 2 . HG1 H 5.881 9.559 6.983 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG1 . . . . . . . . . rr_6qyw 1
. 15 . 1541 . 1 1 2 . HG2 H 6.939 8.423 7.820 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG2 . . . . . . . . . rr_6qyw 1
. 15 . 1542 . 1 1 2 . HG3 H 5.189 8.289 7.991 . . . 1.0 . . . . . . . . . . . . A . 2 DBU HG3 . . . . . . . . . rr_6qyw 1
. 15 . 1543 . 1 1 2 . N N 7.881 6.194 6.664 . . . 1.0 . . . . . . . . . . . . A . 2 DBU N . . . . . . . . . rr_6qyw 1
. 15 . 1544 . 1 1 2 . O O 6.335 6.209 3.587 . . . 1.0 . . . . . . . . . . . . A . 2 DBU O . . . . . . . . . rr_6qyw 1
. 15 . 1545 . 1 1 3 DAL C C 6.413 2.124 4.274 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyw 1
. 15 . 1546 . 1 1 3 DAL CA C 6.831 3.494 3.752 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyw 1
. 15 . 1547 . 1 1 3 DAL CB C 5.799 3.959 2.724 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyw 1
. 15 . 1548 . 1 1 3 DAL H H 7.196 4.102 5.742 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyw 1
. 15 . 1549 . 1 1 3 DAL HA H 7.790 3.411 3.266 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyw 1
. 15 . 1550 . 1 1 3 DAL HB1 H 5.486 3.112 2.129 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyw 1
. 15 . 1551 . 1 1 3 DAL HB2 H 6.236 4.704 2.078 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyw 1
. 15 . 1552 . 1 1 3 DAL N N 6.936 4.442 4.863 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyw 1
. 15 . 1553 . 1 1 3 DAL O O 5.643 1.411 3.630 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyw 1
. 15 . 1554 . 1 1 4 ILE C C 5.333 0.611 6.916 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_6qyw 1
. 15 . 1555 . 1 1 4 ILE CA C 6.583 0.479 6.054 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_6qyw 1
. 15 . 1556 . 1 1 4 ILE CB C 7.748 -0.024 6.910 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_6qyw 1
. 15 . 1557 . 1 1 4 ILE CD1 C 9.548 0.718 8.481 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_6qyw 1
. 15 . 1558 . 1 1 4 ILE CG1 C 8.602 1.163 7.364 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_6qyw 1
. 15 . 1559 . 1 1 4 ILE CG2 C 8.608 -0.982 6.084 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_6qyw 1
. 15 . 1560 . 1 1 4 ILE H H 7.523 2.374 5.923 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_6qyw 1
. 15 . 1561 . 1 1 4 ILE HA H 6.393 -0.237 5.268 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_6qyw 1
. 15 . 1562 . 1 1 4 ILE HB H 7.361 -0.543 7.775 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_6qyw 1
. 15 . 1563 . 1 1 4 ILE HD11 H 10.168 1.549 8.780 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_6qyw 1
. 15 . 1564 . 1 1 4 ILE HD12 H 10.173 -0.088 8.124 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_6qyw 1
. 15 . 1565 . 1 1 4 ILE HD13 H 8.971 0.376 9.328 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_6qyw 1
. 15 . 1566 . 1 1 4 ILE HG12 H 9.179 1.531 6.528 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_6qyw 1
. 15 . 1567 . 1 1 4 ILE HG13 H 7.959 1.948 7.731 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_6qyw 1
. 15 . 1568 . 1 1 4 ILE HG21 H 8.059 -1.895 5.906 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_6qyw 1
. 15 . 1569 . 1 1 4 ILE HG22 H 9.516 -1.207 6.624 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_6qyw 1
. 15 . 1570 . 1 1 4 ILE HG23 H 8.855 -0.521 5.139 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_6qyw 1
. 15 . 1571 . 1 1 4 ILE N N 6.918 1.764 5.452 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_6qyw 1
. 15 . 1572 . 1 1 4 ILE O O 4.974 -0.305 7.656 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_6qyw 1
. 15 . 1573 . 1 1 5 DHA C C 2.467 2.656 6.744 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyw 1
. 15 . 1574 . 1 1 5 DHA CA C 3.507 1.976 7.564 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyw 1
. 15 . 1575 . 1 1 5 DHA CB C 3.266 1.646 8.839 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyw 1
. 15 . 1576 . 1 1 5 DHA H H 4.941 2.501 6.226 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyw 1
. 15 . 1577 . 1 1 5 DHA HB1 H 4.027 1.153 9.426 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyw 1
. 15 . 1578 . 1 1 5 DHA HB2 H 2.310 1.874 9.287 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyw 1
. 15 . 1579 . 1 1 5 DHA N N 4.658 1.771 6.815 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyw 1
. 15 . 1580 . 1 1 5 DHA O O 1.757 2.039 5.950 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyw 1
. 15 . 1581 . 1 1 6 LEU C C 1.997 5.353 4.917 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyw 1
. 15 . 1582 . 1 1 6 LEU CA C 1.354 4.710 6.141 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyw 1
. 15 . 1583 . 1 1 6 LEU CB C 0.696 5.789 7.003 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyw 1
. 15 . 1584 . 1 1 6 LEU CD1 C 0.788 5.163 9.422 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyw 1
. 15 . 1585 . 1 1 6 LEU CD2 C -1.373 5.890 8.399 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyw 1
. 15 . 1586 . 1 1 6 LEU CG C -0.067 5.130 8.153 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyw 1
. 15 . 1587 . 1 1 6 LEU H H 2.917 4.478 7.548 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyw 1
. 15 . 1588 . 1 1 6 LEU HA H 0.597 4.017 5.813 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyw 1
. 15 . 1589 . 1 1 6 LEU HB2 H 1.457 6.445 7.403 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyw 1
. 15 . 1590 . 1 1 6 LEU HB3 H 0.009 6.363 6.400 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyw 1
. 15 . 1591 . 1 1 6 LEU HD11 H 0.910 6.187 9.747 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyw 1
. 15 . 1592 . 1 1 6 LEU HD12 H 1.756 4.733 9.215 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyw 1
. 15 . 1593 . 1 1 6 LEU HD13 H 0.300 4.595 10.199 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyw 1
. 15 . 1594 . 1 1 6 LEU HD21 H -1.860 5.493 9.278 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyw 1
. 15 . 1595 . 1 1 6 LEU HD22 H -2.023 5.774 7.544 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyw 1
. 15 . 1596 . 1 1 6 LEU HD23 H -1.158 6.937 8.549 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyw 1
. 15 . 1597 . 1 1 6 LEU HG H -0.288 4.104 7.896 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyw 1
. 15 . 1598 . 1 1 6 LEU N N 2.352 3.984 6.918 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyw 1
. 15 . 1599 . 1 1 6 LEU O O 2.931 6.145 5.037 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyw 1
. 15 . 1600 . 1 1 7 CYS C C 0.999 5.404 1.373 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyw 1
. 15 . 1601 . 1 1 7 CYS CA C 2.023 5.543 2.494 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyw 1
. 15 . 1602 . 1 1 7 CYS CB C 3.309 4.804 2.117 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyw 1
. 15 . 1603 . 1 1 7 CYS H H 0.747 4.362 3.706 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyw 1
. 15 . 1604 . 1 1 7 CYS HA H 2.250 6.590 2.635 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyw 1
. 15 . 1605 . 1 1 7 CYS HB2 H 3.064 3.820 1.745 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyw 1
. 15 . 1606 . 1 1 7 CYS HB3 H 3.839 5.355 1.353 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyw 1
. 15 . 1607 . 1 1 7 CYS N N 1.491 5.000 3.739 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyw 1
. 15 . 1608 . 1 1 7 CYS O O 0.788 6.332 0.593 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyw 1
. 15 . 1609 . 1 1 7 CYS SG S 4.362 4.649 3.577 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyw 1
. 15 . 1610 . 1 1 8 ALA C C -2.028 4.395 0.782 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyw 1
. 15 . 1611 . 1 1 8 ALA CA C -0.647 3.991 0.279 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyw 1
. 15 . 1612 . 1 1 8 ALA CB C -0.653 2.508 -0.102 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyw 1
. 15 . 1613 . 1 1 8 ALA H H 0.567 3.538 1.957 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyw 1
. 15 . 1614 . 1 1 8 ALA HA H -0.408 4.575 -0.597 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyw 1
. 15 . 1615 . 1 1 8 ALA HB1 H -1.488 2.308 -0.757 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyw 1
. 15 . 1616 . 1 1 8 ALA HB2 H -0.745 1.908 0.791 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyw 1
. 15 . 1617 . 1 1 8 ALA HB3 H 0.269 2.261 -0.607 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyw 1
. 15 . 1618 . 1 1 8 ALA N N 0.360 4.240 1.304 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyw 1
. 15 . 1619 . 1 1 8 ALA O O -2.673 3.571 1.411 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyw 1
. 15 . 1620 . 1 1 8 ALA OXT O -2.422 5.523 0.534 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyw 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_6qyw
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6qyw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyw 1
1 6qyw.mr . . XPLOR/CNS 2 distance NOE ambi 14 rr_6qyw 1
1 6qyw.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 4 rr_6qyw 1
1 6qyw.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyw 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_6qyw
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '6qyw'" . . . . distance "general distance" . 7 rr_6qyw 1
2 "From CCPN project: '6qyw'" . . . . "dihedral angle" "Not applicable" . 3 rr_6qyw 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6qyw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyw 1
1 6qyw.mr . . XPLOR/CNS 2 distance NOE ambi 14 rr_6qyw 1
1 6qyw.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 4 rr_6qyw 1
1 6qyw.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyw 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_6qyw
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_6qyw 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 6 6 LEU H H . . . 1 1 7 7 CYS H H . . . . . 4.0 3.2 4.8 . . . . . A . 6 LEU H . . A . 7 CYS H . . . 6 . HN . . . . . 7 . HN . . rr_6qyw 1
1 2 OR . 1 1 6 6 LEU H H . . . 1 1 4 4 ILE H H . . . . . 4.0 3.2 4.8 . . . . . A . 6 LEU H . . A . 4 ILE H . . . 6 . HN . . . . . 4 . HN . . rr_6qyw 1
2 1 OR . 1 1 7 7 CYS H H . . . 1 1 8 8 ALA H H . . . . . 3.8 3.0 4.6 . . . . . A . 7 CYS H . . A . 8 ALA H . . . 7 . HN . . . . . 8 . HN . . rr_6qyw 1
2 2 OR . 1 1 4 4 ILE H H . . . 1 1 8 8 ALA H H . . . . . 3.8 3.0 4.6 . . . . . A . 4 ILE H . . A . 8 ALA H . . . 4 . HN . . . . . 8 . HN . . rr_6qyw 1
3 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 CYS HA H . . . . . 3.2 2.6 3.8 . . . . . A . 8 ALA H . . A . 7 CYS HA . . . 8 . HN . . . . . 7 . HA . . rr_6qyw 1
4 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 LEU HA H . . . . . 3.1 2.5 3.7 . . . . . A . 7 CYS H . . A . 6 LEU HA . . . 7 . HN . . . . . 6 . HA . . rr_6qyw 1
4 2 OR . 1 1 4 4 ILE H H . . . 1 1 6 6 LEU HA H . . . . . 3.1 2.5 3.7 . . . . . A . 4 ILE H . . A . 6 LEU HA . . . 4 . HN . . . . . 6 . HA . . rr_6qyw 1
5 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 CYS HB3 H . . . . . 3.9 3.1 4.7 . . . . . A . 8 ALA H . . A . 7 CYS HB3 . . . 8 . HN . . . . . 7 . HB1 . . rr_6qyw 1
6 1 . . 1 1 4 4 ILE HG13 H . . . 1 1 1 1 ILE HA H . . . . . 3.4 2.7 4.1 . . . . . A . 4 ILE HG13 . . A . 1 ILE HA . . . 4 . HG11 . . . . . 1 . HA . . rr_6qyw 1
7 1 . . 1 1 7 7 CYS HB3 H . . . 1 1 3 3 DAL HA H . . . . . 3.9 3.1 4.7 . . . . . A . 7 CYS HB3 . . A . 3 DAL HA . . . 7 . HB1 . . . . . 3 . HA . . rr_6qyw 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Restraints file 1: noe.tbl" 1 1 1 28 rr_6qyw 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;interresidue
i-i+1
;
2 1 3 7 rr_6qyw 1
2 i-i+3 15 1 15 7 rr_6qyw 1
3 i-i+4 18 1 18 7 rr_6qyw 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyw 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyw 1
3 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" rr_6qyw 1
4 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" rr_6qyw 1
5 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HB' (nmrStar names) not linked" rr_6qyw 1
6 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .3.HB#' (nmrStar names) not linked" rr_6qyw 1
7 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyw 1
8 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyw 1
9 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.H#' (nmrStar names) not linked" rr_6qyw 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_6qyw
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_6qyw 1
stop_
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 2 . OR rr_6qyw 1
1 2 . 3 . rr_6qyw 1
1 3 . . . rr_6qyw 1
2 1 2 . OR rr_6qyw 1
2 2 . 3 . rr_6qyw 1
2 3 . . . rr_6qyw 1
3 1 . . . rr_6qyw 1
4 1 2 . OR rr_6qyw 1
4 2 . 3 . rr_6qyw 1
4 3 . . . rr_6qyw 1
5 1 . . . rr_6qyw 1
6 1 . . . rr_6qyw 1
7 1 . . . rr_6qyw 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_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 2 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6qyw 1
1 2 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyw 1
1 3 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6qyw 1
1 3 . 2 . 1 1 4 4 ILE H H . . . . 4 . HN rr_6qyw 1
2 2 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyw 1
2 2 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyw 1
2 3 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyw 1
2 3 . 2 . 1 1 4 4 ILE H H . . . . 4 . HN rr_6qyw 1
3 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyw 1
3 1 . 2 . 1 1 7 7 CYS HA H . . . . 7 . HA rr_6qyw 1
4 2 . 1 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyw 1
4 2 . 2 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_6qyw 1
4 3 . 1 . 1 1 4 4 ILE H H . . . . 4 . HN rr_6qyw 1
4 3 . 2 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_6qyw 1
5 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyw 1
5 1 . 2 . 1 1 7 7 CYS HB3 H . . . . 7 . HB1 rr_6qyw 1
6 1 . 1 . 1 1 4 4 ILE HG13 H . . . . 4 . HG11 rr_6qyw 1
6 1 . 2 . 1 1 1 1 ILE HA H . . . . 1 . HA rr_6qyw 1
7 1 . 1 . 1 1 7 7 CYS HB3 H . . . . 7 . HB1 rr_6qyw 1
7 1 . 2 . 1 1 3 3 DAL HA H . . . . 3 . HA rr_6qyw 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.Spectral_peak_list_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 2 . . . . . . 4.0 3.2 4.8 rr_6qyw 1
1 3 . . . . . . 4.0 3.2 4.8 rr_6qyw 1
2 2 . . . . . . 3.8 3.0 4.6 rr_6qyw 1
2 3 . . . . . . 3.8 3.0 4.6 rr_6qyw 1
3 1 . . . . . . 3.2 2.6 3.8 rr_6qyw 1
4 2 . . . . . . 3.1 2.5 3.7 rr_6qyw 1
4 3 . . . . . . 3.1 2.5 3.7 rr_6qyw 1
5 1 . . . . . . 3.9 3.1 4.7 rr_6qyw 1
6 1 . . . . . . 3.4 2.7 4.1 rr_6qyw 1
7 1 . . . . . . 3.9 3.1 4.7 rr_6qyw 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: noe.tbl" 1 1 1 28 rr_6qyw 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;interresidue
i-i+1
;
2 1 3 7 rr_6qyw 1
2 i-i+3 15 1 15 7 rr_6qyw 1
3 i-i+4 18 1 18 7 rr_6qyw 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyw 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyw 1
3 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" rr_6qyw 1
4 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" rr_6qyw 1
5 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HB' (nmrStar names) not linked" rr_6qyw 1
6 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .3.HB#' (nmrStar names) not linked" rr_6qyw 1
7 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyw 1
8 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyw 1
9 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.H#' (nmrStar names) not linked" rr_6qyw 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Entry_ID rr_6qyw
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_6qyw 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_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_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_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_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_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_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_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.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 5 5 DHA C C . . 1 1 6 6 LEU N N . . 1 1 6 6 LEU CA C . . 1 1 6 6 LEU C C . -175.7 -15.7 . . . A . 5 DHA C . . A . 6 LEU N . . A . 6 LEU CA . . A . 6 LEU C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_6qyw 1
2 . . 1 1 7 7 CYS C C . . 1 1 8 8 ALA N N . . 1 1 8 8 ALA CA C . . 1 1 8 8 ALA C C . -146.3 -26.3 . . . A . 7 CYS C . . A . 8 ALA N . . A . 8 ALA CA . . A . 8 ALA C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_6qyw 1
3 . . 1 1 3 3 DAL C C . . 1 1 4 4 ILE N N . . 1 1 4 4 ILE CA C . . 1 1 4 4 ILE C C . -165.6 -45.6 . . . A . 3 DAL C . . A . 4 ILE N . . A . 4 ILE CA . . A . 4 ILE C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_6qyw 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: dihe.tbl" 1 1 1 29 rr_6qyw 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;phi
calc
;
2 1 3 6 rr_6qyw 1
2 pred 10 1 10 6 rr_6qyw 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 3 1 1 "Not handling restraint 1, resonance(s) ' .2.C' (nmrStar names) not linked" rr_6qyw 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_6qyw
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
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_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER ANTIBIOTIC 09-MAR-19 6QYW *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - NISIN RING A *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; *SOURCE 4 ORGANISM_TAXID: 1358 *KEYWDS PEPTIDE ANTIBIOTIC, LANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN, *KEYWDS 2 THIOESTER, ANTIBIOTIC *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR R.DICKMAN,S.A.MITCHELL,A.FIGUEIREDO,D.F.HANSEN,A.B.TABOR *REVDAT 1 11-SEP-19 6QYW 0"
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