data_c30747_6wpv save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30747_6wpv _Entry.Title ; Solution NMR structure of the orbitide xanthoxycyclin D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-28 _Entry.Accession_date 2020-04-28 _Entry.Last_release_date 2020-04-29 _Entry.Original_release_date 2020-04-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Rosengren K. J. . . c30747_6wpv 2 C. Payne C. D. . . c30747_6wpv stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PLANT PROTEIN' . c30747_6wpv 'cyclic plant peptide' . c30747_6wpv orbitide . c30747_6wpv stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30747_6wpv spectral_peak_list 1 c30747_6wpv stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 20 c30747_6wpv '1H chemical shifts' 45 c30747_6wpv stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-08-18 . original BMRB . c30747_6wpv stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6WPV 'BMRB Entry Tracking System' c30747_6wpv stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30747_6wpv _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The genetic origin of evolidine, the first cyclopeptide discovered in plants, and related orbitides ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Fisher M. F. . . c30747_6wpv 1 2 T. Chetty T. . . . c30747_6wpv 1 3 C. Payne C. D. . . c30747_6wpv 1 4 D. Crayn D. . . . c30747_6wpv 1 5 O. Berkowitz O. . . . c30747_6wpv 1 6 K. Rosengren K. J. . . c30747_6wpv 1 7 J. Whelan J. . . . c30747_6wpv 1 8 J. Mylne J. S. . . c30747_6wpv 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30747_6wpv _Assembly.ID 1 _Assembly.Name 'Xanthoxycyclin D' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 unit_1 1 $entity_1 A A yes . . . . . . c30747_6wpv 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30747_6wpv _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTVAVQFL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 833.971 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . c30747_6wpv 1 2 . THR . c30747_6wpv 1 3 . VAL . c30747_6wpv 1 4 . ALA . c30747_6wpv 1 5 . VAL . c30747_6wpv 1 6 . GLN . c30747_6wpv 1 7 . PHE . c30747_6wpv 1 8 . LEU . c30747_6wpv 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 . GLY 1 1 c30747_6wpv 1 . THR 2 2 c30747_6wpv 1 . VAL 3 3 c30747_6wpv 1 . ALA 4 4 c30747_6wpv 1 . VAL 5 5 c30747_6wpv 1 . GLN 6 6 c30747_6wpv 1 . PHE 7 7 c30747_6wpv 1 . LEU 8 8 c30747_6wpv 1 stop_ save_ save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c30747_6wpv _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1312821 organism . 'Melicope xanthoxyloides' 'Melicope xanthoxyloides' . . Eukaryota Viridiplantae Melicope xanthoxyloides . . . . . . . . . . . . . c30747_6wpv 1 stop_ save_ save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c30747_6wpv _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30747_6wpv 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30747_6wpv _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '8 mg/mL Xanthoxycyclin D, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Xanthoxycyclin D' 'natural abundance' 1 $assembly 1 $entity_1 . . 8 . . mg/mL 0.2 . . . c30747_6wpv 1 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c30747_6wpv _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM c30747_6wpv 1 pH 3.5 . pH c30747_6wpv 1 pressure 1 . atm c30747_6wpv 1 temperature 298 . K c30747_6wpv 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30747_6wpv _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . c30747_6wpv 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement c30747_6wpv 1 . 'structure calculation' c30747_6wpv 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30747_6wpv _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c30747_6wpv 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement c30747_6wpv 2 . 'structure calculation' c30747_6wpv 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30747_6wpv _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . c30747_6wpv 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' c30747_6wpv 3 . 'peak picking' c30747_6wpv 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID c30747_6wpv _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 4.0.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c30747_6wpv 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing c30747_6wpv 4 stop_ save_ save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30747_6wpv _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c30747_6wpv _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . c30747_6wpv 1 stop_ save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c30747_6wpv _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30747_6wpv 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30747_6wpv 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30747_6wpv 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30747_6wpv 1 stop_ save_ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30747_6wpv _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.769 internal indirect 0.25144953 . . . . . c30747_6wpv 1 H 1 water protons . . . . ppm 4.769 internal direct 1 . . . . . c30747_6wpv 1 stop_ save_ save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30747_6wpv _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c30747_6wpv 1 2 '2D 1H-1H NOESY' . . . c30747_6wpv 1 3 '2D DQF-COSY' . . . c30747_6wpv 1 4 '2D 1H-13C HSQC' . . . c30747_6wpv 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.119 0.000 . 1 . . . . A 1 GLY H1 . c30747_6wpv 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.842 0.000 . 2 . . . . A 1 GLY HA2 . c30747_6wpv 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.096 0.000 . 2 . . . . A 1 GLY HA3 . c30747_6wpv 1 4 . 1 . 1 1 1 GLY CA C 13 45.643 0.000 . 1 . . . . A 1 GLY CA . c30747_6wpv 1 5 . 1 . 1 2 2 THR H H 1 7.535 0.000 . 1 . . . . A 2 THR H . c30747_6wpv 1 6 . 1 . 1 2 2 THR HA H 1 4.718 0.000 . 1 . . . . A 2 THR HA . c30747_6wpv 1 7 . 1 . 1 2 2 THR HB H 1 4.522 0.000 . 1 . . . . A 2 THR HB . c30747_6wpv 1 8 . 1 . 1 2 2 THR HG21 H 1 1.060 0.000 . 1 . . . . A 2 THR HG21 . c30747_6wpv 1 9 . 1 . 1 2 2 THR HG22 H 1 1.060 0.000 . 1 . . . . A 2 THR HG22 . c30747_6wpv 1 10 . 1 . 1 2 2 THR HG23 H 1 1.060 0.000 . 1 . . . . A 2 THR HG23 . c30747_6wpv 1 11 . 1 . 1 2 2 THR CB C 13 71.624 0.000 . 1 . . . . A 2 THR CB . c30747_6wpv 1 12 . 1 . 1 2 2 THR CG2 C 13 21.417 0.000 . 1 . . . . A 2 THR CG2 . c30747_6wpv 1 13 . 1 . 1 3 3 VAL H H 1 8.247 0.001 . 1 . . . . A 3 VAL H . c30747_6wpv 1 14 . 1 . 1 3 3 VAL HA H 1 3.706 0.000 . 1 . . . . A 3 VAL HA . c30747_6wpv 1 15 . 1 . 1 3 3 VAL HB H 1 2.006 0.000 . 1 . . . . A 3 VAL HB . c30747_6wpv 1 16 . 1 . 1 3 3 VAL HG21 H 1 0.932 0.000 . 2 . . . . A 3 VAL HG21 . c30747_6wpv 1 17 . 1 . 1 3 3 VAL HG22 H 1 0.932 0.000 . 2 . . . . A 3 VAL HG22 . c30747_6wpv 1 18 . 1 . 1 3 3 VAL HG23 H 1 0.932 0.000 . 2 . . . . A 3 VAL HG23 . c30747_6wpv 1 19 . 1 . 1 3 3 VAL CA C 13 64.980 0.000 . 1 . . . . A 3 VAL CA . c30747_6wpv 1 20 . 1 . 1 3 3 VAL CB C 13 31.535 0.000 . 1 . . . . A 3 VAL CB . c30747_6wpv 1 21 . 1 . 1 3 3 VAL CG1 C 13 21.487 0.000 . 2 . . . . A 3 VAL CG1 . c30747_6wpv 1 22 . 1 . 1 3 3 VAL CG2 C 13 20.811 0.000 . 2 . . . . A 3 VAL CG2 . c30747_6wpv 1 23 . 1 . 1 4 4 ALA H H 1 7.858 0.000 . 1 . . . . A 4 ALA H . c30747_6wpv 1 24 . 1 . 1 4 4 ALA HA H 1 4.219 0.000 . 1 . . . . A 4 ALA HA . c30747_6wpv 1 25 . 1 . 1 4 4 ALA HB1 H 1 1.382 0.000 . 1 . . . . A 4 ALA HB1 . c30747_6wpv 1 26 . 1 . 1 4 4 ALA HB2 H 1 1.382 0.000 . 1 . . . . A 4 ALA HB2 . c30747_6wpv 1 27 . 1 . 1 4 4 ALA HB3 H 1 1.382 0.000 . 1 . . . . A 4 ALA HB3 . c30747_6wpv 1 28 . 1 . 1 4 4 ALA CA C 13 53.580 0.000 . 1 . . . . A 4 ALA CA . c30747_6wpv 1 29 . 1 . 1 4 4 ALA CB C 13 19.646 0.000 . 1 . . . . A 4 ALA CB . c30747_6wpv 1 30 . 1 . 1 5 5 VAL H H 1 7.605 0.000 . 1 . . . . A 5 VAL H . c30747_6wpv 1 31 . 1 . 1 5 5 VAL HA H 1 4.092 0.000 . 1 . . . . A 5 VAL HA . c30747_6wpv 1 32 . 1 . 1 5 5 VAL HB H 1 1.969 0.000 . 1 . . . . A 5 VAL HB . c30747_6wpv 1 33 . 1 . 1 5 5 VAL HG21 H 1 0.697 0.000 . 2 . . . . A 5 VAL HG21 . c30747_6wpv 1 34 . 1 . 1 5 5 VAL HG22 H 1 0.697 0.000 . 2 . . . . A 5 VAL HG22 . c30747_6wpv 1 35 . 1 . 1 5 5 VAL HG23 H 1 0.697 0.000 . 2 . . . . A 5 VAL HG23 . c30747_6wpv 1 36 . 1 . 1 5 5 VAL CA C 13 60.994 0.000 . 1 . . . . A 5 VAL CA . c30747_6wpv 1 37 . 1 . 1 5 5 VAL CB C 13 32.747 0.000 . 1 . . . . A 5 VAL CB . c30747_6wpv 1 38 . 1 . 1 5 5 VAL CG1 C 13 19.949 0.000 . 2 . . . . A 5 VAL CG1 . c30747_6wpv 1 39 . 1 . 1 5 5 VAL CG2 C 13 22.303 0.000 . 2 . . . . A 5 VAL CG2 . c30747_6wpv 1 40 . 1 . 1 6 6 GLN H H 1 8.831 0.000 . 1 . . . . A 6 GLN H . c30747_6wpv 1 41 . 1 . 1 6 6 GLN HA H 1 4.168 0.000 . 1 . . . . A 6 GLN HA . c30747_6wpv 1 42 . 1 . 1 6 6 GLN HB2 H 1 2.061 0.000 . 2 . . . . A 6 GLN HB2 . c30747_6wpv 1 43 . 1 . 1 6 6 GLN HB3 H 1 2.061 0.000 . 2 . . . . A 6 GLN HB3 . c30747_6wpv 1 44 . 1 . 1 6 6 GLN HG2 H 1 2.399 0.000 . 2 . . . . A 6 GLN HG2 . c30747_6wpv 1 45 . 1 . 1 6 6 GLN HG3 H 1 2.315 0.000 . 2 . . . . A 6 GLN HG3 . c30747_6wpv 1 46 . 1 . 1 6 6 GLN CA C 13 59.712 0.000 . 1 . . . . A 6 GLN CA . c30747_6wpv 1 47 . 1 . 1 6 6 GLN CB C 13 27.898 0.000 . 1 . . . . A 6 GLN CB . c30747_6wpv 1 48 . 1 . 1 6 6 GLN CG C 13 33.633 0.000 . 1 . . . . A 6 GLN CG . c30747_6wpv 1 49 . 1 . 1 7 7 PHE H H 1 8.319 0.000 . 1 . . . . A 7 PHE H . c30747_6wpv 1 50 . 1 . 1 7 7 PHE HA H 1 4.506 0.000 . 1 . . . . A 7 PHE HA . c30747_6wpv 1 51 . 1 . 1 7 7 PHE HB2 H 1 3.304 0.000 . 2 . . . . A 7 PHE HB2 . c30747_6wpv 1 52 . 1 . 1 7 7 PHE HB3 H 1 2.969 0.000 . 2 . . . . A 7 PHE HB3 . c30747_6wpv 1 53 . 1 . 1 7 7 PHE HD1 H 1 7.225 0.000 . 3 . . . . A 7 PHE HD1 . c30747_6wpv 1 54 . 1 . 1 7 7 PHE HD2 H 1 7.225 0.000 . 3 . . . . A 7 PHE HD2 . c30747_6wpv 1 55 . 1 . 1 7 7 PHE HE1 H 1 7.351 0.000 . 3 . . . . A 7 PHE HE1 . c30747_6wpv 1 56 . 1 . 1 7 7 PHE HE2 H 1 7.351 0.000 . 3 . . . . A 7 PHE HE2 . c30747_6wpv 1 57 . 1 . 1 7 7 PHE CA C 13 59.362 0.000 . 1 . . . . A 7 PHE CA . c30747_6wpv 1 58 . 1 . 1 7 7 PHE CB C 13 38.319 0.000 . 1 . . . . A 7 PHE CB . c30747_6wpv 1 59 . 1 . 1 8 8 LEU H H 1 7.288 0.000 . 1 . . . . A 8 LEU H . c30747_6wpv 1 60 . 1 . 1 8 8 LEU HA H 1 4.413 0.000 . 1 . . . . A 8 LEU HA . c30747_6wpv 1 61 . 1 . 1 8 8 LEU HB2 H 1 1.696 0.000 . 2 . . . . A 8 LEU HB2 . c30747_6wpv 1 62 . 1 . 1 8 8 LEU HB3 H 1 1.611 0.000 . 2 . . . . A 8 LEU HB3 . c30747_6wpv 1 63 . 1 . 1 8 8 LEU HG H 1 1.283 0.000 . 1 . . . . A 8 LEU HG . c30747_6wpv 1 64 . 1 . 1 8 8 LEU CA C 13 54.070 0.000 . 1 . . . . A 8 LEU CA . c30747_6wpv 1 65 . 1 . 1 8 8 LEU CG C 13 26.313 0.000 . 1 . . . . A 8 LEU CG . c30747_6wpv 1 stop_ save_ save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c30747_6wpv _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 1H #INAME 2 1H 2 4.096 8.119 1 U 1.933e+05 0.00e+00 e 0 4 2 0 3 3.842 8.119 1 U 1.968e+05 0.00e+00 e 0 5 2 0 4 4.506 8.319 1 U 2.896e+03 0.00e+00 e 0 88 86 0 5 3.304 8.319 3 U 0.000e+00 0.00e+00 - 0 90 86 0 6 2.969 8.319 3 U 0.000e+00 0.00e+00 - 0 91 86 0 7 4.413 7.288 1 U 1.209e+05 0.00e+00 e 0 111 109 0 8 1.696 7.288 1 U 1.598e+04 0.00e+00 e 0 113 109 0 9 1.611 7.288 1 U 7.282e+04 0.00e+00 e 0 114 109 0 10 1.283 7.288 1 U 4.772e+04 0.00e+00 e 0 117 109 0 11 0.846 7.288 1 U 2.190e+04 0.00e+00 e 0 128 109 0 12 1.969 7.605 1 U 1.176e+05 0.00e+00 e 0 54 50 0 13 0.771 7.605 1 U 3.346e+04 0.00e+00 e 0 55 50 0 14 0.697 7.605 1 U 1.643e+04 0.00e+00 e 0 56 50 0 15 4.092 7.605 1 U 1.375e+05 0.00e+00 e 0 52 50 0 16 3.706 8.247 1 U 6.585e+04 0.00e+00 e 0 24 22 0 17 2.006 8.247 1 U 8.188e+04 0.00e+00 e 0 26 22 0 18 1.003 8.247 1 U 2.730e+04 0.00e+00 e 0 27 22 0 19 0.932 8.247 3 U 0.000e+00 0.00e+00 - 0 28 22 0 20 4.219 7.858 1 U 1.364e+05 0.00e+00 e 0 42 40 0 21 1.382 7.858 1 U 2.288e+04 0.00e+00 e 0 43 40 0 22 4.522 7.535 1 U 3.095e+04 0.00e+00 e 0 13 9 0 23 1.060 7.535 1 U 4.629e+04 0.00e+00 e 0 14 9 0 24 3.842 7.535 1 U 4.394e+04 0.00e+00 e 0 5 9 0 25 4.096 7.535 1 U 4.115e+04 0.00e+00 e 0 4 9 0 26 4.168 7.535 4 U 3.520e+04 0.00e+00 e 0 70 9 0 27 4.522 8.247 3 U 1.875e+05 0.00e+00 e 0 13 22 0 28 4.506 7.288 1 U 4.236e+04 0.00e+00 e 0 88 109 0 29 3.304 7.288 1 U 7.304e+03 0.00e+00 e 0 90 109 0 30 2.969 7.288 1 U 1.243e+04 0.00e+00 e 0 91 109 0 31 1.969 7.288 1 U 1.507e+04 0.00e+00 e 0 54 109 0 32 4.219 7.605 1 U 4.265e+04 0.00e+00 e 0 42 50 0 33 1.382 7.605 1 U 4.613e+04 0.00e+00 e 0 43 50 0 34 4.168 8.831 3 U 0.000e+00 0.00e+00 - 0 70 68 0 35 2.399 8.831 3 U 0.000e+00 0.00e+00 - 0 76 68 0 36 2.315 8.831 3 U 0.000e+00 0.00e+00 - 0 77 68 0 37 2.061 8.831 3 U 0.000e+00 0.00e+00 - 0 74 68 0 38 0.697 7.288 1 U 1.958e+04 0.00e+00 e 0 56 109 0 39 1.003 7.858 1 U 1.226e+04 0.00e+00 e 0 27 40 0 40 1.060 7.858 1 U 6.773e+03 0.00e+00 e 0 14 40 0 41 1.060 8.247 1 U 2.256e+04 0.00e+00 e 0 14 22 0 42 1.382 8.247 1 U 8.279e+03 0.00e+00 e 0 43 22 0 43 0.846 8.119 1 U 1.251e+04 0.00e+00 e 0 128 2 0 44 0.697 8.119 1 U 4.523e+03 0.00e+00 e 0 56 2 0 45 4.413 8.119 1 U 4.520e+04 0.00e+00 e 0 111 2 0 46 0.771 7.858 1 U 7.565e+03 0.00e+00 e 0 55 40 0 47 2.006 7.858 1 U 6.454e+04 0.00e+00 e 0 26 40 0 48 3.706 7.858 1 U 1.798e+04 0.00e+00 e 0 24 40 0 49 4.522 7.858 3 U 4.886e+04 0.00e+00 e 0 13 40 0 51 4.506 8.119 2 U 1.557e+04 0.00e+00 e 0 88 2 0 52 4.718 7.535 1 U 3.036e+04 0.00e+00 e 0 11 9 0 53 4.092 8.831 1 U 3.455e+03 0.00e+00 e 0 52 68 0 54 4.522 7.605 3 U 2.544e+04 0.00e+00 e 0 13 50 0 55 1.969 7.535 1 U 1.034e+04 0.00e+00 e 0 54 9 0 56 1.611 7.535 1 U 1.342e+04 0.00e+00 e 0 114 9 0 57 1.696 7.535 1 U 4.381e+03 0.00e+00 e 0 113 9 0 58 1.611 8.119 1 U 5.290e+03 0.00e+00 e 0 114 2 0 59 1.696 8.119 1 U 1.388e+03 0.00e+00 e 0 113 2 0 60 1.060 8.119 1 U 5.524e+03 0.00e+00 e 0 14 2 0 61 1.060 7.605 1 U 1.193e+04 0.00e+00 e 0 14 50 0 62 0.846 7.225 1 U 7.462e+04 0.00e+00 e 0 128 93 0 63 0.771 7.225 1 U 7.346e+03 0.00e+00 e 0 55 93 0 64 0.697 7.225 1 U 2.064e+04 0.00e+00 e 0 56 93 0 65 0.846 7.306 1 U 3.971e+04 0.00e+00 e 0 128 102 0 66 0.771 7.306 1 U 4.314e+03 0.00e+00 e 0 55 102 0 67 0.697 7.306 1 U 7.321e+03 0.00e+00 e 0 56 102 0 68 0.846 7.351 1 U 6.522e+04 0.00e+00 e 0 128 94 0 69 0.697 7.351 1 U 2.069e+04 0.00e+00 e 0 56 94 0 70 3.304 7.351 3 U 0.000e+00 0.00e+00 - 0 90 94 0 71 2.969 7.351 3 U 0.000e+00 0.00e+00 - 0 91 94 0 72 2.969 7.225 1 U 0.000e+00 0.00e+00 e 0 91 93 0 73 3.304 7.225 1 U 0.000e+00 0.00e+00 e 0 90 93 0 74 4.506 7.225 1 U 0.000e+00 0.00e+00 e 0 88 93 0 76 0.846 7.535 1 U 6.920e+03 0.00e+00 e 0 128 9 0 77 0.697 7.535 1 U 2.193e+03 0.00e+00 e 0 56 9 0 79 3.304 7.288 3 U 0.000e+00 0.00e+00 - 0 90 109 0 80 2.969 7.288 2 U 3.077e+03 0.00e+00 e 0 91 109 0 81 0.771 7.351 1 U 1.691e+04 0.00e+00 e 0 55 94 0 82 4.096 3.842 1 U 1.750e+06 0.00e+00 e 0 4 5 0 83 4.718 4.522 3 U 0.000e+00 0.00e+00 - 0 11 13 0 84 4.718 1.060 1 U 4.149e+04 0.00e+00 e 0 11 14 0 85 4.522 1.060 1 U 1.754e+05 0.00e+00 e 0 13 14 0 86 3.706 2.006 1 U 1.154e+05 0.00e+00 e 0 24 26 0 87 3.706 1.003 1 U 4.207e+04 0.00e+00 e 0 24 27 0 88 3.706 0.932 1 U 3.993e+04 0.00e+00 e 0 24 28 0 89 2.006 1.003 1 U 6.068e+04 0.00e+00 e 0 26 27 0 90 2.006 0.932 1 U 6.775e+05 0.00e+00 e 0 26 28 0 91 1.003 0.932 3 U 0.000e+00 0.00e+00 - 0 27 28 0 92 4.219 1.382 1 U 7.298e+05 0.00e+00 e 0 42 43 0 93 4.092 1.969 1 U 0.000e+00 0.00e+00 e 0 52 54 0 94 4.092 0.771 1 U 4.433e+04 0.00e+00 e 0 52 55 0 95 4.092 0.697 1 U 1.553e+05 0.00e+00 e 0 52 56 0 96 1.969 0.771 1 U 1.309e+05 0.00e+00 e 0 54 55 0 97 1.969 0.697 1 U 3.745e+05 0.00e+00 e 0 54 56 0 98 0.771 0.697 3 U 0.000e+00 0.00e+00 - 0 55 56 0 99 4.168 2.399 3 U 0.000e+00 0.00e+00 - 0 70 76 0 100 4.168 2.315 3 U 0.000e+00 0.00e+00 - 0 70 77 0 101 4.168 2.061 1 U 2.570e+04 0.00e+00 e 0 70 74 0 102 2.399 2.315 1 U 5.795e+06 0.00e+00 e 0 76 77 0 103 2.399 2.061 3 U 0.000e+00 0.00e+00 - 0 76 74 0 104 2.315 2.061 1 U 0.000e+00 0.00e+00 e 0 77 74 0 105 4.506 3.304 3 U 5.829e+04 0.00e+00 e 0 88 90 0 106 4.506 2.969 3 U 1.043e+05 0.00e+00 e 0 88 91 0 107 3.304 2.969 3 U 3.703e+05 0.00e+00 e 0 90 91 0 108 4.413 1.696 1 U 1.207e+05 0.00e+00 e 0 111 113 0 109 4.413 1.611 1 U 2.389e+05 0.00e+00 e 0 111 114 0 110 4.413 1.283 1 U 1.978e+04 0.00e+00 e 0 111 117 0 111 4.413 0.846 1 U 1.525e+05 0.00e+00 e 0 111 128 0 112 1.611 1.696 1 U 5.815e+06 0.00e+00 e 0 114 113 0 113 1.696 1.283 1 U 3.924e+04 0.00e+00 e 0 113 117 0 114 1.696 0.846 1 U 0.000e+00 0.00e+00 e 0 113 128 0 115 1.611 1.283 3 U 3.443e+05 0.00e+00 e 0 114 117 0 116 1.611 0.846 1 U 1.791e+05 0.00e+00 e 0 114 128 0 117 1.283 0.846 1 U 1.952e+06 0.00e+00 e 0 117 128 0 118 7.535 8.119 1 U 3.923e+04 0.00e+00 e 0 9 2 0 119 7.288 8.119 1 U 9.822e+04 0.00e+00 e 0 109 2 0 120 8.119 7.535 1 U 3.770e+04 0.00e+00 e 0 2 9 0 121 7.605 7.858 1 U 9.877e+04 0.00e+00 e 0 50 40 0 124 7.858 8.247 1 U 3.065e+04 0.00e+00 e 0 40 22 0 125 5.159 7.858 1 U 8.677e+04 0.00e+00 e 0 15 40 0 126 5.159 8.245 1 U 1.032e+04 0.00e+00 e 0 15 22 0 127 5.159 7.605 1 U 5.734e+03 0.00e+00 e 0 15 50 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 11.9967 ppm . . . 4.769 . . c30747_6wpv 1 2 . . H 1 H . . 11.9967 ppm . . . 4.769 . . c30747_6wpv 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c30747_6wpv _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 20 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 c30747_6wpv _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 . . . c30747_6wpv 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 . . . . c30747_6wpv 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 GLY C C 3.007 -3.057 -0.376 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 1 . 2 . 1 1 1 GLY CA C 3.971 -2.011 -0.872 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 1 . 3 . 1 1 1 GLY H1 H 3.063 -0.143 -1.117 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 1 . 4 . 1 1 1 GLY HA2 H 4.020 -2.067 -1.950 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 1 . 5 . 1 1 1 GLY HA3 H 4.949 -2.213 -0.464 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 1 . 6 . 1 1 1 GLY N N 3.594 -0.682 -0.497 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 1 . 7 . 1 1 1 GLY O O 3.316 -4.244 -0.399 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 1 . 8 . 1 1 2 THR C C -0.326 -3.557 -0.409 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 1 . 9 . 1 1 2 THR CA C 0.857 -3.560 0.554 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 1 . 10 . 1 1 2 THR CB C 0.382 -3.187 1.978 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 1 . 11 . 1 1 2 THR CG2 C 1.537 -3.241 2.971 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 1 . 12 . 1 1 2 THR H H 1.621 -1.682 0.092 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 1 . 13 . 1 1 2 THR HA H 1.298 -4.546 0.572 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 1 . 14 . 1 1 2 THR HB H -0.374 -3.895 2.284 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 1 . 15 . 1 1 2 THR HG1 H -0.562 -1.743 2.858 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 1 . 16 . 1 1 2 THR HG21 H 2.302 -2.543 2.666 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 1 . 17 . 1 1 2 THR HG22 H 1.949 -4.240 2.994 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 1 . 18 . 1 1 2 THR HG23 H 1.180 -2.975 3.955 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 1 . 19 . 1 1 2 THR N N 1.850 -2.636 0.078 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 1 . 20 . 1 1 2 THR O O -0.310 -2.826 -1.417 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 1 . 21 . 1 1 2 THR OG1 O -0.183 -1.872 1.980 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 1 . 22 . 1 1 3 VAL C C -3.415 -3.208 -0.652 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 1 . 23 . 1 1 3 VAL CA C -2.519 -4.400 -0.969 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 1 . 24 . 1 1 3 VAL CB C -3.327 -5.721 -0.770 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 1 . 25 . 1 1 3 VAL CG1 C -4.503 -5.805 -1.736 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 1 . 26 . 1 1 3 VAL CG2 C -2.431 -6.939 -0.919 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 1 . 27 . 1 1 3 VAL H H -1.325 -4.903 0.688 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 1 . 28 . 1 1 3 VAL HA H -2.195 -4.332 -1.998 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 1 . 29 . 1 1 3 VAL HB H -3.731 -5.715 0.232 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 1 . 30 . 1 1 3 VAL HG11 H -4.137 -5.782 -2.752 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 1 . 31 . 1 1 3 VAL HG12 H -5.163 -4.965 -1.574 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 1 . 32 . 1 1 3 VAL HG13 H -5.044 -6.725 -1.570 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 1 . 33 . 1 1 3 VAL HG21 H -3.015 -7.836 -0.777 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 1 . 34 . 1 1 3 VAL HG22 H -1.646 -6.901 -0.179 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 1 . 35 . 1 1 3 VAL HG23 H -1.997 -6.946 -1.907 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 1 . 36 . 1 1 3 VAL N N -1.341 -4.347 -0.122 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 1 . 37 . 1 1 3 VAL O O -3.998 -2.594 -1.549 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 1 . 38 . 1 1 4 ALA C C -3.713 -0.438 0.700 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 1 . 39 . 1 1 4 ALA CA C -4.330 -1.775 1.074 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 1 . 40 . 1 1 4 ALA CB C -4.558 -1.864 2.576 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 1 . 41 . 1 1 4 ALA H H -2.955 -3.362 1.283 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 1 . 42 . 1 1 4 ALA HA H -5.283 -1.867 0.575 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 1 . 43 . 1 1 4 ALA HB1 H -5.228 -1.075 2.887 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 1 . 44 . 1 1 4 ALA HB2 H -3.615 -1.758 3.089 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 1 . 45 . 1 1 4 ALA HB3 H -4.994 -2.823 2.817 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 1 . 46 . 1 1 4 ALA N N -3.488 -2.864 0.624 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 1 . 47 . 1 1 4 ALA O O -4.413 0.493 0.277 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 1 . 48 . 1 1 5 VAL C C -0.636 0.493 -0.536 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 1 . 49 . 1 1 5 VAL CA C -1.702 0.850 0.476 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 1 . 50 . 1 1 5 VAL CB C -1.063 1.557 1.699 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 1 . 51 . 1 1 5 VAL CG1 C -0.396 2.846 1.276 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 1 . 52 . 1 1 5 VAL CG2 C -2.098 1.844 2.759 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 1 . 53 . 1 1 5 VAL H H -1.882 -1.098 1.176 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 1 . 54 . 1 1 5 VAL HA H -2.411 1.519 0.009 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 1 . 55 . 1 1 5 VAL HB H -0.314 0.902 2.119 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 1 . 56 . 1 1 5 VAL HG11 H 0.055 3.319 2.135 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 1 . 57 . 1 1 5 VAL HG12 H -1.134 3.509 0.848 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 1 . 58 . 1 1 5 VAL HG13 H 0.365 2.635 0.541 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 1 . 59 . 1 1 5 VAL HG21 H -2.859 2.477 2.327 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 1 . 60 . 1 1 5 VAL HG22 H -1.628 2.358 3.584 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 1 . 61 . 1 1 5 VAL HG23 H -2.544 0.921 3.100 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 1 . 62 . 1 1 5 VAL N N -2.410 -0.343 0.835 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 1 . 63 . 1 1 5 VAL O O 0.463 0.039 -0.182 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 1 . 64 . 1 1 6 GLN C C 1.257 1.007 -2.834 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 1 . 65 . 1 1 6 GLN CA C -0.102 0.321 -2.897 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 1 . 66 . 1 1 6 GLN CB C -0.771 0.615 -4.225 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 1 . 67 . 1 1 6 GLN CD C -2.578 0.082 -5.859 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 1 . 68 . 1 1 6 GLN CG C -2.027 -0.181 -4.485 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 1 . 69 . 1 1 6 GLN H H -1.843 1.089 -1.973 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 1 . 70 . 1 1 6 GLN HA H 0.060 -0.745 -2.834 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 1 . 71 . 1 1 6 GLN HB2 H -1.035 1.660 -4.248 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 1 . 72 . 1 1 6 GLN HB3 H -0.070 0.416 -5.022 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 1 . 73 . 1 1 6 GLN HE21 H -1.453 -1.352 -6.600 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 1 . 74 . 1 1 6 GLN HE22 H -2.465 -0.556 -7.733 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 1 . 75 . 1 1 6 GLN HG2 H -1.800 -1.233 -4.399 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 1 . 76 . 1 1 6 GLN HG3 H -2.775 0.085 -3.753 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 1 . 77 . 1 1 6 GLN N N -0.968 0.684 -1.788 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 1 . 78 . 1 1 6 GLN NE2 N -2.124 -0.670 -6.819 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 1 . 79 . 1 1 6 GLN O O 2.277 0.388 -3.137 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 1 . 80 . 1 1 6 GLN OE1 O -3.388 0.989 -6.060 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 1 . 81 . 1 1 7 PHE C C 3.412 2.520 -1.149 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 1 . 82 . 1 1 7 PHE CA C 2.558 2.982 -2.326 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 1 . 83 . 1 1 7 PHE CB C 2.382 4.525 -2.301 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 1 . 84 . 1 1 7 PHE CD1 C 0.487 5.587 -1.013 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 1 . 85 . 1 1 7 PHE CD2 C 2.560 5.280 0.113 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 1 . 86 . 1 1 7 PHE CE1 C -0.034 6.166 0.126 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 1 . 87 . 1 1 7 PHE CE2 C 2.042 5.851 1.248 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 1 . 88 . 1 1 7 PHE CG C 1.789 5.134 -1.038 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 1 . 89 . 1 1 7 PHE CZ C 0.746 6.295 1.255 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 1 . 90 . 1 1 7 PHE H H 0.452 2.694 -2.111 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 1 . 91 . 1 1 7 PHE HA H 3.093 2.713 -3.225 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 1 . 92 . 1 1 7 PHE HB2 H 3.348 4.986 -2.446 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 1 . 93 . 1 1 7 PHE HB3 H 1.745 4.799 -3.129 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 1 . 94 . 1 1 7 PHE HD1 H -0.132 5.484 -1.891 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 1 . 95 . 1 1 7 PHE HD2 H 3.581 4.928 0.109 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 1 . 96 . 1 1 7 PHE HE1 H -1.053 6.518 0.136 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 1 . 97 . 1 1 7 PHE HE2 H 2.655 5.951 2.132 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 1 . 98 . 1 1 7 PHE HZ H 0.341 6.744 2.149 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 1 . 99 . 1 1 7 PHE N N 1.288 2.260 -2.384 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 1 . 100 . 1 1 7 PHE O O 4.575 2.870 -1.046 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 1 . 101 . 1 1 8 LEU C C 3.974 -0.163 0.655 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 1 . 102 . 1 1 8 LEU CA C 3.521 1.270 0.906 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 1 . 103 . 1 1 8 LEU CB C 2.595 1.342 2.123 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 1 . 104 . 1 1 8 LEU CD1 C 4.215 2.234 3.816 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 1 . 105 . 1 1 8 LEU CD2 C 2.149 1.032 4.559 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 1 . 106 . 1 1 8 LEU CG C 3.225 1.122 3.493 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 1 . 107 . 1 1 8 LEU H H 1.889 1.475 -0.405 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 1 . 108 . 1 1 8 LEU HA H 4.383 1.899 1.069 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 1 . 109 . 1 1 8 LEU HB2 H 2.126 2.315 2.128 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 1 . 110 . 1 1 8 LEU HB3 H 1.824 0.598 1.986 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 1 . 111 . 1 1 8 LEU HD11 H 4.636 2.066 4.796 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 1 . 112 . 1 1 8 LEU HD12 H 3.702 3.186 3.801 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 1 . 113 . 1 1 8 LEU HD13 H 5.006 2.241 3.081 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 1 . 114 . 1 1 8 LEU HD21 H 1.583 1.951 4.569 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 1 . 115 . 1 1 8 LEU HD22 H 2.611 0.881 5.524 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 1 . 116 . 1 1 8 LEU HD23 H 1.490 0.205 4.341 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 1 . 117 . 1 1 8 LEU HG H 3.765 0.188 3.473 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 1 . 118 . 1 1 8 LEU N N 2.821 1.749 -0.264 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 1 . 119 . 1 1 8 LEU O O 4.643 -0.782 1.476 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 2 . 120 . 1 1 1 GLY C C 2.992 -2.771 -0.518 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 2 . 121 . 1 1 1 GLY CA C 3.803 -1.626 -1.049 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 2 . 122 . 1 1 1 GLY H1 H 2.691 0.152 -1.170 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 2 . 123 . 1 1 1 GLY HA2 H 3.791 -1.644 -2.130 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 2 . 124 . 1 1 1 GLY HA3 H 4.820 -1.722 -0.700 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 2 . 125 . 1 1 1 GLY N N 3.283 -0.367 -0.588 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 2 . 126 . 1 1 1 GLY O O 3.493 -3.882 -0.341 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 2 . 127 . 1 1 2 THR C C -0.357 -3.459 -0.674 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 2 . 128 . 1 1 2 THR CA C 0.833 -3.468 0.253 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 2 . 129 . 1 1 2 THR CB C 0.360 -3.132 1.696 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 2 . 130 . 1 1 2 THR CG2 C 1.526 -3.130 2.674 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 2 . 131 . 1 1 2 THR H H 1.427 -1.580 -0.397 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 2 . 132 . 1 1 2 THR HA H 1.313 -4.435 0.245 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 2 . 133 . 1 1 2 THR HB H -0.359 -3.877 2.001 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 2 . 134 . 1 1 2 THR HG1 H -0.040 -1.382 0.904 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 2 . 135 . 1 1 2 THR HG21 H 1.984 -4.109 2.692 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 2 . 136 . 1 1 2 THR HG22 H 1.166 -2.882 3.662 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 2 . 137 . 1 1 2 THR HG23 H 2.256 -2.399 2.362 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 2 . 138 . 1 1 2 THR N N 1.753 -2.489 -0.234 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 2 . 139 . 1 1 2 THR O O -0.416 -2.629 -1.589 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 2 . 140 . 1 1 2 THR OG1 O -0.280 -1.844 1.715 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 2 . 141 . 1 1 3 VAL C C -3.500 -3.357 -0.663 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 2 . 142 . 1 1 3 VAL CA C -2.491 -4.350 -1.252 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 2 . 143 . 1 1 3 VAL CB C -3.094 -5.782 -1.316 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 2 . 144 . 1 1 3 VAL CG1 C -4.343 -5.832 -2.186 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 2 . 145 . 1 1 3 VAL CG2 C -2.055 -6.768 -1.830 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 2 . 146 . 1 1 3 VAL H H -1.197 -4.985 0.269 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 2 . 147 . 1 1 3 VAL HA H -2.227 -4.027 -2.250 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 2 . 148 . 1 1 3 VAL HB H -3.367 -6.077 -0.313 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 2 . 149 . 1 1 3 VAL HG11 H -4.094 -5.522 -3.189 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 2 . 150 . 1 1 3 VAL HG12 H -5.090 -5.166 -1.779 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 2 . 151 . 1 1 3 VAL HG13 H -4.730 -6.840 -2.204 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 2 . 152 . 1 1 3 VAL HG21 H -1.211 -6.781 -1.157 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 2 . 153 . 1 1 3 VAL HG22 H -1.727 -6.465 -2.812 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 2 . 154 . 1 1 3 VAL HG23 H -2.489 -7.755 -1.886 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 2 . 155 . 1 1 3 VAL N N -1.292 -4.326 -0.452 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 2 . 156 . 1 1 3 VAL O O -4.361 -2.820 -1.372 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 2 . 157 . 1 1 4 ALA C C -3.916 -0.740 0.932 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 2 . 158 . 1 1 4 ALA CA C -4.256 -2.164 1.312 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 2 . 159 . 1 1 4 ALA CB C -4.163 -2.356 2.819 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 2 . 160 . 1 1 4 ALA H H -2.612 -3.492 1.117 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 2 . 161 . 1 1 4 ALA HA H -5.263 -2.379 0.992 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 2 . 162 . 1 1 4 ALA HB1 H -4.411 -3.379 3.067 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 2 . 163 . 1 1 4 ALA HB2 H -4.854 -1.688 3.312 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 2 . 164 . 1 1 4 ALA HB3 H -3.157 -2.140 3.148 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 2 . 165 . 1 1 4 ALA N N -3.354 -3.077 0.628 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 2 . 166 . 1 1 4 ALA O O -4.793 0.082 0.690 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 2 . 167 . 1 1 5 VAL C C -1.092 0.499 -0.659 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 2 . 168 . 1 1 5 VAL CA C -2.137 0.797 0.401 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 2 . 169 . 1 1 5 VAL CB C -1.466 1.619 1.556 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 2 . 170 . 1 1 5 VAL CG1 C -0.980 2.971 1.058 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 2 . 171 . 1 1 5 VAL CG2 C -2.403 1.812 2.739 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 2 . 172 . 1 1 5 VAL H H -2.000 -1.160 1.131 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 2 . 173 . 1 1 5 VAL HA H -2.950 1.362 -0.029 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 2 . 174 . 1 1 5 VAL HB H -0.603 1.064 1.891 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 2 . 175 . 1 1 5 VAL HG11 H -0.528 3.519 1.871 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 2 . 176 . 1 1 5 VAL HG12 H -1.819 3.528 0.669 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 2 . 177 . 1 1 5 VAL HG13 H -0.253 2.826 0.273 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 2 . 178 . 1 1 5 VAL HG21 H -2.682 0.852 3.145 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 2 . 179 . 1 1 5 VAL HG22 H -3.285 2.344 2.415 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 2 . 180 . 1 1 5 VAL HG23 H -1.894 2.391 3.496 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 2 . 181 . 1 1 5 VAL N N -2.642 -0.471 0.854 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 2 . 182 . 1 1 5 VAL O O 0.001 -0.006 -0.328 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 2 . 183 . 1 1 6 GLN C C 0.788 1.284 -2.863 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 2 . 184 . 1 1 6 GLN CA C -0.508 0.503 -3.043 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 2 . 185 . 1 1 6 GLN CB C -1.169 0.871 -4.372 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 2 . 186 . 1 1 6 GLN CD C -1.921 -1.438 -5.102 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 2 . 187 . 1 1 6 GLN CG C -2.341 -0.020 -4.756 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 2 . 188 . 1 1 6 GLN H H -2.319 1.114 -2.103 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 2 . 189 . 1 1 6 GLN HA H -0.284 -0.553 -3.039 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 2 . 190 . 1 1 6 GLN HB2 H -1.527 1.888 -4.310 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 2 . 191 . 1 1 6 GLN HB3 H -0.427 0.809 -5.155 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 2 . 192 . 1 1 6 GLN HE21 H -1.720 -0.922 -6.989 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 2 . 193 . 1 1 6 GLN HE22 H -1.365 -2.572 -6.630 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 2 . 194 . 1 1 6 GLN HG2 H -3.026 -0.062 -3.922 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 2 . 195 . 1 1 6 GLN HG3 H -2.843 0.410 -5.610 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 2 . 196 . 1 1 6 GLN N N -1.424 0.752 -1.916 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 2 . 197 . 1 1 6 GLN NE2 N -1.640 -1.672 -6.358 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 2 . 198 . 1 1 6 GLN O O 1.879 0.784 -3.128 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 2 . 199 . 1 1 6 GLN OE1 O -1.855 -2.320 -4.242 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 2 . 200 . 1 1 7 PHE C C 2.719 2.748 -1.019 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 2 . 201 . 1 1 7 PHE CA C 1.752 3.370 -2.050 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 2 . 202 . 1 1 7 PHE CB C 1.185 4.720 -1.550 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 2 . 203 . 1 1 7 PHE CD1 C 3.117 6.289 -1.205 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 2 . 204 . 1 1 7 PHE CD2 C 1.975 5.430 0.697 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 2 . 205 . 1 1 7 PHE CE1 C 3.971 6.980 -0.372 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 2 . 206 . 1 1 7 PHE CE2 C 2.811 6.112 1.523 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 2 . 207 . 1 1 7 PHE CG C 2.111 5.505 -0.675 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 2 . 208 . 1 1 7 PHE CZ C 3.815 6.890 0.998 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 2 . 209 . 1 1 7 PHE H H -0.271 2.807 -2.218 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 2 . 210 . 1 1 7 PHE HA H 2.302 3.556 -2.959 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 2 . 211 . 1 1 7 PHE HB2 H 0.943 5.338 -2.401 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 2 . 212 . 1 1 7 PHE HB3 H 0.279 4.533 -0.993 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 2 . 213 . 1 1 7 PHE HD1 H 3.231 6.354 -2.276 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 2 . 214 . 1 1 7 PHE HD2 H 1.189 4.821 1.116 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 2 . 215 . 1 1 7 PHE HE1 H 4.757 7.592 -0.788 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 2 . 216 . 1 1 7 PHE HE2 H 2.671 6.022 2.590 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 2 . 217 . 1 1 7 PHE HZ H 4.475 7.421 1.666 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 2 . 218 . 1 1 7 PHE N N 0.646 2.487 -2.366 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 2 . 219 . 1 1 7 PHE O O 3.932 2.933 -1.097 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 2 . 220 . 1 1 8 LEU C C 3.623 0.106 0.594 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 2 . 221 . 1 1 8 LEU CA C 2.991 1.446 0.989 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 2 . 222 . 1 1 8 LEU CB C 2.123 1.300 2.246 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 2 . 223 . 1 1 8 LEU CD1 C 3.795 2.162 3.916 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 2 . 224 . 1 1 8 LEU CD2 C 1.849 0.776 4.677 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 2 . 225 . 1 1 8 LEU CG C 2.851 1.015 3.560 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 2 . 226 . 1 1 8 LEU H H 1.238 1.744 -0.151 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 2 . 227 . 1 1 8 LEU HA H 3.777 2.156 1.188 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 2 . 228 . 1 1 8 LEU HB2 H 1.556 2.211 2.369 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 2 . 229 . 1 1 8 LEU HB3 H 1.431 0.492 2.069 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 2 . 230 . 1 1 8 LEU HD11 H 4.547 2.268 3.149 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 2 . 231 . 1 1 8 LEU HD12 H 4.275 1.956 4.860 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 2 . 232 . 1 1 8 LEU HD13 H 3.233 3.082 3.992 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 2 . 233 . 1 1 8 LEU HD21 H 1.236 -0.080 4.436 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 2 . 234 . 1 1 8 LEU HD22 H 1.221 1.648 4.788 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 2 . 235 . 1 1 8 LEU HD23 H 2.376 0.595 5.601 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 2 . 236 . 1 1 8 LEU HG H 3.442 0.120 3.433 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 2 . 237 . 1 1 8 LEU N N 2.189 1.977 -0.097 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 2 . 238 . 1 1 8 LEU O O 4.420 -0.468 1.333 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 3 . 239 . 1 1 1 GLY C C 2.993 -2.866 -0.353 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 3 . 240 . 1 1 1 GLY CA C 3.865 -1.768 -0.918 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 3 . 241 . 1 1 1 GLY H1 H 2.923 0.094 -1.196 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 3 . 242 . 1 1 1 GLY HA2 H 3.878 -1.840 -1.995 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 3 . 243 . 1 1 1 GLY HA3 H 4.870 -1.891 -0.542 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 3 . 244 . 1 1 1 GLY N N 3.392 -0.461 -0.539 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 3 . 245 . 1 1 1 GLY O O 3.398 -4.031 -0.280 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 3 . 246 . 1 1 2 THR C C -0.240 -3.679 -0.386 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 3 . 247 . 1 1 2 THR CA C 0.889 -3.463 0.603 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 3 . 248 . 1 1 2 THR CB C 0.314 -2.992 1.974 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 3 . 249 . 1 1 2 THR CG2 C 1.428 -2.777 2.992 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 3 . 250 . 1 1 2 THR H H 1.533 -1.570 -0.046 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 3 . 251 . 1 1 2 THR HA H 1.420 -4.392 0.740 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 3 . 252 . 1 1 2 THR HB H -0.356 -3.752 2.345 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 3 . 253 . 1 1 2 THR HG1 H -0.169 -1.372 0.978 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 3 . 254 . 1 1 2 THR HG21 H 1.001 -2.448 3.929 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 3 . 255 . 1 1 2 THR HG22 H 2.111 -2.027 2.624 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 3 . 256 . 1 1 2 THR HG23 H 1.961 -3.703 3.147 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 3 . 257 . 1 1 2 THR N N 1.806 -2.507 0.053 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 3 . 258 . 1 1 2 THR O O -0.265 -3.035 -1.453 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 3 . 259 . 1 1 2 THR OG1 O -0.424 -1.777 1.814 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 3 . 260 . 1 1 3 VAL C C -3.350 -3.725 -0.647 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 3 . 261 . 1 1 3 VAL CA C -2.293 -4.803 -0.909 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 3 . 262 . 1 1 3 VAL CB C -2.897 -6.220 -0.657 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 3 . 263 . 1 1 3 VAL CG1 C -4.071 -6.502 -1.590 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 3 . 264 . 1 1 3 VAL CG2 C -1.831 -7.295 -0.811 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 3 . 265 . 1 1 3 VAL H H -1.042 -5.082 0.761 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 3 . 266 . 1 1 3 VAL HA H -1.969 -4.732 -1.938 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 3 . 267 . 1 1 3 VAL HB H -3.264 -6.251 0.358 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 3 . 268 . 1 1 3 VAL HG11 H -4.843 -5.763 -1.430 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 3 . 269 . 1 1 3 VAL HG12 H -4.467 -7.485 -1.385 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 3 . 270 . 1 1 3 VAL HG13 H -3.736 -6.455 -2.616 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 3 . 271 . 1 1 3 VAL HG21 H -1.034 -7.118 -0.105 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 3 . 272 . 1 1 3 VAL HG22 H -1.434 -7.265 -1.815 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 3 . 273 . 1 1 3 VAL HG23 H -2.267 -8.265 -0.627 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 3 . 274 . 1 1 3 VAL N N -1.146 -4.559 -0.065 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 3 . 275 . 1 1 3 VAL O O -4.078 -3.312 -1.558 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 3 . 276 . 1 1 4 ALA C C -3.973 -0.866 0.499 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 3 . 277 . 1 1 4 ALA CA C -4.371 -2.236 0.996 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 3 . 278 . 1 1 4 ALA CB C -4.522 -2.225 2.511 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 3 . 279 . 1 1 4 ALA H H -2.705 -3.529 1.236 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 3 . 280 . 1 1 4 ALA HA H -5.320 -2.506 0.558 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 3 . 281 . 1 1 4 ALA HB1 H -4.812 -3.206 2.855 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 3 . 282 . 1 1 4 ALA HB2 H -5.276 -1.506 2.794 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 3 . 283 . 1 1 4 ALA HB3 H -3.578 -1.952 2.961 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 3 . 284 . 1 1 4 ALA N N -3.380 -3.228 0.589 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 3 . 285 . 1 1 4 ALA O O -4.804 -0.070 0.074 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 3 . 286 . 1 1 5 VAL C C -0.941 0.236 -0.781 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 3 . 287 . 1 1 5 VAL CA C -2.121 0.629 0.100 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 3 . 288 . 1 1 5 VAL CB C -1.603 1.521 1.287 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 3 . 289 . 1 1 5 VAL CG1 C -1.059 2.851 0.801 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 3 . 290 . 1 1 5 VAL CG2 C -2.686 1.756 2.325 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 3 . 291 . 1 1 5 VAL H H -2.113 -1.251 1.016 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 3 . 292 . 1 1 5 VAL HA H -2.858 1.171 -0.475 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 3 . 293 . 1 1 5 VAL HB H -0.792 0.989 1.761 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 3 . 294 . 1 1 5 VAL HG11 H -1.846 3.405 0.314 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 3 . 295 . 1 1 5 VAL HG12 H -0.253 2.675 0.104 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 3 . 296 . 1 1 5 VAL HG13 H -0.690 3.416 1.644 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 3 . 297 . 1 1 5 VAL HG21 H -3.018 0.810 2.728 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 3 . 298 . 1 1 5 VAL HG22 H -3.515 2.271 1.866 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 3 . 299 . 1 1 5 VAL HG23 H -2.280 2.366 3.118 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 3 . 300 . 1 1 5 VAL N N -2.701 -0.596 0.583 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 3 . 301 . 1 1 5 VAL O O 0.118 -0.172 -0.265 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 3 . 302 . 1 1 6 GLN C C 1.139 0.847 -2.962 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 3 . 303 . 1 1 6 GLN CA C -0.040 -0.117 -3.001 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 3 . 304 . 1 1 6 GLN CB C -0.516 -0.447 -4.446 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 3 . 305 . 1 1 6 GLN CD C -2.492 1.157 -4.717 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 3 . 306 . 1 1 6 GLN CG C -1.174 0.669 -5.272 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 3 . 307 . 1 1 6 GLN H H -1.964 0.613 -2.457 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 3 . 308 . 1 1 6 GLN HA H 0.339 -1.024 -2.550 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 3 . 309 . 1 1 6 GLN HB2 H 0.338 -0.791 -5.010 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 3 . 310 . 1 1 6 GLN HB3 H -1.217 -1.267 -4.376 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 3 . 311 . 1 1 6 GLN HE21 H -2.239 2.894 -5.604 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 3 . 312 . 1 1 6 GLN HE22 H -3.691 2.708 -4.694 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 3 . 313 . 1 1 6 GLN HG2 H -0.499 1.511 -5.308 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 3 . 314 . 1 1 6 GLN HG3 H -1.334 0.304 -6.275 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 3 . 315 . 1 1 6 GLN N N -1.109 0.291 -2.089 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 3 . 316 . 1 1 6 GLN NE2 N -2.837 2.364 -5.030 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 3 . 317 . 1 1 6 GLN O O 2.265 0.472 -3.259 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 3 . 318 . 1 1 6 GLN OE1 O -3.214 0.427 -4.040 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 3 . 319 . 1 1 7 PHE C C 2.847 2.595 -1.160 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 3 . 320 . 1 1 7 PHE CA C 1.904 3.068 -2.279 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 3 . 321 . 1 1 7 PHE CB C 1.234 4.418 -1.896 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 3 . 322 . 1 1 7 PHE CD1 C 3.060 6.107 -1.459 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 3 . 323 . 1 1 7 PHE CD2 C 1.799 5.282 0.391 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 3 . 324 . 1 1 7 PHE CE1 C 3.806 6.881 -0.593 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 3 . 325 . 1 1 7 PHE CE2 C 2.534 6.050 1.253 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 3 . 326 . 1 1 7 PHE CG C 2.050 5.297 -0.977 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 3 . 327 . 1 1 7 PHE CZ C 3.541 6.851 0.765 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 3 . 328 . 1 1 7 PHE H H -0.070 2.301 -2.373 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 3 . 329 . 1 1 7 PHE HA H 2.472 3.203 -3.188 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 3 . 330 . 1 1 7 PHE HB2 H 1.049 4.985 -2.797 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 3 . 331 . 1 1 7 PHE HB3 H 0.291 4.216 -1.413 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 3 . 332 . 1 1 7 PHE HD1 H 3.264 6.129 -2.519 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 3 . 333 . 1 1 7 PHE HD2 H 1.009 4.655 0.775 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 3 . 334 . 1 1 7 PHE HE1 H 4.595 7.510 -0.975 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 3 . 335 . 1 1 7 PHE HE2 H 2.314 6.015 2.311 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 3 . 336 . 1 1 7 PHE HZ H 4.126 7.452 1.445 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 3 . 337 . 1 1 7 PHE N N 0.871 2.063 -2.527 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 3 . 338 . 1 1 7 PHE O O 4.044 2.857 -1.179 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 3 . 339 . 1 1 8 LEU C C 3.618 0.027 0.670 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 3 . 340 . 1 1 8 LEU CA C 3.028 1.417 0.947 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 3 . 341 . 1 1 8 LEU CB C 2.072 1.374 2.154 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 3 . 342 . 1 1 8 LEU CD1 C 3.625 2.272 3.898 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 3 . 343 . 1 1 8 LEU CD2 C 1.602 0.979 4.578 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 3 . 344 . 1 1 8 LEU CG C 2.688 1.137 3.530 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 3 . 345 . 1 1 8 LEU H H 1.343 1.629 -0.298 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 3 . 346 . 1 1 8 LEU HA H 3.823 2.119 1.148 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 3 . 347 . 1 1 8 LEU HB2 H 1.538 2.312 2.188 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 3 . 348 . 1 1 8 LEU HB3 H 1.356 0.588 1.968 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 3 . 349 . 1 1 8 LEU HD11 H 4.022 2.100 4.887 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 3 . 350 . 1 1 8 LEU HD12 H 3.085 3.207 3.881 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 3 . 351 . 1 1 8 LEU HD13 H 4.439 2.314 3.190 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 3 . 352 . 1 1 8 LEU HD21 H 2.057 0.814 5.544 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 3 . 353 . 1 1 8 LEU HD22 H 0.977 0.135 4.326 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 3 . 354 . 1 1 8 LEU HD23 H 1.001 1.875 4.612 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 3 . 355 . 1 1 8 LEU HG H 3.265 0.225 3.500 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 3 . 356 . 1 1 8 LEU N N 2.289 1.874 -0.214 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 3 . 357 . 1 1 8 LEU O O 4.256 -0.585 1.526 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 4 . 358 . 1 1 1 GLY C C 2.800 -2.815 -0.487 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 4 . 359 . 1 1 1 GLY CA C 3.698 -1.666 -0.882 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 4 . 360 . 1 1 1 GLY H1 H 2.476 0.023 -0.844 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 4 . 361 . 1 1 1 GLY HA2 H 3.768 -1.631 -1.958 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 4 . 362 . 1 1 1 GLY HA3 H 4.679 -1.832 -0.469 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 4 . 363 . 1 1 1 GLY N N 3.242 -0.398 -0.404 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 4 . 364 . 1 1 1 GLY O O 3.155 -3.975 -0.690 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 4 . 365 . 1 1 2 THR C C -0.431 -3.551 -0.519 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 4 . 366 . 1 1 2 THR CA C 0.729 -3.545 0.466 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 4 . 367 . 1 1 2 THR CB C 0.204 -3.314 1.904 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 4 . 368 . 1 1 2 THR CG2 C 1.345 -3.373 2.912 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 4 . 369 . 1 1 2 THR H H 1.384 -1.585 0.232 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 4 . 370 . 1 1 2 THR HA H 1.247 -4.491 0.421 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 4 . 371 . 1 1 2 THR HB H -0.513 -4.087 2.138 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 4 . 372 . 1 1 2 THR HG1 H -0.761 -1.945 2.901 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 4 . 373 . 1 1 2 THR HG21 H 1.812 -4.346 2.872 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 4 . 374 . 1 1 2 THR HG22 H 0.961 -3.198 3.906 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 4 . 375 . 1 1 2 THR HG23 H 2.075 -2.614 2.671 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 4 . 376 . 1 1 2 THR N N 1.659 -2.516 0.079 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 4 . 377 . 1 1 2 THR O O -0.443 -2.754 -1.462 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 4 . 378 . 1 1 2 THR OG1 O -0.446 -2.034 1.991 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 4 . 379 . 1 1 3 VAL C C -3.538 -3.374 -0.778 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 4 . 380 . 1 1 3 VAL CA C -2.541 -4.454 -1.212 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 4 . 381 . 1 1 3 VAL CB C -3.211 -5.862 -1.255 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 4 . 382 . 1 1 3 VAL CG1 C -4.450 -5.870 -2.145 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 4 . 383 . 1 1 3 VAL CG2 C -2.217 -6.895 -1.756 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 4 . 384 . 1 1 3 VAL H H -1.315 -5.083 0.396 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 4 . 385 . 1 1 3 VAL HA H -2.188 -4.198 -2.200 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 4 . 386 . 1 1 3 VAL HB H -3.503 -6.136 -0.252 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 4 . 387 . 1 1 3 VAL HG11 H -4.168 -5.603 -3.153 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 4 . 388 . 1 1 3 VAL HG12 H -5.166 -5.153 -1.772 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 4 . 389 . 1 1 3 VAL HG13 H -4.891 -6.855 -2.144 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 4 . 390 . 1 1 3 VAL HG21 H -1.379 -6.955 -1.079 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 4 . 391 . 1 1 3 VAL HG22 H -1.864 -6.603 -2.734 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 4 . 392 . 1 1 3 VAL HG23 H -2.700 -7.858 -1.825 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 4 . 393 . 1 1 3 VAL N N -1.386 -4.429 -0.335 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 4 . 394 . 1 1 3 VAL O O -4.227 -2.773 -1.606 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 4 . 395 . 1 1 4 ALA C C -3.917 -0.694 0.699 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 4 . 396 . 1 1 4 ALA CA C -4.450 -2.073 1.047 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 4 . 397 . 1 1 4 ALA CB C -4.602 -2.226 2.554 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 4 . 398 . 1 1 4 ALA H H -2.977 -3.590 1.125 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 4 . 399 . 1 1 4 ALA HA H -5.418 -2.201 0.584 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 4 . 400 . 1 1 4 ALA HB1 H -3.640 -2.095 3.026 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 4 . 401 . 1 1 4 ALA HB2 H -4.983 -3.211 2.782 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 4 . 402 . 1 1 4 ALA HB3 H -5.289 -1.480 2.925 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 4 . 403 . 1 1 4 ALA N N -3.566 -3.092 0.517 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 4 . 404 . 1 1 4 ALA O O -4.675 0.203 0.316 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 4 . 405 . 1 1 5 VAL C C -0.799 0.379 -0.493 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 4 . 406 . 1 1 5 VAL CA C -1.957 0.702 0.439 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 4 . 407 . 1 1 5 VAL CB C -1.425 1.496 1.686 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 4 . 408 . 1 1 5 VAL CG1 C -0.822 2.827 1.270 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 4 . 409 . 1 1 5 VAL CG2 C -2.520 1.735 2.710 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 4 . 410 . 1 1 5 VAL H H -2.041 -1.279 1.096 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 4 . 411 . 1 1 5 VAL HA H -2.674 1.309 -0.094 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 4 . 412 . 1 1 5 VAL HB H -0.646 0.906 2.148 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 4 . 413 . 1 1 5 VAL HG11 H -0.453 3.343 2.145 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 4 . 414 . 1 1 5 VAL HG12 H -1.579 3.430 0.791 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 4 . 415 . 1 1 5 VAL HG13 H -0.007 2.656 0.582 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 4 . 416 . 1 1 5 VAL HG21 H -3.312 2.312 2.256 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 4 . 417 . 1 1 5 VAL HG22 H -2.106 2.289 3.540 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 4 . 418 . 1 1 5 VAL HG23 H -2.908 0.788 3.054 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 4 . 419 . 1 1 5 VAL N N -2.609 -0.536 0.791 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 4 . 420 . 1 1 5 VAL O O 0.312 0.046 -0.045 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 4 . 421 . 1 1 6 GLN C C 1.111 1.092 -2.745 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 4 . 422 . 1 1 6 GLN CA C -0.066 0.123 -2.808 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 4 . 423 . 1 1 6 GLN CB C -0.711 0.100 -4.191 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 4 . 424 . 1 1 6 GLN CD C -2.446 -1.018 -5.680 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 4 . 425 . 1 1 6 GLN CG C -1.809 -0.948 -4.309 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 4 . 426 . 1 1 6 GLN H H -1.955 0.745 -2.060 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 4 . 427 . 1 1 6 GLN HA H 0.309 -0.864 -2.576 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 4 . 428 . 1 1 6 GLN HB2 H -1.139 1.071 -4.390 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 4 . 429 . 1 1 6 GLN HB3 H 0.045 -0.113 -4.932 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 4 . 430 . 1 1 6 GLN HE21 H -2.764 -2.936 -5.431 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 4 . 431 . 1 1 6 GLN HE22 H -3.300 -2.285 -6.930 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 4 . 432 . 1 1 6 GLN HG2 H -1.393 -1.917 -4.082 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 4 . 433 . 1 1 6 GLN HG3 H -2.575 -0.720 -3.583 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 4 . 434 . 1 1 6 GLN N N -1.059 0.448 -1.783 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 4 . 435 . 1 1 6 GLN NE2 N -2.879 -2.184 -6.052 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 4 . 436 . 1 1 6 GLN O O 2.251 0.733 -3.043 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 4 . 437 . 1 1 6 GLN OE1 O -2.538 -0.026 -6.403 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 4 . 438 . 1 1 7 PHE C C 2.855 2.846 -1.024 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 4 . 439 . 1 1 7 PHE CA C 1.803 3.337 -2.032 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 4 . 440 . 1 1 7 PHE CB C 1.071 4.604 -1.515 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 4 . 441 . 1 1 7 PHE CD1 C 2.819 6.391 -1.164 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 4 . 442 . 1 1 7 PHE CD2 C 1.713 5.476 0.739 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 4 . 443 . 1 1 7 PHE CE1 C 3.564 7.205 -0.330 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 4 . 444 . 1 1 7 PHE CE2 C 2.444 6.280 1.572 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 4 . 445 . 1 1 7 PHE CG C 1.888 5.516 -0.637 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 4 . 446 . 1 1 7 PHE CZ C 3.373 7.147 1.043 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 4 . 447 . 1 1 7 PHE H H -0.132 2.502 -2.142 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 4 . 448 . 1 1 7 PHE HA H 2.293 3.578 -2.962 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 4 . 449 . 1 1 7 PHE HB2 H 0.740 5.188 -2.361 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 4 . 450 . 1 1 7 PHE HB3 H 0.201 4.294 -0.954 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 4 . 451 . 1 1 7 PHE HD1 H 2.964 6.432 -2.234 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 4 . 452 . 1 1 7 PHE HD2 H 0.986 4.797 1.158 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 4 . 453 . 1 1 7 PHE HE1 H 4.289 7.886 -0.748 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 4 . 454 . 1 1 7 PHE HE2 H 2.280 6.219 2.638 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 4 . 455 . 1 1 7 PHE HZ H 3.951 7.773 1.707 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 4 . 456 . 1 1 7 PHE N N 0.817 2.300 -2.294 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 4 . 457 . 1 1 7 PHE O O 4.043 3.135 -1.155 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 4 . 458 . 1 1 8 LEU C C 3.860 0.222 0.582 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 4 . 459 . 1 1 8 LEU CA C 3.294 1.586 0.979 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 4 . 460 . 1 1 8 LEU CB C 2.537 1.502 2.311 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 4 . 461 . 1 1 8 LEU CD1 C 4.382 2.343 3.803 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 4 . 462 . 1 1 8 LEU CD2 C 2.472 1.040 4.771 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 4 . 463 . 1 1 8 LEU CG C 3.374 1.218 3.562 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 4 . 464 . 1 1 8 LEU H H 1.473 1.802 -0.051 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 4 . 465 . 1 1 8 LEU HA H 4.106 2.289 1.077 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 4 . 466 . 1 1 8 LEU HB2 H 2.020 2.438 2.461 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 4 . 467 . 1 1 8 LEU HB3 H 1.796 0.720 2.221 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 4 . 468 . 1 1 8 LEU HD11 H 3.861 3.285 3.898 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 4 . 469 . 1 1 8 LEU HD12 H 5.072 2.400 2.975 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 4 . 470 . 1 1 8 LEU HD13 H 4.929 2.144 4.712 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 4 . 471 . 1 1 8 LEU HD21 H 1.891 1.937 4.922 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 4 . 472 . 1 1 8 LEU HD22 H 3.079 0.855 5.645 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 4 . 473 . 1 1 8 LEU HD23 H 1.810 0.203 4.608 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 4 . 474 . 1 1 8 LEU HG H 3.928 0.304 3.411 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 4 . 475 . 1 1 8 LEU N N 2.415 2.071 -0.056 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 4 . 476 . 1 1 8 LEU O O 4.851 -0.248 1.148 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 5 . 477 . 1 1 1 GLY C C 2.843 -2.789 -0.545 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 5 . 478 . 1 1 1 GLY CA C 3.671 -1.650 -1.077 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 5 . 479 . 1 1 1 GLY H1 H 2.524 0.098 -1.018 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 5 . 480 . 1 1 1 GLY HA2 H 3.602 -1.630 -2.155 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 5 . 481 . 1 1 1 GLY HA3 H 4.699 -1.795 -0.786 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 5 . 482 . 1 1 1 GLY N N 3.238 -0.390 -0.562 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 5 . 483 . 1 1 1 GLY O O 3.253 -3.948 -0.604 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 5 . 484 . 1 1 2 THR C C -0.369 -3.637 -0.455 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 5 . 485 . 1 1 2 THR CA C 0.802 -3.457 0.509 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 5 . 486 . 1 1 2 THR CB C 0.293 -3.022 1.900 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 5 . 487 . 1 1 2 THR CG2 C 1.438 -2.965 2.906 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 5 . 488 . 1 1 2 THR H H 1.383 -1.536 0.017 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 5 . 489 . 1 1 2 THR HA H 1.341 -4.387 0.603 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 5 . 490 . 1 1 2 THR HB H -0.444 -3.733 2.242 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 5 . 491 . 1 1 2 THR HG1 H -0.836 -1.609 2.610 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 5 . 492 . 1 1 2 THR HG21 H 1.893 -3.940 2.993 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 5 . 493 . 1 1 2 THR HG22 H 1.058 -2.658 3.870 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 5 . 494 . 1 1 2 THR HG23 H 2.177 -2.253 2.569 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 5 . 495 . 1 1 2 THR N N 1.691 -2.470 -0.021 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 5 . 496 . 1 1 2 THR O O -0.415 -2.973 -1.504 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 5 . 497 . 1 1 2 THR OG1 O -0.318 -1.734 1.806 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 5 . 498 . 1 1 3 VAL C C -3.434 -3.575 -0.855 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 5 . 499 . 1 1 3 VAL CA C -2.454 -4.741 -0.978 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 5 . 500 . 1 1 3 VAL CB C -3.173 -6.085 -0.642 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 5 . 501 . 1 1 3 VAL CG1 C -4.377 -6.315 -1.548 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 5 . 502 . 1 1 3 VAL CG2 C -2.214 -7.254 -0.756 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 5 . 503 . 1 1 3 VAL H H -1.214 -5.025 0.706 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 5 . 504 . 1 1 3 VAL HA H -2.101 -4.777 -1.998 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 5 . 505 . 1 1 3 VAL HB H -3.524 -6.032 0.378 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 5 . 506 . 1 1 3 VAL HG11 H -4.852 -7.250 -1.288 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 5 . 507 . 1 1 3 VAL HG12 H -4.053 -6.349 -2.577 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 5 . 508 . 1 1 3 VAL HG13 H -5.080 -5.506 -1.418 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 5 . 509 . 1 1 3 VAL HG21 H -2.727 -8.166 -0.489 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 5 . 510 . 1 1 3 VAL HG22 H -1.372 -7.104 -0.097 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 5 . 511 . 1 1 3 VAL HG23 H -1.867 -7.328 -1.775 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 5 . 512 . 1 1 3 VAL N N -1.299 -4.512 -0.127 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 5 . 513 . 1 1 3 VAL O O -3.993 -3.106 -1.855 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 5 . 514 . 1 1 4 ALA C C -3.920 -0.670 0.213 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 5 . 515 . 1 1 4 ALA CA C -4.524 -2.003 0.617 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 5 . 516 . 1 1 4 ALA CB C -4.944 -1.985 2.079 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 5 . 517 . 1 1 4 ALA H H -3.102 -3.474 1.110 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 5 . 518 . 1 1 4 ALA HA H -5.404 -2.177 0.015 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 5 . 519 . 1 1 4 ALA HB1 H -5.360 -2.945 2.347 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 5 . 520 . 1 1 4 ALA HB2 H -5.687 -1.216 2.229 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 5 . 521 . 1 1 4 ALA HB3 H -4.084 -1.779 2.696 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 5 . 522 . 1 1 4 ALA N N -3.605 -3.089 0.360 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 5 . 523 . 1 1 4 ALA O O -4.626 0.221 -0.254 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 5 . 524 . 1 1 5 VAL C C -0.742 0.396 -0.856 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 5 . 525 . 1 1 5 VAL CA C -1.951 0.695 0.035 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 5 . 526 . 1 1 5 VAL CB C -1.485 1.497 1.300 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 5 . 527 . 1 1 5 VAL CG1 C -0.913 2.846 0.910 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 5 . 528 . 1 1 5 VAL CG2 C -2.616 1.686 2.303 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 5 . 529 . 1 1 5 VAL H H -2.081 -1.274 0.727 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 5 . 530 . 1 1 5 VAL HA H -2.649 1.300 -0.523 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 5 . 531 . 1 1 5 VAL HB H -0.698 0.931 1.776 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 5 . 532 . 1 1 5 VAL HG11 H -0.059 2.698 0.266 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 5 . 533 . 1 1 5 VAL HG12 H -0.608 3.377 1.800 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 5 . 534 . 1 1 5 VAL HG13 H -1.663 3.419 0.386 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 5 . 535 . 1 1 5 VAL HG21 H -2.979 0.722 2.627 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 5 . 536 . 1 1 5 VAL HG22 H -3.418 2.239 1.837 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 5 . 537 . 1 1 5 VAL HG23 H -2.244 2.239 3.152 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 5 . 538 . 1 1 5 VAL N N -2.621 -0.534 0.378 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 5 . 539 . 1 1 5 VAL O O 0.342 0.056 -0.370 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 5 . 540 . 1 1 6 GLN C C 1.264 1.248 -2.928 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 5 . 541 . 1 1 6 GLN CA C 0.106 0.280 -3.150 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 5 . 542 . 1 1 6 GLN CB C -0.423 0.410 -4.594 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 5 . 543 . 1 1 6 GLN CD C -2.767 -0.725 -4.621 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 5 . 544 . 1 1 6 GLN CG C -1.316 -0.737 -5.106 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 5 . 545 . 1 1 6 GLN H H -1.848 0.701 -2.471 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 5 . 546 . 1 1 6 GLN HA H 0.480 -0.722 -3.003 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 5 . 547 . 1 1 6 GLN HB2 H -1.005 1.319 -4.654 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 5 . 548 . 1 1 6 GLN HB3 H 0.423 0.508 -5.255 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 5 . 549 . 1 1 6 GLN HE21 H -3.314 -1.557 -6.304 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 5 . 550 . 1 1 6 GLN HE22 H -4.586 -1.229 -5.180 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 5 . 551 . 1 1 6 GLN HG2 H -1.336 -0.690 -6.184 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 5 . 552 . 1 1 6 GLN HG3 H -0.862 -1.672 -4.811 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 5 . 553 . 1 1 6 GLN N N -0.941 0.492 -2.154 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 5 . 554 . 1 1 6 GLN NE2 N -3.644 -1.218 -5.441 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 5 . 555 . 1 1 6 GLN O O 2.423 0.915 -3.173 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 5 . 556 . 1 1 6 GLN OE1 O -3.097 -0.264 -3.534 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 5 . 557 . 1 1 7 PHE C C 2.900 2.872 -0.993 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 5 . 558 . 1 1 7 PHE CA C 1.916 3.436 -2.035 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 5 . 559 . 1 1 7 PHE CB C 1.180 4.691 -1.491 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 5 . 560 . 1 1 7 PHE CD1 C 1.758 5.416 0.841 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 5 . 561 . 1 1 7 PHE CD2 C 2.950 6.416 -0.965 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 5 . 562 . 1 1 7 PHE CE1 C 2.483 6.148 1.743 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 5 . 563 . 1 1 7 PHE CE2 C 3.683 7.161 -0.060 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 5 . 564 . 1 1 7 PHE CG C 1.979 5.536 -0.525 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 5 . 565 . 1 1 7 PHE CZ C 3.448 7.022 1.298 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 5 . 566 . 1 1 7 PHE H H -0.024 2.627 -2.342 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 5 . 567 . 1 1 7 PHE HA H 2.472 3.717 -2.917 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 5 . 568 . 1 1 7 PHE HB2 H 0.914 5.325 -2.324 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 5 . 569 . 1 1 7 PHE HB3 H 0.273 4.380 -0.995 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 5 . 570 . 1 1 7 PHE HD1 H 1.002 4.731 1.194 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 5 . 571 . 1 1 7 PHE HD2 H 3.130 6.521 -2.024 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 5 . 572 . 1 1 7 PHE HE1 H 2.285 6.032 2.799 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 5 . 573 . 1 1 7 PHE HE2 H 4.439 7.847 -0.412 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 5 . 574 . 1 1 7 PHE HZ H 4.018 7.593 2.016 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 5 . 575 . 1 1 7 PHE N N 0.934 2.429 -2.429 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 5 . 576 . 1 1 7 PHE O O 4.092 3.165 -1.021 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 5 . 577 . 1 1 8 LEU C C 3.790 0.137 0.506 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 5 . 578 . 1 1 8 LEU CA C 3.213 1.482 0.946 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 5 . 579 . 1 1 8 LEU CB C 2.366 1.313 2.209 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 5 . 580 . 1 1 8 LEU CD1 C 4.068 2.088 3.872 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 5 . 581 . 1 1 8 LEU CD2 C 2.151 0.651 4.609 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 5 . 582 . 1 1 8 LEU CG C 3.121 0.958 3.484 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 5 . 583 . 1 1 8 LEU H H 1.461 1.765 -0.189 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 5 . 584 . 1 1 8 LEU HA H 4.019 2.171 1.149 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 5 . 585 . 1 1 8 LEU HB2 H 1.832 2.236 2.381 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 5 . 586 . 1 1 8 LEU HB3 H 1.643 0.534 2.020 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 5 . 587 . 1 1 8 LEU HD11 H 4.823 2.208 3.109 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 5 . 588 . 1 1 8 LEU HD12 H 4.539 1.872 4.820 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 5 . 589 . 1 1 8 LEU HD13 H 3.507 3.007 3.955 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 5 . 590 . 1 1 8 LEU HD21 H 1.532 1.516 4.791 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 5 . 591 . 1 1 8 LEU HD22 H 2.705 0.408 5.503 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 5 . 592 . 1 1 8 LEU HD23 H 1.530 -0.186 4.331 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 5 . 593 . 1 1 8 LEU HG H 3.720 0.079 3.298 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 5 . 594 . 1 1 8 LEU N N 2.401 2.038 -0.115 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 5 . 595 . 1 1 8 LEU O O 4.722 -0.398 1.120 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 6 . 596 . 1 1 1 GLY C C 2.955 -2.898 -0.224 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 6 . 597 . 1 1 1 GLY CA C 3.696 -1.819 -0.959 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 6 . 598 . 1 1 1 GLY H1 H 2.656 0.005 -1.201 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 6 . 599 . 1 1 1 GLY HA2 H 3.553 -1.956 -2.020 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 6 . 600 . 1 1 1 GLY HA3 H 4.747 -1.891 -0.726 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 6 . 601 . 1 1 1 GLY N N 3.219 -0.508 -0.583 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 6 . 602 . 1 1 1 GLY O O 3.548 -3.878 0.258 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 6 . 603 . 1 1 2 THR C C -0.428 -3.826 -0.276 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 6 . 604 . 1 1 2 THR CA C 0.818 -3.644 0.568 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 6 . 605 . 1 1 2 THR CB C 0.413 -3.152 1.987 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 6 . 606 . 1 1 2 THR CG2 C 1.610 -3.090 2.929 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 6 . 607 . 1 1 2 THR H H 1.264 -1.903 -0.488 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 6 . 608 . 1 1 2 THR HA H 1.349 -4.581 0.650 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 6 . 609 . 1 1 2 THR HB H -0.316 -3.843 2.384 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 6 . 610 . 1 1 2 THR HG1 H -0.054 -1.515 1.008 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 6 . 611 . 1 1 2 THR HG21 H 1.290 -2.740 3.900 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 6 . 612 . 1 1 2 THR HG22 H 2.347 -2.411 2.528 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 6 . 613 . 1 1 2 THR HG23 H 2.042 -4.075 3.024 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 6 . 614 . 1 1 2 THR N N 1.670 -2.705 -0.094 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 6 . 615 . 1 1 2 THR O O -0.611 -3.110 -1.269 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 6 . 616 . 1 1 2 THR OG1 O -0.199 -1.854 1.901 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 6 . 617 . 1 1 3 VAL C C -3.539 -3.883 -0.213 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 6 . 618 . 1 1 3 VAL CA C -2.519 -4.963 -0.607 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 6 . 619 . 1 1 3 VAL CB C -3.101 -6.388 -0.317 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 6 . 620 . 1 1 3 VAL CG1 C -4.382 -6.645 -1.101 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 6 . 621 . 1 1 3 VAL CG2 C -2.075 -7.464 -0.635 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 6 . 622 . 1 1 3 VAL H H -1.076 -5.287 0.893 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 6 . 623 . 1 1 3 VAL HA H -2.313 -4.874 -1.663 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 6 . 624 . 1 1 3 VAL HB H -3.339 -6.449 0.735 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 6 . 625 . 1 1 3 VAL HG11 H -4.179 -6.563 -2.159 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 6 . 626 . 1 1 3 VAL HG12 H -5.128 -5.918 -0.819 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 6 . 627 . 1 1 3 VAL HG13 H -4.745 -7.638 -0.881 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 6 . 628 . 1 1 3 VAL HG21 H -2.495 -8.436 -0.425 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 6 . 629 . 1 1 3 VAL HG22 H -1.194 -7.315 -0.029 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 6 . 630 . 1 1 3 VAL HG23 H -1.806 -7.408 -1.679 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 6 . 631 . 1 1 3 VAL N N -1.279 -4.736 0.105 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 6 . 632 . 1 1 3 VAL O O -4.420 -3.525 -0.998 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 6 . 633 . 1 1 4 ALA C C -3.961 -0.942 0.972 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 6 . 634 . 1 1 4 ALA CA C -4.320 -2.329 1.479 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 6 . 635 . 1 1 4 ALA CB C -4.363 -2.351 2.997 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 6 . 636 . 1 1 4 ALA H H -2.606 -3.597 1.520 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 6 . 637 . 1 1 4 ALA HA H -5.299 -2.587 1.104 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 6 . 638 . 1 1 4 ALA HB1 H -5.111 -1.654 3.345 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 6 . 639 . 1 1 4 ALA HB2 H -3.397 -2.071 3.388 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 6 . 640 . 1 1 4 ALA HB3 H -4.614 -3.346 3.336 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 6 . 641 . 1 1 4 ALA N N -3.381 -3.327 0.979 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 6 . 642 . 1 1 4 ALA O O -4.833 -0.151 0.622 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 6 . 643 . 1 1 5 VAL C C -1.156 0.255 -0.662 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 6 . 644 . 1 1 5 VAL CA C -2.186 0.586 0.404 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 6 . 645 . 1 1 5 VAL CB C -1.510 1.493 1.488 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 6 . 646 . 1 1 5 VAL CG1 C -1.062 2.822 0.890 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 6 . 647 . 1 1 5 VAL CG2 C -2.429 1.745 2.666 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 6 . 648 . 1 1 5 VAL H H -2.042 -1.302 1.306 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 6 . 649 . 1 1 5 VAL HA H -3.012 1.117 -0.047 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 6 . 650 . 1 1 5 VAL HB H -0.630 0.976 1.842 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 6 . 651 . 1 1 5 VAL HG11 H -1.918 3.354 0.503 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 6 . 652 . 1 1 5 VAL HG12 H -0.363 2.637 0.088 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 6 . 653 . 1 1 5 VAL HG13 H -0.578 3.420 1.649 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 6 . 654 . 1 1 5 VAL HG21 H -3.317 2.253 2.320 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 6 . 655 . 1 1 5 VAL HG22 H -1.917 2.367 3.387 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 6 . 656 . 1 1 5 VAL HG23 H -2.703 0.806 3.123 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 6 . 657 . 1 1 5 VAL N N -2.683 -0.656 0.942 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 6 . 658 . 1 1 5 VAL O O -0.060 -0.257 -0.336 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 6 . 659 . 1 1 6 GLN C C 0.680 1.032 -2.863 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 6 . 660 . 1 1 6 GLN CA C -0.638 0.277 -3.059 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 6 . 661 . 1 1 6 GLN CB C -1.356 0.758 -4.324 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 6 . 662 . 1 1 6 GLN CD C -1.296 1.217 -6.784 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 6 . 663 . 1 1 6 GLN CG C -0.540 0.680 -5.594 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 6 . 664 . 1 1 6 GLN H H -2.435 0.797 -2.076 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 6 . 665 . 1 1 6 GLN HA H -0.437 -0.781 -3.145 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 6 . 666 . 1 1 6 GLN HB2 H -2.245 0.163 -4.465 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 6 . 667 . 1 1 6 GLN HB3 H -1.653 1.787 -4.178 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 6 . 668 . 1 1 6 GLN HE21 H -0.667 3.037 -6.382 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 6 . 669 . 1 1 6 GLN HE22 H -1.677 2.899 -7.764 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 6 . 670 . 1 1 6 GLN HG2 H 0.360 1.261 -5.463 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 6 . 671 . 1 1 6 GLN HG3 H -0.282 -0.352 -5.782 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 6 . 672 . 1 1 6 GLN N N -1.515 0.491 -1.906 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 6 . 673 . 1 1 6 GLN NE2 N -1.209 2.499 -7.002 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 6 . 674 . 1 1 6 GLN O O 1.768 0.462 -2.991 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 6 . 675 . 1 1 6 GLN OE1 O -1.983 0.480 -7.489 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 6 . 676 . 1 1 7 PHE C C 2.662 2.611 -1.172 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 6 . 677 . 1 1 7 PHE CA C 1.668 3.193 -2.193 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 6 . 678 . 1 1 7 PHE CB C 1.088 4.547 -1.700 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 6 . 679 . 1 1 7 PHE CD1 C 1.899 5.319 0.528 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 6 . 680 . 1 1 7 PHE CD2 C 2.942 6.228 -1.413 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 6 . 681 . 1 1 7 PHE CE1 C 2.712 6.061 1.331 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 6 . 682 . 1 1 7 PHE CE2 C 3.766 6.983 -0.602 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 6 . 683 . 1 1 7 PHE CG C 1.999 5.386 -0.852 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 6 . 684 . 1 1 7 PHE CZ C 3.647 6.895 0.774 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 6 . 685 . 1 1 7 PHE H H -0.360 2.645 -2.401 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 6 . 686 . 1 1 7 PHE HA H 2.192 3.377 -3.119 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 6 . 687 . 1 1 7 PHE HB2 H 0.816 5.147 -2.555 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 6 . 688 . 1 1 7 PHE HB3 H 0.195 4.347 -1.126 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 6 . 689 . 1 1 7 PHE HD1 H 1.165 4.663 0.972 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 6 . 690 . 1 1 7 PHE HD2 H 3.030 6.293 -2.487 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 6 . 691 . 1 1 7 PHE HE1 H 2.609 5.985 2.403 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 6 . 692 . 1 1 7 PHE HE2 H 4.501 7.641 -1.041 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 6 . 693 . 1 1 7 PHE HZ H 4.284 7.474 1.423 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 6 . 694 . 1 1 7 PHE N N 0.552 2.289 -2.480 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 6 . 695 . 1 1 7 PHE O O 3.875 2.787 -1.301 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 6 . 696 . 1 1 8 LEU C C 3.554 0.014 0.580 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 6 . 697 . 1 1 8 LEU CA C 2.990 1.404 0.893 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 6 . 698 . 1 1 8 LEU CB C 2.185 1.394 2.207 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 6 . 699 . 1 1 8 LEU CD1 C 4.026 2.184 3.735 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 6 . 700 . 1 1 8 LEU CD2 C 2.021 1.023 4.687 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 6 . 701 . 1 1 8 LEU CG C 2.966 1.114 3.500 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 6 . 702 . 1 1 8 LEU H H 1.201 1.668 -0.205 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 6 . 703 . 1 1 8 LEU HA H 3.814 2.094 1.000 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 6 . 704 . 1 1 8 LEU HB2 H 1.698 2.353 2.312 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 6 . 705 . 1 1 8 LEU HB3 H 1.421 0.636 2.112 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 6 . 706 . 1 1 8 LEU HD11 H 4.542 1.980 4.661 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 6 . 707 . 1 1 8 LEU HD12 H 3.556 3.155 3.790 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 6 . 708 . 1 1 8 LEU HD13 H 4.737 2.175 2.922 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 6 . 709 . 1 1 8 LEU HD21 H 1.319 0.219 4.528 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 6 . 710 . 1 1 8 LEU HD22 H 1.483 1.955 4.792 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 6 . 711 . 1 1 8 LEU HD23 H 2.589 0.833 5.585 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 6 . 712 . 1 1 8 LEU HG H 3.471 0.165 3.393 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 6 . 713 . 1 1 8 LEU N N 2.155 1.892 -0.193 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 6 . 714 . 1 1 8 LEU O O 4.294 -0.563 1.373 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 7 . 715 . 1 1 1 GLY C C 2.782 -2.804 -0.725 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 7 . 716 . 1 1 1 GLY CA C 3.724 -1.663 -1.049 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 7 . 717 . 1 1 1 GLY H1 H 2.706 0.169 -1.140 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 7 . 718 . 1 1 1 GLY HA2 H 3.849 -1.608 -2.119 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 7 . 719 . 1 1 1 GLY HA3 H 4.682 -1.864 -0.596 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 7 . 720 . 1 1 1 GLY N N 3.281 -0.379 -0.568 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 7 . 721 . 1 1 1 GLY O O 3.023 -3.948 -1.131 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 7 . 722 . 1 1 2 THR C C -0.396 -3.570 -0.607 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 7 . 723 . 1 1 2 THR CA C 0.782 -3.545 0.356 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 7 . 724 . 1 1 2 THR CB C 0.263 -3.293 1.788 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 7 . 725 . 1 1 2 THR CG2 C 1.400 -3.341 2.798 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 7 . 726 . 1 1 2 THR H H 1.491 -1.590 0.203 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 7 . 727 . 1 1 2 THR HA H 1.291 -4.496 0.332 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 7 . 728 . 1 1 2 THR HB H -0.462 -4.053 2.034 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 7 . 729 . 1 1 2 THR HG1 H -0.517 -1.806 2.783 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 7 . 730 . 1 1 2 THR HG21 H 1.010 -3.171 3.791 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 7 . 731 . 1 1 2 THR HG22 H 2.120 -2.572 2.560 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 7 . 732 . 1 1 2 THR HG23 H 1.878 -4.308 2.757 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 7 . 733 . 1 1 2 THR N N 1.711 -2.517 -0.037 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 7 . 734 . 1 1 2 THR O O -0.404 -2.837 -1.613 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 7 . 735 . 1 1 2 THR OG1 O -0.380 -2.015 1.849 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 7 . 736 . 1 1 3 VAL C C -3.540 -3.383 -0.599 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 7 . 737 . 1 1 3 VAL CA C -2.578 -4.462 -1.109 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 7 . 738 . 1 1 3 VAL CB C -3.259 -5.863 -1.035 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 7 . 739 . 1 1 3 VAL CG1 C -4.516 -5.917 -1.896 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 7 . 740 . 1 1 3 VAL CG2 C -2.291 -6.954 -1.459 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 7 . 741 . 1 1 3 VAL H H -1.254 -5.043 0.418 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 7 . 742 . 1 1 3 VAL HA H -2.319 -4.243 -2.134 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 7 . 743 . 1 1 3 VAL HB H -3.544 -6.042 -0.009 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 7 . 744 . 1 1 3 VAL HG11 H -4.256 -5.708 -2.923 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 7 . 745 . 1 1 3 VAL HG12 H -5.226 -5.182 -1.547 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 7 . 746 . 1 1 3 VAL HG13 H -4.954 -6.902 -1.833 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 7 . 747 . 1 1 3 VAL HG21 H -1.418 -6.934 -0.823 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 7 . 748 . 1 1 3 VAL HG22 H -1.997 -6.797 -2.485 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 7 . 749 . 1 1 3 VAL HG23 H -2.778 -7.914 -1.370 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 7 . 750 . 1 1 3 VAL N N -1.365 -4.415 -0.327 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 7 . 751 . 1 1 3 VAL O O -4.304 -2.799 -1.369 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 7 . 752 . 1 1 4 ALA C C -3.862 -0.689 0.892 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 7 . 753 . 1 1 4 ALA CA C -4.316 -2.082 1.303 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 7 . 754 . 1 1 4 ALA CB C -4.315 -2.221 2.816 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 7 . 755 . 1 1 4 ALA H H -2.825 -3.576 1.260 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 7 . 756 . 1 1 4 ALA HA H -5.323 -2.238 0.941 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 7 . 757 . 1 1 4 ALA HB1 H -3.315 -2.056 3.189 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 7 . 758 . 1 1 4 ALA HB2 H -4.642 -3.213 3.090 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 7 . 759 . 1 1 4 ALA HB3 H -4.983 -1.490 3.247 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 7 . 760 . 1 1 4 ALA N N -3.466 -3.093 0.694 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 7 . 761 . 1 1 4 ALA O O -4.680 0.210 0.663 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 7 . 762 . 1 1 5 VAL C C -0.848 0.423 -0.570 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 7 . 763 . 1 1 5 VAL CA C -1.980 0.739 0.394 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 7 . 764 . 1 1 5 VAL CB C -1.399 1.555 1.602 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 7 . 765 . 1 1 5 VAL CG1 C -0.920 2.922 1.155 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 7 . 766 . 1 1 5 VAL CG2 C -2.398 1.698 2.740 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 7 . 767 . 1 1 5 VAL H H -1.944 -1.242 1.033 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 7 . 768 . 1 1 5 VAL HA H -2.733 1.325 -0.110 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 7 . 769 . 1 1 5 VAL HB H -0.538 1.015 1.967 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 7 . 770 . 1 1 5 VAL HG11 H -0.130 2.796 0.429 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 7 . 771 . 1 1 5 VAL HG12 H -0.548 3.469 2.009 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 7 . 772 . 1 1 5 VAL HG13 H -1.739 3.463 0.707 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 7 . 773 . 1 1 5 VAL HG21 H -1.942 2.264 3.539 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 7 . 774 . 1 1 5 VAL HG22 H -2.679 0.720 3.100 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 7 . 775 . 1 1 5 VAL HG23 H -3.275 2.220 2.385 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 7 . 776 . 1 1 5 VAL N N -2.565 -0.510 0.809 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 7 . 777 . 1 1 5 VAL O O 0.245 0.039 -0.144 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 7 . 778 . 1 1 6 GLN C C 1.102 1.179 -2.786 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 7 . 779 . 1 1 6 GLN CA C -0.081 0.229 -2.866 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 7 . 780 . 1 1 6 GLN CB C -0.663 0.174 -4.269 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 7 . 781 . 1 1 6 GLN CD C -2.123 -1.092 -5.880 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 7 . 782 . 1 1 6 GLN CG C -1.732 -0.890 -4.438 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 7 . 783 . 1 1 6 GLN H H -1.971 0.903 -2.147 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 7 . 784 . 1 1 6 GLN HA H 0.286 -0.752 -2.598 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 7 . 785 . 1 1 6 GLN HB2 H -1.097 1.134 -4.504 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 7 . 786 . 1 1 6 GLN HB3 H 0.133 -0.034 -4.970 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 7 . 787 . 1 1 6 GLN HE21 H -3.931 -1.641 -5.341 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 7 . 788 . 1 1 6 GLN HE22 H -3.620 -1.643 -7.031 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 7 . 789 . 1 1 6 GLN HG2 H -1.364 -1.826 -4.045 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 7 . 790 . 1 1 6 GLN HG3 H -2.608 -0.590 -3.881 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 7 . 791 . 1 1 6 GLN N N -1.095 0.561 -1.861 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 7 . 792 . 1 1 6 GLN NE2 N -3.334 -1.489 -6.106 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 7 . 793 . 1 1 6 GLN O O 2.233 0.818 -3.110 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 7 . 794 . 1 1 6 GLN OE1 O -1.315 -0.907 -6.788 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 7 . 795 . 1 1 7 PHE C C 2.835 2.850 -0.987 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 7 . 796 . 1 1 7 PHE CA C 1.820 3.385 -2.007 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 7 . 797 . 1 1 7 PHE CB C 1.094 4.640 -1.456 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 7 . 798 . 1 1 7 PHE CD1 C 2.781 6.460 -1.092 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 7 . 799 . 1 1 7 PHE CD2 C 1.810 5.423 0.812 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 7 . 800 . 1 1 7 PHE CE1 C 3.527 7.264 -0.262 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 7 . 801 . 1 1 7 PHE CE2 C 2.551 6.220 1.643 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 7 . 802 . 1 1 7 PHE CG C 1.917 5.532 -0.567 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 7 . 803 . 1 1 7 PHE CZ C 3.412 7.142 1.109 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 7 . 804 . 1 1 7 PHE H H -0.122 2.600 -2.181 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 7 . 805 . 1 1 7 PHE HA H 2.331 3.654 -2.918 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 7 . 806 . 1 1 7 PHE HB2 H 0.764 5.244 -2.288 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 7 . 807 . 1 1 7 PHE HB3 H 0.224 4.325 -0.899 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 7 . 808 . 1 1 7 PHE HD1 H 2.874 6.556 -2.163 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 7 . 809 . 1 1 7 PHE HD2 H 1.132 4.695 1.234 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 7 . 810 . 1 1 7 PHE HE1 H 4.203 7.990 -0.689 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 7 . 811 . 1 1 7 PHE HE2 H 2.454 6.116 2.713 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 7 . 812 . 1 1 7 PHE HZ H 3.994 7.767 1.770 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 7 . 813 . 1 1 7 PHE N N 0.825 2.374 -2.312 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 7 . 814 . 1 1 7 PHE O O 4.018 3.166 -1.041 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 7 . 815 . 1 1 8 LEU C C 3.671 0.082 0.605 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 7 . 816 . 1 1 8 LEU CA C 3.178 1.490 0.973 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 7 . 817 . 1 1 8 LEU CB C 2.356 1.469 2.269 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 7 . 818 . 1 1 8 LEU CD1 C 4.141 2.307 3.817 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 7 . 819 . 1 1 8 LEU CD2 C 2.135 1.122 4.728 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 7 . 820 . 1 1 8 LEU CG C 3.111 1.210 3.570 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 7 . 821 . 1 1 8 LEU H H 1.425 1.731 -0.149 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 7 . 822 . 1 1 8 LEU HA H 4.025 2.146 1.103 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 7 . 823 . 1 1 8 LEU HB2 H 1.854 2.422 2.361 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 7 . 824 . 1 1 8 LEU HB3 H 1.604 0.703 2.162 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 7 . 825 . 1 1 8 LEU HD11 H 3.648 3.268 3.840 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 7 . 826 . 1 1 8 LEU HD12 H 4.882 2.301 3.032 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 7 . 827 . 1 1 8 LEU HD13 H 4.627 2.134 4.767 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 7 . 828 . 1 1 8 LEU HD21 H 1.443 0.311 4.555 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 7 . 829 . 1 1 8 LEU HD22 H 1.589 2.050 4.807 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 7 . 830 . 1 1 8 LEU HD23 H 2.676 0.944 5.645 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 7 . 831 . 1 1 8 LEU HG H 3.634 0.269 3.492 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 7 . 832 . 1 1 8 LEU N N 2.361 2.018 -0.090 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 7 . 833 . 1 1 8 LEU O O 4.377 -0.567 1.370 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 8 . 834 . 1 1 1 GLY C C 2.676 -2.804 -0.717 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 8 . 835 . 1 1 1 GLY CA C 3.399 -1.655 -1.384 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 8 . 836 . 1 1 1 GLY H1 H 2.427 0.202 -1.308 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 8 . 837 . 1 1 1 GLY HA2 H 3.151 -1.648 -2.436 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 8 . 838 . 1 1 1 GLY HA3 H 4.464 -1.799 -1.273 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 8 . 839 . 1 1 1 GLY N N 3.035 -0.385 -0.812 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 8 . 840 . 1 1 1 GLY O O 3.201 -3.922 -0.637 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 8 . 841 . 1 1 2 THR C C -0.602 -3.744 -0.314 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 8 . 842 . 1 1 2 THR CA C 0.703 -3.539 0.438 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 8 . 843 . 1 1 2 THR CB C 0.404 -3.141 1.908 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 8 . 844 . 1 1 2 THR CG2 C 1.685 -3.049 2.719 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 8 . 845 . 1 1 2 THR H H 1.099 -1.639 -0.299 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 8 . 846 . 1 1 2 THR HA H 1.269 -4.456 0.435 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 8 . 847 . 1 1 2 THR HB H -0.234 -3.895 2.345 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 8 . 848 . 1 1 2 THR HG1 H -0.349 -1.633 2.888 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 8 . 849 . 1 1 2 THR HG21 H 1.451 -2.769 3.735 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 8 . 850 . 1 1 2 THR HG22 H 2.334 -2.304 2.280 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 8 . 851 . 1 1 2 THR HG23 H 2.183 -4.007 2.714 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 8 . 852 . 1 1 2 THR N N 1.490 -2.537 -0.222 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 8 . 853 . 1 1 2 THR O O -0.880 -3.030 -1.285 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 8 . 854 . 1 1 2 THR OG1 O -0.281 -1.878 1.956 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 8 . 855 . 1 1 3 VAL C C -3.660 -3.820 -0.068 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 8 . 856 . 1 1 3 VAL CA C -2.704 -4.946 -0.486 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 8 . 857 . 1 1 3 VAL CB C -3.301 -6.326 -0.045 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 8 . 858 . 1 1 3 VAL CG1 C -4.607 -6.624 -0.771 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 8 . 859 . 1 1 3 VAL CG2 C -2.309 -7.457 -0.269 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 8 . 860 . 1 1 3 VAL H H -1.101 -5.271 0.865 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 8 . 861 . 1 1 3 VAL HA H -2.585 -4.929 -1.560 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 8 . 862 . 1 1 3 VAL HB H -3.523 -6.271 1.010 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 8 . 863 . 1 1 3 VAL HG11 H -4.423 -6.659 -1.834 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 8 . 864 . 1 1 3 VAL HG12 H -5.323 -5.845 -0.557 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 8 . 865 . 1 1 3 VAL HG13 H -4.997 -7.576 -0.441 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 8 . 866 . 1 1 3 VAL HG21 H -2.745 -8.387 0.061 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 8 . 867 . 1 1 3 VAL HG22 H -1.405 -7.263 0.288 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 8 . 868 . 1 1 3 VAL HG23 H -2.074 -7.526 -1.321 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 8 . 869 . 1 1 3 VAL N N -1.401 -4.702 0.121 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 8 . 870 . 1 1 3 VAL O O -4.576 -3.444 -0.803 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 8 . 871 . 1 1 4 ALA C C -3.886 -0.866 1.046 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 8 . 872 . 1 1 4 ALA CA C -4.239 -2.216 1.649 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 8 . 873 . 1 1 4 ALA CB C -4.109 -2.165 3.162 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 8 . 874 . 1 1 4 ALA H H -2.649 -3.605 1.626 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 8 . 875 . 1 1 4 ALA HA H -5.265 -2.446 1.410 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 8 . 876 . 1 1 4 ALA HB1 H -3.094 -1.907 3.424 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 8 . 877 . 1 1 4 ALA HB2 H -4.352 -3.131 3.578 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 8 . 878 . 1 1 4 ALA HB3 H -4.783 -1.421 3.558 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 8 . 879 . 1 1 4 ALA N N -3.413 -3.271 1.109 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 8 . 880 . 1 1 4 ALA O O -4.772 -0.048 0.772 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 8 . 881 . 1 1 5 VAL C C -1.043 0.354 -0.724 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 8 . 882 . 1 1 5 VAL CA C -2.131 0.639 0.313 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 8 . 883 . 1 1 5 VAL CB C -1.524 1.559 1.432 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 8 . 884 . 1 1 5 VAL CG1 C -1.131 2.914 0.878 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 8 . 885 . 1 1 5 VAL CG2 C -2.470 1.731 2.612 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 8 . 886 . 1 1 5 VAL H H -1.926 -1.299 1.073 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 8 . 887 . 1 1 5 VAL HA H -2.958 1.149 -0.157 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 8 . 888 . 1 1 5 VAL HB H -0.622 1.081 1.785 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 8 . 889 . 1 1 5 VAL HG11 H -0.729 3.527 1.671 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 8 . 890 . 1 1 5 VAL HG12 H -1.995 3.398 0.446 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 8 . 891 . 1 1 5 VAL HG13 H -0.376 2.773 0.119 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 8 . 892 . 1 1 5 VAL HG21 H -2.011 2.368 3.352 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 8 . 893 . 1 1 5 VAL HG22 H -2.681 0.765 3.047 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 8 . 894 . 1 1 5 VAL HG23 H -3.391 2.181 2.271 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 8 . 895 . 1 1 5 VAL N N -2.604 -0.621 0.853 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 8 . 896 . 1 1 5 VAL O O 0.056 -0.083 -0.369 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 8 . 897 . 1 1 6 GLN C C 0.834 1.299 -2.923 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 8 . 898 . 1 1 6 GLN CA C -0.378 0.370 -3.069 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 8 . 899 . 1 1 6 GLN CB C -1.058 0.543 -4.432 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 8 . 900 . 1 1 6 GLN CD C -0.872 0.329 -6.944 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 8 . 901 . 1 1 6 GLN CG C -0.164 0.222 -5.613 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 8 . 902 . 1 1 6 GLN H H -2.205 1.005 -2.209 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 8 . 903 . 1 1 6 GLN HA H -0.034 -0.649 -2.966 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 8 . 904 . 1 1 6 GLN HB2 H -1.924 -0.100 -4.478 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 8 . 905 . 1 1 6 GLN HB3 H -1.382 1.569 -4.525 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 8 . 906 . 1 1 6 GLN HE21 H 0.815 0.849 -7.788 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 8 . 907 . 1 1 6 GLN HE22 H -0.552 0.769 -8.838 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 8 . 908 . 1 1 6 GLN HG2 H 0.668 0.910 -5.613 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 8 . 909 . 1 1 6 GLN HG3 H 0.209 -0.785 -5.497 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 8 . 910 . 1 1 6 GLN N N -1.330 0.616 -1.984 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 8 . 911 . 1 1 6 GLN NE2 N -0.138 0.679 -7.955 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 8 . 912 . 1 1 6 GLN O O 1.957 0.947 -3.278 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 8 . 913 . 1 1 6 GLN OE1 O -2.084 0.099 -7.058 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 8 . 914 . 1 1 7 PHE C C 2.645 2.820 -1.040 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 8 . 915 . 1 1 7 PHE CA C 1.627 3.425 -2.017 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 8 . 916 . 1 1 7 PHE CB C 0.985 4.717 -1.441 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 8 . 917 . 1 1 7 PHE CD1 C 1.711 5.475 0.838 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 8 . 918 . 1 1 7 PHE CD2 C 2.916 6.286 -1.051 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 8 . 919 . 1 1 7 PHE CE1 C 2.540 6.173 1.680 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 8 . 920 . 1 1 7 PHE CE2 C 3.747 6.991 -0.208 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 8 . 921 . 1 1 7 PHE CG C 1.886 5.521 -0.539 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 8 . 922 . 1 1 7 PHE CZ C 3.558 6.932 1.161 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 8 . 923 . 1 1 7 PHE H H -0.346 2.692 -2.172 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 8 . 924 . 1 1 7 PHE HA H 2.142 3.678 -2.931 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 8 . 925 . 1 1 7 PHE HB2 H 0.700 5.358 -2.261 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 8 . 926 . 1 1 7 PHE HB3 H 0.095 4.460 -0.884 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 8 . 927 . 1 1 7 PHE HD1 H 0.910 4.880 1.250 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 8 . 928 . 1 1 7 PHE HD2 H 3.063 6.333 -2.120 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 8 . 929 . 1 1 7 PHE HE1 H 2.388 6.127 2.750 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 8 . 930 . 1 1 7 PHE HE2 H 4.548 7.586 -0.619 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 8 . 931 . 1 1 7 PHE HZ H 4.207 7.474 1.831 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 8 . 932 . 1 1 7 PHE N N 0.591 2.463 -2.352 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 8 . 933 . 1 1 7 PHE O O 3.844 3.090 -1.121 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 8 . 934 . 1 1 8 LEU C C 3.526 0.017 0.347 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 8 . 935 . 1 1 8 LEU CA C 3.026 1.379 0.842 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 8 . 936 . 1 1 8 LEU CB C 2.243 1.237 2.153 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 8 . 937 . 1 1 8 LEU CD1 C 4.028 2.015 3.738 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 8 . 938 . 1 1 8 LEU CD2 C 2.122 0.653 4.577 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 8 . 939 . 1 1 8 LEU CG C 3.049 0.899 3.409 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 8 . 940 . 1 1 8 LEU H H 1.229 1.708 -0.194 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 8 . 941 . 1 1 8 LEU HA H 3.869 2.036 0.996 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 8 . 942 . 1 1 8 LEU HB2 H 1.722 2.166 2.334 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 8 . 943 . 1 1 8 LEU HB3 H 1.506 0.461 2.011 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 8 . 944 . 1 1 8 LEU HD11 H 4.578 1.763 4.631 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 8 . 945 . 1 1 8 LEU HD12 H 3.488 2.938 3.893 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 8 . 946 . 1 1 8 LEU HD13 H 4.718 2.145 2.918 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 8 . 947 . 1 1 8 LEU HD21 H 2.705 0.435 5.459 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 8 . 948 . 1 1 8 LEU HD22 H 1.486 -0.190 4.350 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 8 . 949 . 1 1 8 LEU HD23 H 1.515 1.529 4.750 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 8 . 950 . 1 1 8 LEU HG H 3.616 -0.002 3.227 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 8 . 951 . 1 1 8 LEU N N 2.174 1.969 -0.162 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 8 . 952 . 1 1 8 LEU O O 4.350 -0.632 0.984 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 9 . 953 . 1 1 1 GLY C C 3.028 -2.852 -0.492 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 9 . 954 . 1 1 1 GLY CA C 3.875 -1.712 -1.028 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 9 . 955 . 1 1 1 GLY H1 H 3.031 0.209 -1.216 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 9 . 956 . 1 1 1 GLY HA2 H 3.835 -1.731 -2.107 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 9 . 957 . 1 1 1 GLY HA3 H 4.898 -1.860 -0.715 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 9 . 958 . 1 1 1 GLY N N 3.439 -0.411 -0.573 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 9 . 959 . 1 1 1 GLY O O 3.512 -3.976 -0.345 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 9 . 960 . 1 1 2 THR C C -0.355 -3.632 -0.597 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 9 . 961 . 1 1 2 THR CA C 0.868 -3.586 0.297 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 9 . 962 . 1 1 2 THR CB C 0.423 -3.304 1.755 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 9 . 963 . 1 1 2 THR CG2 C 1.600 -3.372 2.712 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 9 . 964 . 1 1 2 THR H H 1.449 -1.659 -0.336 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 9 . 965 . 1 1 2 THR HA H 1.374 -4.540 0.259 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 9 . 966 . 1 1 2 THR HB H -0.303 -4.051 2.033 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 9 . 967 . 1 1 2 THR HG1 H -0.059 -1.551 1.005 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 9 . 968 . 1 1 2 THR HG21 H 2.047 -4.353 2.665 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 9 . 969 . 1 1 2 THR HG22 H 1.259 -3.181 3.719 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 9 . 970 . 1 1 2 THR HG23 H 2.328 -2.629 2.428 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 9 . 971 . 1 1 2 THR N N 1.778 -2.571 -0.196 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 9 . 972 . 1 1 2 THR O O -0.425 -2.892 -1.589 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 9 . 973 . 1 1 2 THR OG1 O -0.201 -2.006 1.845 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 9 . 974 . 1 1 3 VAL C C -3.513 -3.454 -0.618 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 9 . 975 . 1 1 3 VAL CA C -2.536 -4.559 -1.023 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 9 . 976 . 1 1 3 VAL CB C -3.199 -5.954 -0.842 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 9 . 977 . 1 1 3 VAL CG1 C -4.460 -6.091 -1.687 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 9 . 978 . 1 1 3 VAL CG2 C -2.211 -7.051 -1.187 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 9 . 979 . 1 1 3 VAL H H -1.220 -5.014 0.552 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 9 . 980 . 1 1 3 VAL HA H -2.276 -4.428 -2.062 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 9 . 981 . 1 1 3 VAL HB H -3.475 -6.065 0.197 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 9 . 982 . 1 1 3 VAL HG11 H -4.878 -7.078 -1.557 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 9 . 983 . 1 1 3 VAL HG12 H -4.214 -5.938 -2.727 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 9 . 984 . 1 1 3 VAL HG13 H -5.182 -5.350 -1.377 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 9 . 985 . 1 1 3 VAL HG21 H -1.366 -7.002 -0.517 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 9 . 986 . 1 1 3 VAL HG22 H -1.869 -6.905 -2.201 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 9 . 987 . 1 1 3 VAL HG23 H -2.689 -8.015 -1.106 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 9 . 988 . 1 1 3 VAL N N -1.318 -4.451 -0.247 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 9 . 989 . 1 1 3 VAL O O -4.248 -2.922 -1.452 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 9 . 990 . 1 1 4 ALA C C -3.916 -0.697 0.753 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 9 . 991 . 1 1 4 ALA CA C -4.392 -2.065 1.163 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 9 . 992 . 1 1 4 ALA CB C -4.505 -2.159 2.680 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 9 . 993 . 1 1 4 ALA H H -2.796 -3.464 1.247 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 9 . 994 . 1 1 4 ALA HA H -5.363 -2.246 0.726 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 9 . 995 . 1 1 4 ALA HB1 H -5.206 -1.419 3.035 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 9 . 996 . 1 1 4 ALA HB2 H -3.537 -1.982 3.124 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 9 . 997 . 1 1 4 ALA HB3 H -4.852 -3.145 2.955 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 9 . 998 . 1 1 4 ALA N N -3.472 -3.070 0.652 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 9 . 999 . 1 1 4 ALA O O -4.700 0.176 0.376 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 9 . 1000 . 1 1 5 VAL C C -0.920 0.332 -0.591 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 9 . 1001 . 1 1 5 VAL CA C -2.007 0.702 0.396 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 9 . 1002 . 1 1 5 VAL CB C -1.381 1.486 1.599 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 9 . 1003 . 1 1 5 VAL CG1 C -0.771 2.797 1.145 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 9 . 1004 . 1 1 5 VAL CG2 C -2.407 1.757 2.681 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 9 . 1005 . 1 1 5 VAL H H -2.073 -1.248 1.158 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 9 . 1006 . 1 1 5 VAL HA H -2.749 1.317 -0.092 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 9 . 1007 . 1 1 5 VAL HB H -0.594 0.877 2.020 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 9 . 1008 . 1 1 5 VAL HG11 H -0.340 3.304 1.994 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 9 . 1009 . 1 1 5 VAL HG12 H -1.543 3.416 0.714 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 9 . 1010 . 1 1 5 VAL HG13 H -0.005 2.605 0.408 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 9 . 1011 . 1 1 5 VAL HG21 H -1.926 2.296 3.484 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 9 . 1012 . 1 1 5 VAL HG22 H -2.804 0.823 3.048 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 9 . 1013 . 1 1 5 VAL HG23 H -3.205 2.359 2.273 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 9 . 1014 . 1 1 5 VAL N N -2.630 -0.517 0.815 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 9 . 1015 . 1 1 5 VAL O O 0.121 -0.220 -0.193 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 9 . 1016 . 1 1 6 GLN C C 1.040 1.124 -2.772 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 9 . 1017 . 1 1 6 GLN CA C -0.187 0.244 -2.904 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 9 . 1018 . 1 1 6 GLN CB C -0.791 0.349 -4.304 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 9 . 1019 . 1 1 6 GLN CD C -2.429 -0.630 -5.987 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 9 . 1020 . 1 1 6 GLN CG C -1.925 -0.637 -4.553 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 9 . 1021 . 1 1 6 GLN H H -2.014 1.000 -2.107 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 9 . 1022 . 1 1 6 GLN HA H 0.121 -0.776 -2.725 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 9 . 1023 . 1 1 6 GLN HB2 H -1.174 1.349 -4.441 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 9 . 1024 . 1 1 6 GLN HB3 H -0.017 0.166 -5.035 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 9 . 1025 . 1 1 6 GLN HE21 H -1.998 1.295 -6.218 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 9 . 1026 . 1 1 6 GLN HE22 H -2.676 0.494 -7.575 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 9 . 1027 . 1 1 6 GLN HG2 H -1.576 -1.633 -4.322 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 9 . 1028 . 1 1 6 GLN HG3 H -2.746 -0.390 -3.897 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 9 . 1029 . 1 1 6 GLN N N -1.162 0.573 -1.862 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 9 . 1030 . 1 1 6 GLN NE2 N -2.360 0.490 -6.645 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 9 . 1031 . 1 1 6 GLN O O 2.157 0.693 -3.038 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 9 . 1032 . 1 1 6 GLN OE1 O -2.889 -1.649 -6.494 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 9 . 1033 . 1 1 7 PHE C C 2.828 2.788 -0.933 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 9 . 1034 . 1 1 7 PHE CA C 1.845 3.315 -1.997 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 9 . 1035 . 1 1 7 PHE CB C 1.155 4.630 -1.531 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 9 . 1036 . 1 1 7 PHE CD1 C 2.879 6.449 -1.206 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 9 . 1037 . 1 1 7 PHE CD2 C 1.867 5.469 0.718 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 9 . 1038 . 1 1 7 PHE CE1 C 3.634 7.267 -0.382 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 9 . 1039 . 1 1 7 PHE CE2 C 2.609 6.273 1.539 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 9 . 1040 . 1 1 7 PHE CG C 1.989 5.540 -0.662 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 9 . 1041 . 1 1 7 PHE CZ C 3.497 7.176 0.996 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 9 . 1042 . 1 1 7 PHE H H -0.128 2.585 -2.138 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 9 . 1043 . 1 1 7 PHE HA H 2.385 3.517 -2.909 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 9 . 1044 . 1 1 7 PHE HB2 H 0.865 5.199 -2.401 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 9 . 1045 . 1 1 7 PHE HB3 H 0.263 4.371 -0.980 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 9 . 1046 . 1 1 7 PHE HD1 H 2.983 6.517 -2.279 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 9 . 1047 . 1 1 7 PHE HD2 H 1.173 4.763 1.149 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 9 . 1048 . 1 1 7 PHE HE1 H 4.328 7.975 -0.811 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 9 . 1049 . 1 1 7 PHE HE2 H 2.486 6.186 2.609 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 9 . 1050 . 1 1 7 PHE HZ H 4.083 7.806 1.649 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 9 . 1051 . 1 1 7 PHE N N 0.808 2.331 -2.293 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 9 . 1052 . 1 1 7 PHE O O 3.999 3.153 -0.911 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 9 . 1053 . 1 1 8 LEU C C 3.634 -0.017 0.677 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 9 . 1054 . 1 1 8 LEU CA C 3.147 1.400 1.007 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 9 . 1055 . 1 1 8 LEU CB C 2.303 1.410 2.287 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 9 . 1056 . 1 1 8 LEU CD1 C 3.988 2.426 3.831 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 9 . 1057 . 1 1 8 LEU CD2 C 2.065 1.136 4.757 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 9 . 1058 . 1 1 8 LEU CG C 3.047 1.253 3.608 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 9 . 1059 . 1 1 8 LEU H H 1.436 1.569 -0.203 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 9 . 1060 . 1 1 8 LEU HA H 3.996 2.054 1.134 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 9 . 1061 . 1 1 8 LEU HB2 H 1.760 2.343 2.321 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 9 . 1062 . 1 1 8 LEU HB3 H 1.585 0.606 2.210 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 9 . 1063 . 1 1 8 LEU HD11 H 4.491 2.305 4.779 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 9 . 1064 . 1 1 8 LEU HD12 H 3.428 3.350 3.833 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 9 . 1065 . 1 1 8 LEU HD13 H 4.723 2.462 3.041 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 9 . 1066 . 1 1 8 LEU HD21 H 1.443 0.265 4.613 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 9 . 1067 . 1 1 8 LEU HD22 H 1.445 2.020 4.790 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 9 . 1068 . 1 1 8 LEU HD23 H 2.607 1.043 5.686 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 9 . 1069 . 1 1 8 LEU HG H 3.631 0.346 3.563 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 9 . 1070 . 1 1 8 LEU N N 2.348 1.904 -0.085 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 9 . 1071 . 1 1 8 LEU O O 4.167 -0.727 1.529 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 10 . 1072 . 1 1 1 GLY C C 2.987 -2.882 -0.296 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 10 . 1073 . 1 1 1 GLY CA C 3.845 -1.749 -0.806 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 10 . 1074 . 1 1 1 GLY H1 H 2.764 0.029 -1.041 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 10 . 1075 . 1 1 1 GLY HA2 H 3.892 -1.799 -1.883 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 10 . 1076 . 1 1 1 GLY HA3 H 4.841 -1.855 -0.404 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 10 . 1077 . 1 1 1 GLY N N 3.340 -0.464 -0.421 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 10 . 1078 . 1 1 1 GLY O O 3.412 -4.041 -0.298 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 10 . 1079 . 1 1 2 THR C C -0.303 -3.673 -0.305 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 10 . 1080 . 1 1 2 THR CA C 0.878 -3.563 0.643 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 10 . 1081 . 1 1 2 THR CB C 0.379 -3.208 2.067 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 10 . 1082 . 1 1 2 THR CG2 C 1.550 -3.073 3.024 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 10 . 1083 . 1 1 2 THR H H 1.468 -1.636 0.133 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 10 . 1084 . 1 1 2 THR HA H 1.399 -4.507 0.675 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 10 . 1085 . 1 1 2 THR HB H -0.271 -3.994 2.420 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 10 . 1086 . 1 1 2 THR HG1 H -0.531 -1.755 2.972 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 10 . 1087 . 1 1 2 THR HG21 H 1.182 -2.816 4.006 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 10 . 1088 . 1 1 2 THR HG22 H 2.212 -2.294 2.675 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 10 . 1089 . 1 1 2 THR HG23 H 2.091 -4.006 3.077 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 10 . 1090 . 1 1 2 THR N N 1.785 -2.565 0.144 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 10 . 1091 . 1 1 2 THR O O -0.372 -2.939 -1.300 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 10 . 1092 . 1 1 2 THR OG1 O -0.357 -1.975 2.048 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 10 . 1093 . 1 1 3 VAL C C -3.424 -3.656 -0.495 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 10 . 1094 . 1 1 3 VAL CA C -2.389 -4.724 -0.863 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 10 . 1095 . 1 1 3 VAL CB C -3.008 -6.153 -0.751 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 10 . 1096 . 1 1 3 VAL CG1 C -4.210 -6.314 -1.679 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 10 . 1097 . 1 1 3 VAL CG2 C -1.963 -7.208 -1.069 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 10 . 1098 . 1 1 3 VAL H H -1.088 -5.167 0.740 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 10 . 1099 . 1 1 3 VAL HA H -2.080 -4.554 -1.884 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 10 . 1100 . 1 1 3 VAL HB H -3.341 -6.300 0.265 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 10 . 1101 . 1 1 3 VAL HG11 H -4.969 -5.592 -1.415 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 10 . 1102 . 1 1 3 VAL HG12 H -4.611 -7.311 -1.581 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 10 . 1103 . 1 1 3 VAL HG13 H -3.899 -6.152 -2.701 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 10 . 1104 . 1 1 3 VAL HG21 H -2.401 -8.192 -0.977 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 10 . 1105 . 1 1 3 VAL HG22 H -1.136 -7.112 -0.383 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 10 . 1106 . 1 1 3 VAL HG23 H -1.608 -7.066 -2.079 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 10 . 1107 . 1 1 3 VAL N N -1.213 -4.574 -0.033 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 10 . 1108 . 1 1 3 VAL O O -4.170 -3.187 -1.346 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 10 . 1109 . 1 1 4 ALA C C -3.921 -0.850 0.742 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 10 . 1110 . 1 1 4 ALA CA C -4.381 -2.222 1.207 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 10 . 1111 . 1 1 4 ALA CB C -4.529 -2.247 2.720 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 10 . 1112 . 1 1 4 ALA H H -2.776 -3.594 1.406 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 10 . 1113 . 1 1 4 ALA HA H -5.336 -2.443 0.755 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 10 . 1114 . 1 1 4 ALA HB1 H -5.257 -1.512 3.025 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 10 . 1115 . 1 1 4 ALA HB2 H -3.577 -2.020 3.177 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 10 . 1116 . 1 1 4 ALA HB3 H -4.853 -3.228 3.034 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 10 . 1117 . 1 1 4 ALA N N -3.428 -3.235 0.767 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 10 . 1118 . 1 1 4 ALA O O -4.720 -0.019 0.274 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 10 . 1119 . 1 1 5 VAL C C -0.914 0.233 -0.560 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 10 . 1120 . 1 1 5 VAL CA C -2.031 0.594 0.405 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 10 . 1121 . 1 1 5 VAL CB C -1.438 1.414 1.605 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 10 . 1122 . 1 1 5 VAL CG1 C -0.925 2.773 1.154 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 10 . 1123 . 1 1 5 VAL CG2 C -2.443 1.584 2.733 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 10 . 1124 . 1 1 5 VAL H H -2.033 -1.327 1.181 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 10 . 1125 . 1 1 5 VAL HA H -2.779 1.184 -0.105 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 10 . 1126 . 1 1 5 VAL HB H -0.593 0.858 1.984 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 10 . 1127 . 1 1 5 VAL HG11 H -0.162 2.641 0.401 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 10 . 1128 . 1 1 5 VAL HG12 H -0.508 3.296 2.002 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 10 . 1129 . 1 1 5 VAL HG13 H -1.740 3.350 0.747 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 10 . 1130 . 1 1 5 VAL HG21 H -2.710 0.618 3.136 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 10 . 1131 . 1 1 5 VAL HG22 H -3.327 2.070 2.347 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 10 . 1132 . 1 1 5 VAL HG23 H -2.001 2.196 3.506 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 10 . 1133 . 1 1 5 VAL N N -2.633 -0.631 0.829 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 10 . 1134 . 1 1 5 VAL O O 0.199 -0.104 -0.135 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 10 . 1135 . 1 1 6 GLN C C 0.971 0.798 -2.834 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 10 . 1136 . 1 1 6 GLN CA C -0.251 -0.110 -2.883 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 10 . 1137 . 1 1 6 GLN CB C -0.897 -0.120 -4.277 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 10 . 1138 . 1 1 6 GLN CD C -2.151 1.106 -6.076 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 10 . 1139 . 1 1 6 GLN CG C -1.467 1.211 -4.738 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 10 . 1140 . 1 1 6 GLN H H -2.118 0.545 -2.110 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 10 . 1141 . 1 1 6 GLN HA H 0.081 -1.110 -2.644 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 10 . 1142 . 1 1 6 GLN HB2 H -0.150 -0.418 -4.998 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 10 . 1143 . 1 1 6 GLN HB3 H -1.694 -0.850 -4.284 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 10 . 1144 . 1 1 6 GLN HE21 H -3.864 0.713 -5.191 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 10 . 1145 . 1 1 6 GLN HE22 H -3.880 0.736 -6.918 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 10 . 1146 . 1 1 6 GLN HG2 H -2.190 1.550 -4.013 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 10 . 1147 . 1 1 6 GLN HG3 H -0.664 1.930 -4.811 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 10 . 1148 . 1 1 6 GLN N N -1.216 0.260 -1.849 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 10 . 1149 . 1 1 6 GLN NE2 N -3.419 0.831 -6.058 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 10 . 1150 . 1 1 6 GLN O O 2.082 0.366 -3.094 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 10 . 1151 . 1 1 6 GLN OE1 O -1.534 1.278 -7.124 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 10 . 1152 . 1 1 7 PHE C C 2.784 2.579 -1.139 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 10 . 1153 . 1 1 7 PHE CA C 1.796 3.022 -2.239 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 10 . 1154 . 1 1 7 PHE CB C 1.142 4.387 -1.904 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 10 . 1155 . 1 1 7 PHE CD1 C 1.648 5.415 0.317 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 10 . 1156 . 1 1 7 PHE CD2 C 3.049 5.989 -1.523 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 10 . 1157 . 1 1 7 PHE CE1 C 2.389 6.206 1.147 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 10 . 1158 . 1 1 7 PHE CE2 C 3.799 6.792 -0.691 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 10 . 1159 . 1 1 7 PHE CG C 1.964 5.292 -1.027 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 10 . 1160 . 1 1 7 PHE CZ C 3.469 6.900 0.644 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 10 . 1161 . 1 1 7 PHE H H -0.186 2.286 -2.255 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 10 . 1162 . 1 1 7 PHE HA H 2.334 3.117 -3.170 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 10 . 1163 . 1 1 7 PHE HB2 H 0.946 4.919 -2.822 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 10 . 1164 . 1 1 7 PHE HB3 H 0.203 4.203 -1.404 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 10 . 1165 . 1 1 7 PHE HD1 H 0.801 4.873 0.712 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 10 . 1166 . 1 1 7 PHE HD2 H 3.304 5.903 -2.569 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 10 . 1167 . 1 1 7 PHE HE1 H 2.114 6.279 2.188 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 10 . 1168 . 1 1 7 PHE HE2 H 4.647 7.334 -1.082 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 10 . 1169 . 1 1 7 PHE HZ H 4.061 7.525 1.295 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 10 . 1170 . 1 1 7 PHE N N 0.747 2.033 -2.431 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 10 . 1171 . 1 1 7 PHE O O 3.989 2.824 -1.231 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 10 . 1172 . 1 1 8 LEU C C 3.657 0.077 0.736 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 10 . 1173 . 1 1 8 LEU CA C 3.056 1.459 1.005 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 10 . 1174 . 1 1 8 LEU CB C 2.152 1.417 2.245 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 10 . 1175 . 1 1 8 LEU CD1 C 3.731 2.410 3.914 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 10 . 1176 . 1 1 8 LEU CD2 C 1.774 1.062 4.689 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 10 . 1177 . 1 1 8 LEU CG C 2.823 1.232 3.603 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 10 . 1178 . 1 1 8 LEU H H 1.323 1.624 -0.188 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 10 . 1179 . 1 1 8 LEU HA H 3.846 2.176 1.163 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 10 . 1180 . 1 1 8 LEU HB2 H 1.587 2.337 2.278 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 10 . 1181 . 1 1 8 LEU HB3 H 1.458 0.602 2.104 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 10 . 1182 . 1 1 8 LEU HD11 H 4.168 2.274 4.891 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 10 . 1183 . 1 1 8 LEU HD12 H 3.158 3.326 3.898 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 10 . 1184 . 1 1 8 LEU HD13 H 4.517 2.467 3.176 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 10 . 1185 . 1 1 8 LEU HD21 H 2.262 0.945 5.646 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 10 . 1186 . 1 1 8 LEU HD22 H 1.178 0.185 4.481 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 10 . 1187 . 1 1 8 LEU HD23 H 1.137 1.933 4.715 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 10 . 1188 . 1 1 8 LEU HG H 3.431 0.340 3.575 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 10 . 1189 . 1 1 8 LEU N N 2.269 1.883 -0.145 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 10 . 1190 . 1 1 8 LEU O O 4.379 -0.482 1.560 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 11 . 1191 . 1 1 1 GLY C C 2.784 -2.907 -0.412 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 11 . 1192 . 1 1 1 GLY CA C 3.675 -1.806 -0.940 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 11 . 1193 . 1 1 1 GLY H1 H 2.626 0.012 -1.013 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 11 . 1194 . 1 1 1 GLY HA2 H 3.651 -1.834 -2.018 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 11 . 1195 . 1 1 1 GLY HA3 H 4.685 -1.979 -0.606 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 11 . 1196 . 1 1 1 GLY N N 3.287 -0.492 -0.498 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 11 . 1197 . 1 1 1 GLY O O 3.141 -4.079 -0.471 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 11 . 1198 . 1 1 2 THR C C -0.393 -3.736 -0.408 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 11 . 1199 . 1 1 2 THR CA C 0.717 -3.525 0.608 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 11 . 1200 . 1 1 2 THR CB C 0.117 -3.069 1.957 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 11 . 1201 . 1 1 2 THR CG2 C 1.200 -2.902 3.008 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 11 . 1202 . 1 1 2 THR H H 1.351 -1.608 0.117 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 11 . 1203 . 1 1 2 THR HA H 1.253 -4.452 0.753 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 11 . 1204 . 1 1 2 THR HB H -0.589 -3.812 2.295 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 11 . 1205 . 1 1 2 THR HG1 H -0.997 -1.635 2.638 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 11 . 1206 . 1 1 2 THR HG21 H 1.717 -3.839 3.150 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 11 . 1207 . 1 1 2 THR HG22 H 0.752 -2.592 3.941 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 11 . 1208 . 1 1 2 THR HG23 H 1.901 -2.151 2.679 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 11 . 1209 . 1 1 2 THR N N 1.633 -2.549 0.095 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 11 . 1210 . 1 1 2 THR O O -0.413 -3.070 -1.462 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 11 . 1211 . 1 1 2 THR OG1 O -0.571 -1.824 1.794 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 11 . 1212 . 1 1 3 VAL C C -3.398 -3.714 -0.981 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 11 . 1213 . 1 1 3 VAL CA C -2.423 -4.890 -1.009 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 11 . 1214 . 1 1 3 VAL CB C -3.175 -6.195 -0.643 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 11 . 1215 . 1 1 3 VAL CG1 C -4.265 -6.508 -1.666 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 11 . 1216 . 1 1 3 VAL CG2 C -2.208 -7.353 -0.530 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 11 . 1217 . 1 1 3 VAL H H -1.232 -5.159 0.714 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 11 . 1218 . 1 1 3 VAL HA H -2.024 -4.984 -2.008 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 11 . 1219 . 1 1 3 VAL HB H -3.649 -6.050 0.317 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 11 . 1220 . 1 1 3 VAL HG11 H -4.760 -7.430 -1.400 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 11 . 1221 . 1 1 3 VAL HG12 H -3.822 -6.608 -2.645 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 11 . 1222 . 1 1 3 VAL HG13 H -4.986 -5.703 -1.680 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 11 . 1223 . 1 1 3 VAL HG21 H -1.485 -7.150 0.246 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 11 . 1224 . 1 1 3 VAL HG22 H -1.695 -7.481 -1.472 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 11 . 1225 . 1 1 3 VAL HG23 H -2.753 -8.253 -0.290 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 11 . 1226 . 1 1 3 VAL N N -1.311 -4.635 -0.113 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 11 . 1227 . 1 1 3 VAL O O -3.932 -3.315 -2.010 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 11 . 1228 . 1 1 4 ALA C C -3.877 -0.724 -0.065 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 11 . 1229 . 1 1 4 ALA CA C -4.535 -2.041 0.326 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 11 . 1230 . 1 1 4 ALA CB C -5.087 -1.965 1.742 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 11 . 1231 . 1 1 4 ALA H H -3.137 -3.494 0.981 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 11 . 1232 . 1 1 4 ALA HA H -5.358 -2.227 -0.349 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 11 . 1233 . 1 1 4 ALA HB1 H -5.822 -1.176 1.801 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 11 . 1234 . 1 1 4 ALA HB2 H -4.282 -1.758 2.430 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 11 . 1235 . 1 1 4 ALA HB3 H -5.548 -2.907 2.001 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 11 . 1236 . 1 1 4 ALA N N -3.610 -3.149 0.192 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 11 . 1237 . 1 1 4 ALA O O -4.492 0.121 -0.732 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 11 . 1238 . 1 1 5 VAL C C -0.755 0.374 -0.882 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 11 . 1239 . 1 1 5 VAL CA C -1.921 0.665 0.039 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 11 . 1240 . 1 1 5 VAL CB C -1.409 1.373 1.334 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 11 . 1241 . 1 1 5 VAL CG1 C -0.781 2.713 1.012 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 11 . 1242 . 1 1 5 VAL CG2 C -2.522 1.555 2.349 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 11 . 1243 . 1 1 5 VAL H H -2.137 -1.269 0.777 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 11 . 1244 . 1 1 5 VAL HA H -2.598 1.327 -0.476 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 11 . 1245 . 1 1 5 VAL HB H -0.646 0.746 1.773 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 11 . 1246 . 1 1 5 VAL HG11 H -0.433 3.172 1.924 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 11 . 1247 . 1 1 5 VAL HG12 H -1.515 3.352 0.543 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 11 . 1248 . 1 1 5 VAL HG13 H 0.052 2.566 0.341 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 11 . 1249 . 1 1 5 VAL HG21 H -2.120 2.057 3.216 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 11 . 1250 . 1 1 5 VAL HG22 H -2.919 0.592 2.631 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 11 . 1251 . 1 1 5 VAL HG23 H -3.305 2.160 1.915 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 11 . 1252 . 1 1 5 VAL N N -2.629 -0.554 0.317 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 11 . 1253 . 1 1 5 VAL O O 0.334 -0.017 -0.434 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 11 . 1254 . 1 1 6 GLN C C 1.238 1.210 -2.941 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 11 . 1255 . 1 1 6 GLN CA C 0.029 0.317 -3.195 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 11 . 1256 . 1 1 6 GLN CB C -0.523 0.593 -4.601 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 11 . 1257 . 1 1 6 GLN CD C -2.908 -0.330 -4.347 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 11 . 1258 . 1 1 6 GLN CG C -1.608 -0.364 -5.128 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 11 . 1259 . 1 1 6 GLN H H -1.882 0.831 -2.454 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 11 . 1260 . 1 1 6 GLN HA H 0.339 -0.716 -3.130 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 11 . 1261 . 1 1 6 GLN HB2 H -0.947 1.585 -4.595 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 11 . 1262 . 1 1 6 GLN HB3 H 0.310 0.581 -5.286 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 11 . 1263 . 1 1 6 GLN HE21 H -3.275 -2.190 -4.847 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 11 . 1264 . 1 1 6 GLN HE22 H -4.455 -1.428 -3.851 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 11 . 1265 . 1 1 6 GLN HG2 H -1.830 -0.101 -6.151 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 11 . 1266 . 1 1 6 GLN HG3 H -1.216 -1.371 -5.104 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 11 . 1267 . 1 1 6 GLN N N -0.984 0.546 -2.167 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 11 . 1268 . 1 1 6 GLN NE2 N -3.611 -1.413 -4.349 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 11 . 1269 . 1 1 6 GLN O O 2.384 0.809 -3.156 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 11 . 1270 . 1 1 6 GLN OE1 O -3.276 0.691 -3.764 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 11 . 1271 . 1 1 7 PHE C C 2.966 2.838 -1.032 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 11 . 1272 . 1 1 7 PHE CA C 1.940 3.397 -2.047 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 11 . 1273 . 1 1 7 PHE CB C 1.176 4.614 -1.476 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 11 . 1274 . 1 1 7 PHE CD1 C 1.788 5.365 0.822 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 11 . 1275 . 1 1 7 PHE CD2 C 2.798 6.481 -1.016 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 11 . 1276 . 1 1 7 PHE CE1 C 2.464 6.162 1.700 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 11 . 1277 . 1 1 7 PHE CE2 C 3.487 7.292 -0.135 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 11 . 1278 . 1 1 7 PHE CG C 1.943 5.510 -0.545 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 11 . 1279 . 1 1 7 PHE CZ C 3.319 7.130 1.225 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 11 . 1280 . 1 1 7 PHE H H 0.003 2.638 -2.351 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 11 . 1281 . 1 1 7 PHE HA H 2.466 3.720 -2.933 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 11 . 1282 . 1 1 7 PHE HB2 H 0.844 5.228 -2.301 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 11 . 1283 . 1 1 7 PHE HB3 H 0.302 4.256 -0.952 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 11 . 1284 . 1 1 7 PHE HD1 H 1.121 4.604 1.197 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 11 . 1285 . 1 1 7 PHE HD2 H 2.926 6.605 -2.081 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 11 . 1286 . 1 1 7 PHE HE1 H 2.313 6.017 2.759 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 11 . 1287 . 1 1 7 PHE HE2 H 4.159 8.051 -0.505 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 11 . 1288 . 1 1 7 PHE HZ H 3.857 7.762 1.915 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 11 . 1289 . 1 1 7 PHE N N 0.952 2.402 -2.445 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 11 . 1290 . 1 1 7 PHE O O 4.154 3.146 -1.100 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 11 . 1291 . 1 1 8 LEU C C 3.823 0.051 0.575 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 11 . 1292 . 1 1 8 LEU CA C 3.360 1.477 0.909 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 11 . 1293 . 1 1 8 LEU CB C 2.607 1.541 2.247 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 11 . 1294 . 1 1 8 LEU CD1 C 4.576 2.191 3.673 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 11 . 1295 . 1 1 8 LEU CD2 C 2.492 1.326 4.727 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 11 . 1296 . 1 1 8 LEU CG C 3.400 1.234 3.519 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 11 . 1297 . 1 1 8 LEU H H 1.579 1.685 -0.193 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 11 . 1298 . 1 1 8 LEU HA H 4.227 2.118 0.965 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 11 . 1299 . 1 1 8 LEU HB2 H 2.196 2.535 2.347 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 11 . 1300 . 1 1 8 LEU HB3 H 1.781 0.845 2.190 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 11 . 1301 . 1 1 8 LEU HD11 H 5.252 2.076 2.839 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 11 . 1302 . 1 1 8 LEU HD12 H 5.097 1.974 4.593 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 11 . 1303 . 1 1 8 LEU HD13 H 4.209 3.207 3.700 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 11 . 1304 . 1 1 8 LEU HD21 H 3.060 1.110 5.620 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 11 . 1305 . 1 1 8 LEU HD22 H 1.687 0.612 4.629 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 11 . 1306 . 1 1 8 LEU HD23 H 2.083 2.323 4.795 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 11 . 1307 . 1 1 8 LEU HG H 3.785 0.228 3.461 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 11 . 1308 . 1 1 8 LEU N N 2.509 1.990 -0.139 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 11 . 1309 . 1 1 8 LEU O O 4.662 -0.532 1.269 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 12 . 1310 . 1 1 1 GLY C C 2.870 -2.722 -0.724 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 12 . 1311 . 1 1 1 GLY CA C 3.649 -1.600 -1.353 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 12 . 1312 . 1 1 1 GLY H1 H 2.829 0.338 -1.374 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 12 . 1313 . 1 1 1 GLY HA2 H 3.465 -1.594 -2.417 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 12 . 1314 . 1 1 1 GLY HA3 H 4.700 -1.768 -1.177 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 12 . 1315 . 1 1 1 GLY N N 3.277 -0.318 -0.799 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 12 . 1316 . 1 1 1 GLY O O 3.392 -3.813 -0.513 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 12 . 1317 . 1 1 2 THR C C -0.448 -3.631 -0.610 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 12 . 1318 . 1 1 2 THR CA C 0.796 -3.432 0.226 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 12 . 1319 . 1 1 2 THR CB C 0.384 -3.005 1.660 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 12 . 1320 . 1 1 2 THR CG2 C 1.600 -2.855 2.570 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 12 . 1321 . 1 1 2 THR H H 1.260 -1.571 -0.621 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 12 . 1322 . 1 1 2 THR HA H 1.352 -4.355 0.278 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 12 . 1323 . 1 1 2 THR HB H -0.265 -3.770 2.060 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 12 . 1324 . 1 1 2 THR HG1 H -0.081 -1.305 0.808 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 12 . 1325 . 1 1 2 THR HG21 H 2.259 -2.101 2.164 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 12 . 1326 . 1 1 2 THR HG22 H 2.125 -3.796 2.630 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 12 . 1327 . 1 1 2 THR HG23 H 1.277 -2.557 3.556 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 12 . 1328 . 1 1 2 THR N N 1.632 -2.451 -0.402 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 12 . 1329 . 1 1 2 THR O O -0.637 -2.939 -1.626 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 12 . 1330 . 1 1 2 THR OG1 O -0.340 -1.766 1.614 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 12 . 1331 . 1 1 3 VAL C C -3.542 -3.671 -0.584 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 12 . 1332 . 1 1 3 VAL CA C -2.537 -4.787 -0.880 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 12 . 1333 . 1 1 3 VAL CB C -3.132 -6.162 -0.454 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 12 . 1334 . 1 1 3 VAL CG1 C -4.404 -6.485 -1.223 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 12 . 1335 . 1 1 3 VAL CG2 C -2.107 -7.270 -0.638 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 12 . 1336 . 1 1 3 VAL H H -1.107 -5.028 0.637 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 12 . 1337 . 1 1 3 VAL HA H -2.326 -4.807 -1.938 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 12 . 1338 . 1 1 3 VAL HB H -3.382 -6.105 0.594 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 12 . 1339 . 1 1 3 VAL HG11 H -4.783 -7.446 -0.907 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 12 . 1340 . 1 1 3 VAL HG12 H -4.190 -6.514 -2.282 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 12 . 1341 . 1 1 3 VAL HG13 H -5.144 -5.723 -1.027 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 12 . 1342 . 1 1 3 VAL HG21 H -2.542 -8.214 -0.346 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 12 . 1343 . 1 1 3 VAL HG22 H -1.244 -7.067 -0.021 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 12 . 1344 . 1 1 3 VAL HG23 H -1.803 -7.317 -1.673 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 12 . 1345 . 1 1 3 VAL N N -1.304 -4.521 -0.182 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 12 . 1346 . 1 1 3 VAL O O -4.353 -3.303 -1.432 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 12 . 1347 . 1 1 4 ALA C C -3.961 -0.712 0.523 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 12 . 1348 . 1 1 4 ALA CA C -4.379 -2.079 1.024 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 12 . 1349 . 1 1 4 ALA CB C -4.498 -2.076 2.536 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 12 . 1350 . 1 1 4 ALA H H -2.687 -3.344 1.185 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 12 . 1351 . 1 1 4 ALA HA H -5.342 -2.330 0.607 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 12 . 1352 . 1 1 4 ALA HB1 H -3.540 -1.832 2.971 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 12 . 1353 . 1 1 4 ALA HB2 H -4.811 -3.052 2.875 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 12 . 1354 . 1 1 4 ALA HB3 H -5.227 -1.340 2.842 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 12 . 1355 . 1 1 4 ALA N N -3.434 -3.093 0.599 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 12 . 1356 . 1 1 4 ALA O O -4.794 0.095 0.091 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 12 . 1357 . 1 1 5 VAL C C -1.032 0.497 -0.895 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 12 . 1358 . 1 1 5 VAL CA C -2.126 0.796 0.123 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 12 . 1359 . 1 1 5 VAL CB C -1.507 1.601 1.318 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 12 . 1360 . 1 1 5 VAL CG1 C -0.981 2.949 0.867 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 12 . 1361 . 1 1 5 VAL CG2 C -2.506 1.782 2.454 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 12 . 1362 . 1 1 5 VAL H H -2.072 -1.137 0.931 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 12 . 1363 . 1 1 5 VAL HA H -2.908 1.383 -0.335 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 12 . 1364 . 1 1 5 VAL HB H -0.669 1.031 1.692 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 12 . 1365 . 1 1 5 VAL HG11 H -0.213 2.800 0.122 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 12 . 1366 . 1 1 5 VAL HG12 H -0.563 3.476 1.713 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 12 . 1367 . 1 1 5 VAL HG13 H -1.786 3.528 0.443 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 12 . 1368 . 1 1 5 VAL HG21 H -2.042 2.348 3.247 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 12 . 1369 . 1 1 5 VAL HG22 H -2.808 0.815 2.827 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 12 . 1370 . 1 1 5 VAL HG23 H -3.371 2.314 2.088 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 12 . 1371 . 1 1 5 VAL N N -2.681 -0.457 0.570 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 12 . 1372 . 1 1 5 VAL O O 0.009 -0.093 -0.534 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 12 . 1373 . 1 1 6 GLN C C 0.992 1.424 -2.916 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 12 . 1374 . 1 1 6 GLN CA C -0.279 0.654 -3.225 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 12 . 1375 . 1 1 6 GLN CB C -0.815 1.112 -4.587 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 12 . 1376 . 1 1 6 GLN CD C -1.976 -1.078 -5.144 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 12 . 1377 . 1 1 6 GLN CG C -2.094 0.431 -5.055 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 12 . 1378 . 1 1 6 GLN H H -2.102 1.335 -2.356 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 12 . 1379 . 1 1 6 GLN HA H -0.053 -0.401 -3.261 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 12 . 1380 . 1 1 6 GLN HB2 H -1.001 2.174 -4.542 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 12 . 1381 . 1 1 6 GLN HB3 H -0.048 0.932 -5.326 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 12 . 1382 . 1 1 6 GLN HE21 H -2.751 -1.277 -3.344 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 12 . 1383 . 1 1 6 GLN HE22 H -2.322 -2.748 -4.146 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 12 . 1384 . 1 1 6 GLN HG2 H -2.886 0.678 -4.367 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 12 . 1385 . 1 1 6 GLN HG3 H -2.348 0.816 -6.032 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 12 . 1386 . 1 1 6 GLN N N -1.258 0.875 -2.150 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 12 . 1387 . 1 1 6 GLN NE2 N -2.387 -1.768 -4.111 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 12 . 1388 . 1 1 6 GLN O O 2.094 0.931 -3.111 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 12 . 1389 . 1 1 6 GLN OE1 O -1.571 -1.615 -6.172 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 12 . 1390 . 1 1 7 PHE C C 2.834 2.843 -0.964 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 12 . 1391 . 1 1 7 PHE CA C 1.888 3.509 -1.970 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 12 . 1392 . 1 1 7 PHE CB C 1.268 4.804 -1.392 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 12 . 1393 . 1 1 7 PHE CD1 C 1.954 5.423 0.930 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 12 . 1394 . 1 1 7 PHE CD2 C 3.111 6.446 -0.882 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 12 . 1395 . 1 1 7 PHE CE1 C 2.726 6.105 1.825 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 12 . 1396 . 1 1 7 PHE CE2 C 3.894 7.140 0.017 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 12 . 1397 . 1 1 7 PHE CG C 2.133 5.578 -0.435 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 12 . 1398 . 1 1 7 PHE CZ C 3.697 6.967 1.375 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 12 . 1399 . 1 1 7 PHE H H -0.118 2.933 -2.292 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 12 . 1400 . 1 1 7 PHE HA H 2.459 3.774 -2.846 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 12 . 1401 . 1 1 7 PHE HB2 H 1.046 5.469 -2.213 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 12 . 1402 . 1 1 7 PHE HB3 H 0.344 4.560 -0.889 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 12 . 1403 . 1 1 7 PHE HD1 H 1.191 4.746 1.287 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 12 . 1404 . 1 1 7 PHE HD2 H 3.261 6.577 -1.943 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 12 . 1405 . 1 1 7 PHE HE1 H 2.563 5.963 2.883 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 12 . 1406 . 1 1 7 PHE HE2 H 4.656 7.817 -0.339 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 12 . 1407 . 1 1 7 PHE HZ H 4.302 7.497 2.094 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 12 . 1408 . 1 1 7 PHE N N 0.808 2.619 -2.389 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 12 . 1409 . 1 1 7 PHE O O 4.034 3.072 -0.987 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 12 . 1410 . 1 1 8 LEU C C 3.562 0.002 0.457 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 12 . 1411 . 1 1 8 LEU CA C 3.083 1.382 0.918 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 12 . 1412 . 1 1 8 LEU CB C 2.242 1.282 2.202 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 12 . 1413 . 1 1 8 LEU CD1 C 4.028 1.956 3.833 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 12 . 1414 . 1 1 8 LEU CD2 C 2.000 0.723 4.632 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 12 . 1415 . 1 1 8 LEU CG C 2.982 0.902 3.486 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 12 . 1416 . 1 1 8 LEU H H 1.349 1.764 -0.206 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 12 . 1417 . 1 1 8 LEU HA H 3.939 2.012 1.105 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 12 . 1418 . 1 1 8 LEU HB2 H 1.762 2.235 2.362 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 12 . 1419 . 1 1 8 LEU HB3 H 1.473 0.543 2.030 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 12 . 1420 . 1 1 8 LEU HD11 H 3.551 2.919 3.946 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 12 . 1421 . 1 1 8 LEU HD12 H 4.765 2.014 3.047 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 12 . 1422 . 1 1 8 LEU HD13 H 4.514 1.688 4.759 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 12 . 1423 . 1 1 8 LEU HD21 H 1.301 -0.063 4.388 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 12 . 1424 . 1 1 8 LEU HD22 H 1.464 1.647 4.792 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 12 . 1425 . 1 1 8 LEU HD23 H 2.539 0.460 5.530 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 12 . 1426 . 1 1 8 LEU HG H 3.496 -0.034 3.326 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 12 . 1427 . 1 1 8 LEU N N 2.296 1.997 -0.120 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 12 . 1428 . 1 1 8 LEU O O 4.187 -0.737 1.210 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 13 . 1429 . 1 1 1 GLY C C 2.657 -2.727 -0.715 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 13 . 1430 . 1 1 1 GLY CA C 3.468 -1.588 -1.270 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 13 . 1431 . 1 1 1 GLY H1 H 2.349 0.170 -1.138 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 13 . 1432 . 1 1 1 GLY HA2 H 3.345 -1.558 -2.341 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 13 . 1433 . 1 1 1 GLY HA3 H 4.508 -1.751 -1.037 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 13 . 1434 . 1 1 1 GLY N N 3.084 -0.325 -0.721 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 13 . 1435 . 1 1 1 GLY O O 3.110 -3.871 -0.699 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 13 . 1436 . 1 1 2 THR C C -0.627 -3.518 -0.622 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 13 . 1437 . 1 1 2 THR CA C 0.608 -3.452 0.258 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 13 . 1438 . 1 1 2 THR CB C 0.195 -3.187 1.735 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 13 . 1439 . 1 1 2 THR CG2 C 1.408 -3.174 2.651 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 13 . 1440 . 1 1 2 THR H H 1.126 -1.513 -0.248 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 13 . 1441 . 1 1 2 THR HA H 1.140 -4.388 0.199 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 13 . 1442 . 1 1 2 THR HB H -0.469 -3.979 2.047 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 13 . 1443 . 1 1 2 THR HG1 H -0.647 -1.773 2.793 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 13 . 1444 . 1 1 2 THR HG21 H 1.091 -2.987 3.666 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 13 . 1445 . 1 1 2 THR HG22 H 2.087 -2.396 2.335 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 13 . 1446 . 1 1 2 THR HG23 H 1.909 -4.130 2.600 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 13 . 1447 . 1 1 2 THR N N 1.473 -2.432 -0.246 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 13 . 1448 . 1 1 2 THR O O -0.814 -2.659 -1.491 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 13 . 1449 . 1 1 2 THR OG1 O -0.494 -1.933 1.853 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 13 . 1450 . 1 1 3 VAL C C -3.675 -3.546 -0.717 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 13 . 1451 . 1 1 3 VAL CA C -2.696 -4.644 -1.160 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 13 . 1452 . 1 1 3 VAL CB C -3.335 -6.053 -0.945 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 13 . 1453 . 1 1 3 VAL CG1 C -4.610 -6.231 -1.761 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 13 . 1454 . 1 1 3 VAL CG2 C -2.336 -7.148 -1.283 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 13 . 1455 . 1 1 3 VAL H H -1.251 -5.180 0.282 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 13 . 1456 . 1 1 3 VAL HA H -2.466 -4.510 -2.207 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 13 . 1457 . 1 1 3 VAL HB H -3.592 -6.147 0.098 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 13 . 1458 . 1 1 3 VAL HG11 H -5.026 -7.209 -1.571 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 13 . 1459 . 1 1 3 VAL HG12 H -4.379 -6.141 -2.812 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 13 . 1460 . 1 1 3 VAL HG13 H -5.326 -5.472 -1.483 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 13 . 1461 . 1 1 3 VAL HG21 H -2.795 -8.112 -1.127 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 13 . 1462 . 1 1 3 VAL HG22 H -1.468 -7.054 -0.649 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 13 . 1463 . 1 1 3 VAL HG23 H -2.038 -7.055 -2.317 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 13 . 1464 . 1 1 3 VAL N N -1.463 -4.510 -0.404 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 13 . 1465 . 1 1 3 VAL O O -4.517 -3.076 -1.491 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 13 . 1466 . 1 1 4 ALA C C -3.918 -0.716 0.668 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 13 . 1467 . 1 1 4 ALA CA C -4.380 -2.101 1.081 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 13 . 1468 . 1 1 4 ALA CB C -4.410 -2.213 2.585 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 13 . 1469 . 1 1 4 ALA H H -2.826 -3.524 1.076 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 13 . 1470 . 1 1 4 ALA HA H -5.381 -2.263 0.711 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 13 . 1471 . 1 1 4 ALA HB1 H -4.746 -3.199 2.870 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 13 . 1472 . 1 1 4 ALA HB2 H -5.081 -1.469 2.988 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 13 . 1473 . 1 1 4 ALA HB3 H -3.415 -2.047 2.971 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 13 . 1474 . 1 1 4 ALA N N -3.530 -3.121 0.523 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 13 . 1475 . 1 1 4 ALA O O -4.739 0.158 0.374 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 13 . 1476 . 1 1 5 VAL C C -0.927 0.523 -0.736 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 13 . 1477 . 1 1 5 VAL CA C -2.035 0.764 0.284 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 13 . 1478 . 1 1 5 VAL CB C -1.423 1.511 1.526 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 13 . 1479 . 1 1 5 VAL CG1 C -0.888 2.880 1.143 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 13 . 1480 . 1 1 5 VAL CG2 C -2.429 1.655 2.654 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 13 . 1481 . 1 1 5 VAL H H -1.994 -1.239 0.875 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 13 . 1482 . 1 1 5 VAL HA H -2.805 1.378 -0.157 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 13 . 1483 . 1 1 5 VAL HB H -0.591 0.922 1.884 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 13 . 1484 . 1 1 5 VAL HG11 H -0.459 3.354 2.013 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 13 . 1485 . 1 1 5 VAL HG12 H -1.698 3.489 0.769 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 13 . 1486 . 1 1 5 VAL HG13 H -0.133 2.772 0.379 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 13 . 1487 . 1 1 5 VAL HG21 H -3.281 2.215 2.300 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 13 . 1488 . 1 1 5 VAL HG22 H -1.963 2.192 3.468 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 13 . 1489 . 1 1 5 VAL HG23 H -2.745 0.680 2.990 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 13 . 1490 . 1 1 5 VAL N N -2.616 -0.512 0.648 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 13 . 1491 . 1 1 5 VAL O O 0.178 0.099 -0.376 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 13 . 1492 . 1 1 6 GLN C C 0.951 1.489 -2.914 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 13 . 1493 . 1 1 6 GLN CA C -0.254 0.582 -3.079 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 13 . 1494 . 1 1 6 GLN CB C -0.915 0.790 -4.435 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 13 . 1495 . 1 1 6 GLN CD C -1.466 -1.649 -4.786 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 13 . 1496 . 1 1 6 GLN CG C -2.001 -0.229 -4.727 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 13 . 1497 . 1 1 6 GLN H H -2.095 1.164 -2.203 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 13 . 1498 . 1 1 6 GLN HA H 0.086 -0.441 -3.007 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 13 . 1499 . 1 1 6 GLN HB2 H -1.352 1.778 -4.464 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 13 . 1500 . 1 1 6 GLN HB3 H -0.162 0.713 -5.204 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 13 . 1501 . 1 1 6 GLN HE21 H -3.176 -2.364 -4.119 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 13 . 1502 . 1 1 6 GLN HE22 H -1.944 -3.518 -4.438 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 13 . 1503 . 1 1 6 GLN HG2 H -2.749 -0.174 -3.950 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 13 . 1504 . 1 1 6 GLN HG3 H -2.452 0.010 -5.680 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 13 . 1505 . 1 1 6 GLN N N -1.213 0.790 -1.994 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 13 . 1506 . 1 1 6 GLN NE2 N -2.270 -2.594 -4.415 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 13 . 1507 . 1 1 6 GLN O O 2.068 1.111 -3.234 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 13 . 1508 . 1 1 6 GLN OE1 O -0.318 -1.888 -5.170 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 13 . 1509 . 1 1 7 PHE C C 2.801 3.001 -1.080 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 13 . 1510 . 1 1 7 PHE CA C 1.755 3.620 -2.027 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 13 . 1511 . 1 1 7 PHE CB C 1.106 4.886 -1.405 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 13 . 1512 . 1 1 7 PHE CD1 C 2.977 6.518 -0.931 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 13 . 1513 . 1 1 7 PHE CD2 C 1.825 5.527 0.908 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 13 . 1514 . 1 1 7 PHE CE1 C 3.784 7.210 -0.044 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 13 . 1515 . 1 1 7 PHE CE2 C 2.617 6.210 1.793 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 13 . 1516 . 1 1 7 PHE CG C 1.991 5.667 -0.463 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 13 . 1517 . 1 1 7 PHE CZ C 3.601 7.053 1.323 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 13 . 1518 . 1 1 7 PHE H H -0.227 2.903 -2.188 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 13 . 1519 . 1 1 7 PHE HA H 2.251 3.904 -2.942 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 13 . 1520 . 1 1 7 PHE HB2 H 0.815 5.556 -2.200 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 13 . 1521 . 1 1 7 PHE HB3 H 0.220 4.591 -0.863 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 13 . 1522 . 1 1 7 PHE HD1 H 3.116 6.636 -1.995 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 13 . 1523 . 1 1 7 PHE HD2 H 1.055 4.867 1.280 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 13 . 1524 . 1 1 7 PHE HE1 H 4.552 7.872 -0.415 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 13 . 1525 . 1 1 7 PHE HE2 H 2.460 6.075 2.853 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 13 . 1526 . 1 1 7 PHE HZ H 4.226 7.584 2.026 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 13 . 1527 . 1 1 7 PHE N N 0.710 2.662 -2.361 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 13 . 1528 . 1 1 7 PHE O O 4.001 3.272 -1.193 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 13 . 1529 . 1 1 8 LEU C C 3.720 0.184 0.310 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 13 . 1530 . 1 1 8 LEU CA C 3.211 1.543 0.806 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 13 . 1531 . 1 1 8 LEU CB C 2.439 1.387 2.125 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 13 . 1532 . 1 1 8 LEU CD1 C 4.300 2.012 3.702 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 13 . 1533 . 1 1 8 LEU CD2 C 2.321 0.718 4.537 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 13 . 1534 . 1 1 8 LEU CG C 3.246 0.961 3.355 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 13 . 1535 . 1 1 8 LEU H H 1.398 1.894 -0.221 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 13 . 1536 . 1 1 8 LEU HA H 4.050 2.203 0.962 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 13 . 1537 . 1 1 8 LEU HB2 H 1.968 2.333 2.349 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 13 . 1538 . 1 1 8 LEU HB3 H 1.662 0.656 1.966 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 13 . 1539 . 1 1 8 LEU HD11 H 3.820 2.963 3.881 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 13 . 1540 . 1 1 8 LEU HD12 H 4.999 2.112 2.886 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 13 . 1541 . 1 1 8 LEU HD13 H 4.830 1.707 4.592 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 13 . 1542 . 1 1 8 LEU HD21 H 1.782 1.626 4.764 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 13 . 1543 . 1 1 8 LEU HD22 H 2.904 0.422 5.396 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 13 . 1544 . 1 1 8 LEU HD23 H 1.620 -0.066 4.291 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 13 . 1545 . 1 1 8 LEU HG H 3.760 0.038 3.129 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 13 . 1546 . 1 1 8 LEU N N 2.345 2.145 -0.191 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 13 . 1547 . 1 1 8 LEU O O 4.688 -0.376 0.846 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 14 . 1548 . 1 1 1 GLY C C 3.098 -3.050 -0.353 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 14 . 1549 . 1 1 1 GLY CA C 4.040 -2.029 -0.945 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 14 . 1550 . 1 1 1 GLY H1 H 3.419 -0.044 -1.259 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 14 . 1551 . 1 1 1 GLY HA2 H 3.995 -2.107 -2.020 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 14 . 1552 . 1 1 1 GLY HA3 H 5.046 -2.251 -0.620 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 14 . 1553 . 1 1 1 GLY N N 3.714 -0.675 -0.568 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 14 . 1554 . 1 1 1 GLY O O 3.515 -4.149 0.001 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 14 . 1555 . 1 1 2 THR C C -0.368 -3.606 -0.585 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 14 . 1556 . 1 1 2 THR CA C 0.858 -3.604 0.316 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 14 . 1557 . 1 1 2 THR CB C 0.429 -3.218 1.768 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 14 . 1558 . 1 1 2 THR CG2 C 1.617 -3.207 2.723 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 14 . 1559 . 1 1 2 THR H H 1.545 -1.812 -0.541 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 14 . 1560 . 1 1 2 THR HA H 1.301 -4.588 0.325 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 14 . 1561 . 1 1 2 THR HB H -0.290 -3.947 2.108 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 14 . 1562 . 1 1 2 THR HG1 H 0.141 -1.457 1.000 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 14 . 1563 . 1 1 2 THR HG21 H 1.281 -2.943 3.716 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 14 . 1564 . 1 1 2 THR HG22 H 2.342 -2.483 2.384 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 14 . 1565 . 1 1 2 THR HG23 H 2.072 -4.186 2.744 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 14 . 1566 . 1 1 2 THR N N 1.838 -2.694 -0.228 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 14 . 1567 . 1 1 2 THR O O -0.392 -2.904 -1.609 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 14 . 1568 . 1 1 2 THR OG1 O -0.193 -1.927 1.773 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 14 . 1569 . 1 1 3 VAL C C -3.524 -3.257 -0.487 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 14 . 1570 . 1 1 3 VAL CA C -2.614 -4.399 -0.960 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 14 . 1571 . 1 1 3 VAL CB C -3.340 -5.772 -0.783 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 14 . 1572 . 1 1 3 VAL CG1 C -4.615 -5.846 -1.617 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 14 . 1573 . 1 1 3 VAL CG2 C -2.408 -6.925 -1.134 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 14 . 1574 . 1 1 3 VAL H H -1.301 -4.914 0.592 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 14 . 1575 . 1 1 3 VAL HA H -2.381 -4.252 -2.005 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 14 . 1576 . 1 1 3 VAL HB H -3.623 -5.870 0.255 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 14 . 1577 . 1 1 3 VAL HG11 H -5.086 -6.807 -1.474 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 14 . 1578 . 1 1 3 VAL HG12 H -4.371 -5.716 -2.661 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 14 . 1579 . 1 1 3 VAL HG13 H -5.292 -5.065 -1.308 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 14 . 1580 . 1 1 3 VAL HG21 H -2.928 -7.862 -1.003 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 14 . 1581 . 1 1 3 VAL HG22 H -1.545 -6.899 -0.486 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 14 . 1582 . 1 1 3 VAL HG23 H -2.089 -6.829 -2.161 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 14 . 1583 . 1 1 3 VAL N N -1.375 -4.359 -0.215 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 14 . 1584 . 1 1 3 VAL O O -4.308 -2.700 -1.266 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 14 . 1585 . 1 1 4 ALA C C -3.714 -0.470 0.927 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 14 . 1586 . 1 1 4 ALA CA C -4.205 -1.834 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 14 . 1587 . 1 1 4 ALA CB C -4.206 -1.949 2.878 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 14 . 1588 . 1 1 4 ALA H H -2.649 -3.282 1.305 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 14 . 1589 . 1 1 4 ALA HA H -5.212 -1.977 0.998 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 14 . 1590 . 1 1 4 ALA HB1 H -3.201 -1.808 3.248 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 14 . 1591 . 1 1 4 ALA HB2 H -4.563 -2.927 3.166 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 14 . 1592 . 1 1 4 ALA HB3 H -4.852 -1.191 3.295 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 14 . 1593 . 1 1 4 ALA N N -3.365 -2.869 0.773 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 14 . 1594 . 1 1 4 ALA O O -4.504 0.440 0.639 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 14 . 1595 . 1 1 5 VAL C C -0.684 0.465 -0.582 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 14 . 1596 . 1 1 5 VAL CA C -1.765 0.868 0.423 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 14 . 1597 . 1 1 5 VAL CB C -1.123 1.682 1.585 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 14 . 1598 . 1 1 5 VAL CG1 C -0.492 2.945 1.054 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 14 . 1599 . 1 1 5 VAL CG2 C -2.146 2.033 2.656 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 14 . 1600 . 1 1 5 VAL H H -1.850 -1.075 1.207 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 14 . 1601 . 1 1 5 VAL HA H -2.512 1.470 -0.072 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 14 . 1602 . 1 1 5 VAL HB H -0.350 1.076 2.034 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 14 . 1603 . 1 1 5 VAL HG11 H -0.051 3.500 1.868 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 14 . 1604 . 1 1 5 VAL HG12 H -1.247 3.550 0.574 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 14 . 1605 . 1 1 5 VAL HG13 H 0.273 2.691 0.335 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 14 . 1606 . 1 1 5 VAL HG21 H -2.571 1.128 3.063 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 14 . 1607 . 1 1 5 VAL HG22 H -2.925 2.637 2.216 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 14 . 1608 . 1 1 5 VAL HG23 H -1.661 2.592 3.442 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 14 . 1609 . 1 1 5 VAL N N -2.409 -0.331 0.890 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 14 . 1610 . 1 1 5 VAL O O 0.327 -0.157 -0.208 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 14 . 1611 . 1 1 6 GLN C C 1.373 1.056 -2.813 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 14 . 1612 . 1 1 6 GLN CA C 0.012 0.389 -2.907 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 14 . 1613 . 1 1 6 GLN CB C -0.613 0.600 -4.285 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 14 . 1614 . 1 1 6 GLN CD C -2.555 0.052 -5.830 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 14 . 1615 . 1 1 6 GLN CG C -1.891 -0.191 -4.487 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 14 . 1616 . 1 1 6 GLN H H -1.685 1.336 -2.057 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 14 . 1617 . 1 1 6 GLN HA H 0.171 -0.672 -2.770 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 14 . 1618 . 1 1 6 GLN HB2 H -0.831 1.647 -4.427 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 14 . 1619 . 1 1 6 GLN HB3 H 0.096 0.286 -5.037 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 14 . 1620 . 1 1 6 GLN HE21 H -0.806 0.332 -6.753 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 14 . 1621 . 1 1 6 GLN HE22 H -2.217 0.472 -7.718 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 14 . 1622 . 1 1 6 GLN HG2 H -1.658 -1.243 -4.409 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 14 . 1623 . 1 1 6 GLN HG3 H -2.582 0.077 -3.702 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 14 . 1624 . 1 1 6 GLN N N -0.893 0.799 -1.835 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 14 . 1625 . 1 1 6 GLN NE2 N -1.781 0.305 -6.856 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 14 . 1626 . 1 1 6 GLN O O 2.388 0.407 -3.052 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 14 . 1627 . 1 1 6 GLN OE1 O -3.775 -0.017 -5.940 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 14 . 1628 . 1 1 7 PHE C C 3.493 2.557 -1.074 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 14 . 1629 . 1 1 7 PHE CA C 2.709 3.038 -2.294 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 14 . 1630 . 1 1 7 PHE CB C 2.563 4.589 -2.272 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 14 . 1631 . 1 1 7 PHE CD1 C 0.578 5.628 -1.093 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 14 . 1632 . 1 1 7 PHE CD2 C 2.602 5.371 0.141 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 14 . 1633 . 1 1 7 PHE CE1 C -0.017 6.205 0.016 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 14 . 1634 . 1 1 7 PHE CE2 C 2.012 5.940 1.246 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 14 . 1635 . 1 1 7 PHE CG C 1.894 5.201 -1.047 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 14 . 1636 . 1 1 7 PHE CZ C 0.704 6.359 1.186 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 14 . 1637 . 1 1 7 PHE H H 0.574 2.810 -2.239 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 14 . 1638 . 1 1 7 PHE HA H 3.282 2.755 -3.166 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 14 . 1639 . 1 1 7 PHE HB2 H 3.549 5.025 -2.337 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 14 . 1640 . 1 1 7 PHE HB3 H 2.003 4.892 -3.144 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 14 . 1641 . 1 1 7 PHE HD1 H 0.009 5.505 -2.002 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 14 . 1642 . 1 1 7 PHE HD2 H 3.629 5.044 0.191 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 14 . 1643 . 1 1 7 PHE HE1 H -1.045 6.534 -0.033 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 14 . 1644 . 1 1 7 PHE HE2 H 2.578 6.059 2.159 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 14 . 1645 . 1 1 7 PHE HZ H 0.249 6.803 2.060 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 14 . 1646 . 1 1 7 PHE N N 1.415 2.335 -2.415 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 14 . 1647 . 1 1 7 PHE O O 4.641 2.935 -0.867 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 14 . 1648 . 1 1 8 LEU C C 3.854 -0.250 0.678 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 14 . 1649 . 1 1 8 LEU CA C 3.472 1.209 0.924 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 14 . 1650 . 1 1 8 LEU CB C 2.474 1.319 2.082 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 14 . 1651 . 1 1 8 LEU CD1 C 3.998 2.198 3.869 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 14 . 1652 . 1 1 8 LEU CD2 C 1.862 1.054 4.491 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 14 . 1653 . 1 1 8 LEU CG C 3.009 1.102 3.497 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 14 . 1654 . 1 1 8 LEU H H 1.951 1.451 -0.499 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 14 . 1655 . 1 1 8 LEU HA H 4.353 1.791 1.147 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 14 . 1656 . 1 1 8 LEU HB2 H 2.026 2.301 2.046 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 14 . 1657 . 1 1 8 LEU HB3 H 1.698 0.590 1.904 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 14 . 1658 . 1 1 8 LEU HD11 H 4.349 2.038 4.877 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 14 . 1659 . 1 1 8 LEU HD12 H 3.507 3.158 3.805 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 14 . 1660 . 1 1 8 LEU HD13 H 4.836 2.179 3.189 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 14 . 1661 . 1 1 8 LEU HD21 H 1.199 0.239 4.241 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 14 . 1662 . 1 1 8 LEU HD22 H 1.317 1.986 4.452 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 14 . 1663 . 1 1 8 LEU HD23 H 2.254 0.907 5.487 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 14 . 1664 . 1 1 8 LEU HG H 3.527 0.154 3.526 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 14 . 1665 . 1 1 8 LEU N N 2.862 1.731 -0.272 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 14 . 1666 . 1 1 8 LEU O O 4.266 -0.966 1.585 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 15 . 1667 . 1 1 1 GLY C C 2.959 -2.792 -0.626 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 15 . 1668 . 1 1 1 GLY CA C 3.825 -1.672 -1.145 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 15 . 1669 . 1 1 1 GLY H1 H 2.862 0.188 -1.288 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 15 . 1670 . 1 1 1 GLY HA2 H 3.798 -1.674 -2.225 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 15 . 1671 . 1 1 1 GLY HA3 H 4.839 -1.826 -0.812 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 15 . 1672 . 1 1 1 GLY N N 3.376 -0.385 -0.675 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 15 . 1673 . 1 1 1 GLY O O 3.406 -3.939 -0.497 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 15 . 1674 . 1 1 2 THR C C -0.435 -3.416 -0.692 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 15 . 1675 . 1 1 2 THR CA C 0.790 -3.427 0.198 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 15 . 1676 . 1 1 2 THR CB C 0.362 -3.074 1.651 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 15 . 1677 . 1 1 2 THR CG2 C 1.543 -3.074 2.601 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 15 . 1678 . 1 1 2 THR H H 1.422 -1.550 -0.491 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 15 . 1679 . 1 1 2 THR HA H 1.258 -4.400 0.186 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 15 . 1680 . 1 1 2 THR HB H -0.360 -3.804 1.982 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 15 . 1681 . 1 1 2 THR HG1 H -0.098 -1.372 0.813 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 15 . 1682 . 1 1 2 THR HG21 H 1.211 -2.797 3.590 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 15 . 1683 . 1 1 2 THR HG22 H 2.284 -2.369 2.256 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 15 . 1684 . 1 1 2 THR HG23 H 1.972 -4.064 2.632 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 15 . 1685 . 1 1 2 THR N N 1.728 -2.466 -0.321 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 15 . 1686 . 1 1 2 THR O O -0.554 -2.545 -1.547 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 15 . 1687 . 1 1 2 THR OG1 O -0.250 -1.777 1.677 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 15 . 1688 . 1 1 3 VAL C C -3.579 -3.378 -0.658 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 15 . 1689 . 1 1 3 VAL CA C -2.564 -4.368 -1.263 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 15 . 1690 . 1 1 3 VAL CB C -3.156 -5.812 -1.324 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 15 . 1691 . 1 1 3 VAL CG1 C -4.446 -5.866 -2.128 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 15 . 1692 . 1 1 3 VAL CG2 C -2.142 -6.773 -1.920 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 15 . 1693 . 1 1 3 VAL H H -1.175 -5.022 0.195 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 15 . 1694 . 1 1 3 VAL HA H -2.325 -4.038 -2.264 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 15 . 1695 . 1 1 3 VAL HB H -3.369 -6.133 -0.317 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 15 . 1696 . 1 1 3 VAL HG11 H -4.838 -6.872 -2.118 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 15 . 1697 . 1 1 3 VAL HG12 H -4.241 -5.572 -3.146 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 15 . 1698 . 1 1 3 VAL HG13 H -5.169 -5.189 -1.697 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 15 . 1699 . 1 1 3 VAL HG21 H -1.256 -6.791 -1.303 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 15 . 1700 . 1 1 3 VAL HG22 H -1.880 -6.446 -2.915 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 15 . 1701 . 1 1 3 VAL HG23 H -2.569 -7.764 -1.969 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 15 . 1702 . 1 1 3 VAL N N -1.335 -4.334 -0.491 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 15 . 1703 . 1 1 3 VAL O O -4.466 -2.862 -1.353 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 15 . 1704 . 1 1 4 ALA C C -3.961 -0.729 0.912 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 15 . 1705 . 1 1 4 ALA CA C -4.295 -2.153 1.313 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 15 . 1706 . 1 1 4 ALA CB C -4.186 -2.330 2.821 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 15 . 1707 . 1 1 4 ALA H H -2.655 -3.486 1.102 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 15 . 1708 . 1 1 4 ALA HA H -5.307 -2.375 1.005 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 15 . 1709 . 1 1 4 ALA HB1 H -4.863 -1.650 3.315 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 15 . 1710 . 1 1 4 ALA HB2 H -3.173 -2.123 3.134 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 15 . 1711 . 1 1 4 ALA HB3 H -4.440 -3.346 3.083 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 15 . 1712 . 1 1 4 ALA N N -3.406 -3.074 0.621 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 15 . 1713 . 1 1 4 ALA O O -4.845 0.113 0.734 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 15 . 1714 . 1 1 5 VAL C C -1.069 0.502 -0.686 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 15 . 1715 . 1 1 5 VAL CA C -2.180 0.801 0.312 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 15 . 1716 . 1 1 5 VAL CB C -1.606 1.699 1.467 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 15 . 1717 . 1 1 5 VAL CG1 C -1.123 3.034 0.926 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 15 . 1718 . 1 1 5 VAL CG2 C -2.628 1.931 2.573 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 15 . 1719 . 1 1 5 VAL H H -2.038 -1.159 1.053 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 15 . 1720 . 1 1 5 VAL HA H -2.981 1.320 -0.192 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 15 . 1721 . 1 1 5 VAL HB H -0.753 1.187 1.887 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 15 . 1722 . 1 1 5 VAL HG11 H -0.748 3.639 1.740 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 15 . 1723 . 1 1 5 VAL HG12 H -1.939 3.547 0.440 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 15 . 1724 . 1 1 5 VAL HG13 H -0.329 2.859 0.215 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 15 . 1725 . 1 1 5 VAL HG21 H -2.183 2.535 3.350 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 15 . 1726 . 1 1 5 VAL HG22 H -2.941 0.982 2.983 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 15 . 1727 . 1 1 5 VAL HG23 H -3.486 2.446 2.166 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 15 . 1728 . 1 1 5 VAL N N -2.684 -0.466 0.792 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 15 . 1729 . 1 1 5 VAL O O 0.022 0.053 -0.279 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 15 . 1730 . 1 1 6 GLN C C 0.922 1.206 -2.798 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 15 . 1731 . 1 1 6 GLN CA C -0.360 0.421 -3.043 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 15 . 1732 . 1 1 6 GLN CB C -0.918 0.768 -4.428 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 15 . 1733 . 1 1 6 GLN CD C -1.891 -1.530 -4.885 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 15 . 1734 . 1 1 6 GLN CG C -2.133 -0.035 -4.878 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 15 . 1735 . 1 1 6 GLN H H -2.230 1.042 -2.223 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 15 . 1736 . 1 1 6 GLN HA H -0.130 -0.634 -3.004 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 15 . 1737 . 1 1 6 GLN HB2 H -1.196 1.811 -4.435 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 15 . 1738 . 1 1 6 GLN HB3 H -0.135 0.620 -5.156 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 15 . 1739 . 1 1 6 GLN HE21 H -1.092 -1.438 -6.693 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 15 . 1740 . 1 1 6 GLN HE22 H -1.161 -2.999 -5.969 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 15 . 1741 . 1 1 6 GLN HG2 H -2.952 0.172 -4.206 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 15 . 1742 . 1 1 6 GLN HG3 H -2.404 0.277 -5.876 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 15 . 1743 . 1 1 6 GLN N N -1.342 0.701 -1.975 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 15 . 1744 . 1 1 6 GLN NE2 N -1.336 -2.035 -5.949 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 15 . 1745 . 1 1 6 GLN O O 2.019 0.678 -2.910 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 15 . 1746 . 1 1 6 GLN OE1 O -2.172 -2.219 -3.911 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 15 . 1747 . 1 1 7 PHE C C 2.803 2.786 -1.020 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 15 . 1748 . 1 1 7 PHE CA C 1.818 3.377 -2.048 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 15 . 1749 . 1 1 7 PHE CB C 1.178 4.684 -1.524 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 15 . 1750 . 1 1 7 PHE CD1 C 3.022 6.338 -1.084 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 15 . 1751 . 1 1 7 PHE CD2 C 1.830 5.443 0.771 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 15 . 1752 . 1 1 7 PHE CE1 C 3.797 7.079 -0.218 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 15 . 1753 . 1 1 7 PHE CE2 C 2.596 6.179 1.633 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 15 . 1754 . 1 1 7 PHE CG C 2.032 5.511 -0.601 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 15 . 1755 . 1 1 7 PHE CZ C 3.581 6.998 1.141 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 15 . 1756 . 1 1 7 PHE H H -0.181 2.781 -2.369 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 15 . 1757 . 1 1 7 PHE HA H 2.362 3.614 -2.950 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 15 . 1758 . 1 1 7 PHE HB2 H 0.933 5.308 -2.370 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 15 . 1759 . 1 1 7 PHE HB3 H 0.262 4.440 -1.006 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 15 . 1760 . 1 1 7 PHE HD1 H 3.187 6.400 -2.149 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 15 . 1761 . 1 1 7 PHE HD2 H 1.055 4.799 1.159 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 15 . 1762 . 1 1 7 PHE HE1 H 4.572 7.725 -0.601 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 15 . 1763 . 1 1 7 PHE HE2 H 2.424 6.112 2.698 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 15 . 1764 . 1 1 7 PHE HZ H 4.185 7.572 1.826 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 15 . 1765 . 1 1 7 PHE N N 0.742 2.452 -2.402 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 15 . 1766 . 1 1 7 PHE O O 4.006 3.062 -1.063 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 15 . 1767 . 1 1 8 LEU C C 3.677 0.038 0.536 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 15 . 1768 . 1 1 8 LEU CA C 3.122 1.416 0.926 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 15 . 1769 . 1 1 8 LEU CB C 2.293 1.349 2.217 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 15 . 1770 . 1 1 8 LEU CD1 C 4.136 2.049 3.760 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 15 . 1771 . 1 1 8 LEU CD2 C 2.083 0.960 4.675 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 15 . 1772 . 1 1 8 LEU CG C 3.046 1.020 3.505 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 15 . 1773 . 1 1 8 LEU H H 1.369 1.678 -0.212 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 15 . 1774 . 1 1 8 LEU HA H 3.949 2.094 1.078 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 15 . 1775 . 1 1 8 LEU HB2 H 1.807 2.304 2.350 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 15 . 1776 . 1 1 8 LEU HB3 H 1.527 0.600 2.076 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 15 . 1777 . 1 1 8 LEU HD11 H 4.614 1.845 4.707 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 15 . 1778 . 1 1 8 LEU HD12 H 3.707 3.040 3.768 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 15 . 1779 . 1 1 8 LEU HD13 H 4.873 1.992 2.973 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 15 . 1780 . 1 1 8 LEU HD21 H 1.587 1.914 4.784 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 15 . 1781 . 1 1 8 LEU HD22 H 2.629 0.735 5.580 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 15 . 1782 . 1 1 8 LEU HD23 H 1.348 0.190 4.496 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 15 . 1783 . 1 1 8 LEU HG H 3.515 0.053 3.399 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 15 . 1784 . 1 1 8 LEU N N 2.306 1.955 -0.136 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 15 . 1785 . 1 1 8 LEU O O 4.384 -0.617 1.315 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 16 . 1786 . 1 1 1 GLY C C 2.603 -2.827 -0.637 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 16 . 1787 . 1 1 1 GLY CA C 3.488 -1.717 -1.110 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 16 . 1788 . 1 1 1 GLY H1 H 2.362 0.037 -1.040 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 16 . 1789 . 1 1 1 GLY HA2 H 3.468 -1.695 -2.189 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 16 . 1790 . 1 1 1 GLY HA3 H 4.494 -1.903 -0.773 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 16 . 1791 . 1 1 1 GLY N N 3.094 -0.443 -0.604 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 16 . 1792 . 1 1 1 GLY O O 2.827 -3.978 -0.966 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 16 . 1793 . 1 1 2 THR C C -0.513 -3.609 -0.259 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 16 . 1794 . 1 1 2 THR CA C 0.717 -3.499 0.632 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 16 . 1795 . 1 1 2 THR CB C 0.321 -3.199 2.099 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 16 . 1796 . 1 1 2 THR CG2 C 1.561 -3.079 2.969 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 16 . 1797 . 1 1 2 THR H H 1.374 -1.557 0.305 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 16 . 1798 . 1 1 2 THR HA H 1.257 -4.433 0.598 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 16 . 1799 . 1 1 2 THR HB H -0.278 -4.019 2.466 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 16 . 1800 . 1 1 2 THR HG1 H -0.738 -1.931 3.107 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 16 . 1801 . 1 1 2 THR HG21 H 1.271 -2.879 3.989 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 16 . 1802 . 1 1 2 THR HG22 H 2.175 -2.268 2.605 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 16 . 1803 . 1 1 2 THR HG23 H 2.123 -4.000 2.926 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 16 . 1804 . 1 1 2 THR N N 1.586 -2.495 0.112 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 16 . 1805 . 1 1 2 THR O O -0.648 -2.847 -1.231 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 16 . 1806 . 1 1 2 THR OG1 O -0.431 -1.975 2.192 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 16 . 1807 . 1 1 3 VAL C C -3.565 -3.583 -0.435 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 16 . 1808 . 1 1 3 VAL CA C -2.591 -4.709 -0.757 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 16 . 1809 . 1 1 3 VAL CB C -3.270 -6.077 -0.483 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 16 . 1810 . 1 1 3 VAL CG1 C -4.436 -6.313 -1.432 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 16 . 1811 . 1 1 3 VAL CG2 C -2.264 -7.204 -0.586 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 16 . 1812 . 1 1 3 VAL H H -1.238 -5.130 0.804 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 16 . 1813 . 1 1 3 VAL HA H -2.314 -4.650 -1.799 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 16 . 1814 . 1 1 3 VAL HB H -3.661 -6.060 0.523 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 16 . 1815 . 1 1 3 VAL HG11 H -4.079 -6.305 -2.451 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 16 . 1816 . 1 1 3 VAL HG12 H -5.167 -5.531 -1.301 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 16 . 1817 . 1 1 3 VAL HG13 H -4.888 -7.269 -1.216 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 16 . 1818 . 1 1 3 VAL HG21 H -1.827 -7.211 -1.573 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 16 . 1819 . 1 1 3 VAL HG22 H -2.767 -8.143 -0.408 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 16 . 1820 . 1 1 3 VAL HG23 H -1.490 -7.065 0.153 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 16 . 1821 . 1 1 3 VAL N N -1.393 -4.537 0.037 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 16 . 1822 . 1 1 3 VAL O O -4.245 -3.045 -1.326 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 16 . 1823 . 1 1 4 ALA C C -3.948 -0.802 0.862 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 16 . 1824 . 1 1 4 ALA CA C -4.475 -2.153 1.288 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 16 . 1825 . 1 1 4 ALA CB C -4.620 -2.207 2.796 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 16 . 1826 . 1 1 4 ALA H H -3.010 -3.657 1.472 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 16 . 1827 . 1 1 4 ALA HA H -5.448 -2.308 0.846 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 16 . 1828 . 1 1 4 ALA HB1 H -5.333 -1.463 3.120 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 16 . 1829 . 1 1 4 ALA HB2 H -3.661 -2.005 3.250 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 16 . 1830 . 1 1 4 ALA HB3 H -4.957 -3.188 3.093 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 16 . 1831 . 1 1 4 ALA N N -3.600 -3.204 0.829 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 16 . 1832 . 1 1 4 ALA O O -4.711 0.077 0.463 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 16 . 1833 . 1 1 5 VAL C C -0.943 0.305 -0.487 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 16 . 1834 . 1 1 5 VAL CA C -2.028 0.602 0.539 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 16 . 1835 . 1 1 5 VAL CB C -1.407 1.389 1.743 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 16 . 1836 . 1 1 5 VAL CG1 C -0.911 2.756 1.304 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 16 . 1837 . 1 1 5 VAL CG2 C -2.388 1.541 2.896 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 16 . 1838 . 1 1 5 VAL H H -2.058 -1.358 1.246 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 16 . 1839 . 1 1 5 VAL HA H -2.791 1.211 0.073 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 16 . 1840 . 1 1 5 VAL HB H -0.553 0.828 2.091 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 16 . 1841 . 1 1 5 VAL HG11 H -1.735 3.327 0.903 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 16 . 1842 . 1 1 5 VAL HG12 H -0.153 2.633 0.544 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 16 . 1843 . 1 1 5 VAL HG13 H -0.491 3.274 2.153 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 16 . 1844 . 1 1 5 VAL HG21 H -3.265 2.070 2.555 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 16 . 1845 . 1 1 5 VAL HG22 H -1.912 2.112 3.681 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 16 . 1846 . 1 1 5 VAL HG23 H -2.668 0.567 3.270 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 16 . 1847 . 1 1 5 VAL N N -2.644 -0.633 0.934 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 16 . 1848 . 1 1 5 VAL O O 0.203 0.004 -0.127 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 16 . 1849 . 1 1 6 GLN C C 0.787 1.078 -2.812 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 16 . 1850 . 1 1 6 GLN CA C -0.402 0.115 -2.881 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 16 . 1851 . 1 1 6 GLN CB C -1.162 0.267 -4.204 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 16 . 1852 . 1 1 6 GLN CD C -1.167 0.122 -6.721 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 16 . 1853 . 1 1 6 GLN CG C -0.344 -0.011 -5.455 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 16 . 1854 . 1 1 6 GLN H H -2.255 0.563 -1.947 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 16 . 1855 . 1 1 6 GLN HA H -0.033 -0.897 -2.794 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 16 . 1856 . 1 1 6 GLN HB2 H -1.998 -0.416 -4.201 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 16 . 1857 . 1 1 6 GLN HB3 H -1.541 1.276 -4.266 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 16 . 1858 . 1 1 6 GLN HE21 H 0.416 0.740 -7.728 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 16 . 1859 . 1 1 6 GLN HE22 H -1.049 0.623 -8.620 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 16 . 1860 . 1 1 6 GLN HG2 H 0.477 0.689 -5.498 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 16 . 1861 . 1 1 6 GLN HG3 H 0.045 -1.017 -5.398 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 16 . 1862 . 1 1 6 GLN N N -1.315 0.356 -1.756 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 16 . 1863 . 1 1 6 GLN NE2 N -0.543 0.534 -7.786 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 16 . 1864 . 1 1 6 GLN O O 1.911 0.724 -3.162 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 16 . 1865 . 1 1 6 GLN OE1 O -2.376 -0.132 -6.725 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 16 . 1866 . 1 1 7 PHE C C 2.649 2.767 -1.132 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 16 . 1867 . 1 1 7 PHE CA C 1.538 3.292 -2.058 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 16 . 1868 . 1 1 7 PHE CB C 0.862 4.560 -1.469 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 16 . 1869 . 1 1 7 PHE CD1 C 1.681 5.367 0.758 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 16 . 1870 . 1 1 7 PHE CD2 C 2.670 6.309 -1.199 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 16 . 1871 . 1 1 7 PHE CE1 C 2.488 6.134 1.555 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 16 . 1872 . 1 1 7 PHE CE2 C 3.488 7.090 -0.400 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 16 . 1873 . 1 1 7 PHE CG C 1.757 5.439 -0.626 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 16 . 1874 . 1 1 7 PHE CZ C 3.396 7.000 0.982 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 16 . 1875 . 1 1 7 PHE H H -0.418 2.482 -2.100 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 16 . 1876 . 1 1 7 PHE HA H 1.985 3.552 -3.006 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 16 . 1877 . 1 1 7 PHE HB2 H 0.496 5.167 -2.283 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 16 . 1878 . 1 1 7 PHE HB3 H 0.021 4.257 -0.863 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 16 . 1879 . 1 1 7 PHE HD1 H 0.971 4.691 1.212 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 16 . 1880 . 1 1 7 PHE HD2 H 2.739 6.376 -2.274 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 16 . 1881 . 1 1 7 PHE HE1 H 2.399 6.051 2.629 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 16 . 1882 . 1 1 7 PHE HE2 H 4.198 7.767 -0.852 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 16 . 1883 . 1 1 7 PHE HZ H 4.033 7.600 1.615 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 16 . 1884 . 1 1 7 PHE N N 0.521 2.274 -2.303 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 16 . 1885 . 1 1 7 PHE O O 3.833 3.041 -1.347 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 16 . 1886 . 1 1 8 LEU C C 3.709 0.095 0.420 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 16 . 1887 . 1 1 8 LEU CA C 3.198 1.473 0.848 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 16 . 1888 . 1 1 8 LEU CB C 2.506 1.394 2.218 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 16 . 1889 . 1 1 8 LEU CD1 C 4.433 2.165 3.642 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 16 . 1890 . 1 1 8 LEU CD2 C 2.548 0.870 4.670 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 16 . 1891 . 1 1 8 LEU CG C 3.395 1.068 3.423 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 16 . 1892 . 1 1 8 LEU H H 1.323 1.718 -0.084 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 16 . 1893 . 1 1 8 LEU HA H 4.028 2.161 0.909 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 16 . 1894 . 1 1 8 LEU HB2 H 2.026 2.343 2.404 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 16 . 1895 . 1 1 8 LEU HB3 H 1.739 0.637 2.153 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 16 . 1896 . 1 1 8 LEU HD11 H 3.933 3.112 3.795 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 16 . 1897 . 1 1 8 LEU HD12 H 5.077 2.237 2.779 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 16 . 1898 . 1 1 8 LEU HD13 H 5.025 1.930 4.514 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 16 . 1899 . 1 1 8 LEU HD21 H 3.189 0.642 5.508 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 16 . 1900 . 1 1 8 LEU HD22 H 1.858 0.054 4.512 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 16 . 1901 . 1 1 8 LEU HD23 H 1.994 1.774 4.876 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 16 . 1902 . 1 1 8 LEU HG H 3.927 0.149 3.223 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 16 . 1903 . 1 1 8 LEU N N 2.265 1.983 -0.143 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 16 . 1904 . 1 1 8 LEU O O 4.647 -0.460 1.006 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 17 . 1905 . 1 1 1 GLY C C 2.639 -2.867 -0.587 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 17 . 1906 . 1 1 1 GLY CA C 3.395 -1.743 -1.254 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 17 . 1907 . 1 1 1 GLY H1 H 2.324 0.054 -1.164 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 17 . 1908 . 1 1 1 GLY HA2 H 3.193 -1.759 -2.314 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 17 . 1909 . 1 1 1 GLY HA3 H 4.452 -1.886 -1.092 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 17 . 1910 . 1 1 1 GLY N N 3.038 -0.461 -0.734 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 17 . 1911 . 1 1 1 GLY O O 3.078 -4.020 -0.613 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 17 . 1912 . 1 1 2 THR C C -0.532 -3.823 -0.204 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 17 . 1913 . 1 1 2 THR CA C 0.702 -3.547 0.657 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 17 . 1914 . 1 1 2 THR CB C 0.273 -3.098 2.083 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 17 . 1915 . 1 1 2 THR CG2 C 1.475 -2.956 2.999 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 17 . 1916 . 1 1 2 THR H H 1.188 -1.622 0.021 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 17 . 1917 . 1 1 2 THR HA H 1.286 -4.452 0.731 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 17 . 1918 . 1 1 2 THR HB H -0.387 -3.850 2.488 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 17 . 1919 . 1 1 2 THR HG1 H -0.531 -1.534 2.939 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 17 . 1920 . 1 1 2 THR HG21 H 1.147 -2.653 3.982 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 17 . 1921 . 1 1 2 THR HG22 H 2.142 -2.207 2.598 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 17 . 1922 . 1 1 2 THR HG23 H 1.992 -3.901 3.066 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 17 . 1923 . 1 1 2 THR N N 1.516 -2.548 0.014 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 17 . 1924 . 1 1 2 THR O O -0.667 -3.266 -1.312 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 17 . 1925 . 1 1 2 THR OG1 O -0.431 -1.848 2.030 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 17 . 1926 . 1 1 3 VAL C C -3.694 -3.901 -0.166 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 17 . 1927 . 1 1 3 VAL CA C -2.640 -4.981 -0.446 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 17 . 1928 . 1 1 3 VAL CB C -3.180 -6.385 -0.028 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 17 . 1929 . 1 1 3 VAL CG1 C -4.389 -6.795 -0.852 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 17 . 1930 . 1 1 3 VAL CG2 C -2.087 -7.432 -0.138 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 17 . 1931 . 1 1 3 VAL H H -1.289 -5.070 1.160 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 17 . 1932 . 1 1 3 VAL HA H -2.409 -4.986 -1.501 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 17 . 1933 . 1 1 3 VAL HB H -3.492 -6.333 1.005 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 17 . 1934 . 1 1 3 VAL HG11 H -5.180 -6.071 -0.720 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 17 . 1935 . 1 1 3 VAL HG12 H -4.728 -7.767 -0.528 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 17 . 1936 . 1 1 3 VAL HG13 H -4.114 -6.843 -1.894 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 17 . 1937 . 1 1 3 VAL HG21 H -1.274 -7.164 0.520 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 17 . 1938 . 1 1 3 VAL HG22 H -1.727 -7.470 -1.156 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 17 . 1939 . 1 1 3 VAL HG23 H -2.475 -8.400 0.143 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 17 . 1940 . 1 1 3 VAL N N -1.424 -4.655 0.280 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 17 . 1941 . 1 1 3 VAL O O -4.634 -3.696 -0.938 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 17 . 1942 . 1 1 4 ALA C C -3.965 -0.821 0.779 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 17 . 1943 . 1 1 4 ALA CA C -4.442 -2.158 1.319 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 17 . 1944 . 1 1 4 ALA CB C -4.591 -2.097 2.830 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 17 . 1945 . 1 1 4 ALA H H -2.793 -3.455 1.544 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 17 . 1946 . 1 1 4 ALA HA H -5.408 -2.374 0.891 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 17 . 1947 . 1 1 4 ALA HB1 H -3.637 -1.860 3.275 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 17 . 1948 . 1 1 4 ALA HB2 H -4.933 -3.054 3.198 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 17 . 1949 . 1 1 4 ALA HB3 H -5.308 -1.333 3.090 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 17 . 1950 . 1 1 4 ALA N N -3.535 -3.219 0.946 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 17 . 1951 . 1 1 4 ALA O O -4.763 -0.007 0.309 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 17 . 1952 . 1 1 5 VAL C C -1.027 0.368 -0.679 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 17 . 1953 . 1 1 5 VAL CA C -2.102 0.649 0.371 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 17 . 1954 . 1 1 5 VAL CB C -1.492 1.467 1.562 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 17 . 1955 . 1 1 5 VAL CG1 C -0.925 2.790 1.094 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 17 . 1956 . 1 1 5 VAL CG2 C -2.528 1.716 2.646 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 17 . 1957 . 1 1 5 VAL H H -2.050 -1.271 1.184 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 17 . 1958 . 1 1 5 VAL HA H -2.893 1.229 -0.081 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 17 . 1959 . 1 1 5 VAL HB H -0.687 0.889 1.990 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 17 . 1960 . 1 1 5 VAL HG11 H -0.161 2.610 0.353 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 17 . 1961 . 1 1 5 VAL HG12 H -0.497 3.310 1.938 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 17 . 1962 . 1 1 5 VAL HG13 H -1.714 3.390 0.665 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 17 . 1963 . 1 1 5 VAL HG21 H -2.866 0.774 3.051 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 17 . 1964 . 1 1 5 VAL HG22 H -3.364 2.249 2.221 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 17 . 1965 . 1 1 5 VAL HG23 H -2.083 2.313 3.429 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 17 . 1966 . 1 1 5 VAL N N -2.672 -0.596 0.829 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 17 . 1967 . 1 1 5 VAL O O 0.082 -0.083 -0.350 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 17 . 1968 . 1 1 6 GLN C C 0.791 1.293 -2.919 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 17 . 1969 . 1 1 6 GLN CA C -0.441 0.393 -3.057 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 17 . 1970 . 1 1 6 GLN CB C -1.156 0.637 -4.391 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 17 . 1971 . 1 1 6 GLN CD C -1.096 0.449 -6.915 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 17 . 1972 . 1 1 6 GLN CG C -0.329 0.274 -5.619 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 17 . 1973 . 1 1 6 GLN H H -2.258 0.970 -2.119 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 17 . 1974 . 1 1 6 GLN HA H -0.120 -0.637 -3.005 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 17 . 1975 . 1 1 6 GLN HB2 H -2.064 0.054 -4.413 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 17 . 1976 . 1 1 6 GLN HB3 H -1.414 1.684 -4.456 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 17 . 1977 . 1 1 6 GLN HE21 H 0.578 0.788 -7.899 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 17 . 1978 . 1 1 6 GLN HE22 H -0.869 0.826 -8.836 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 17 . 1979 . 1 1 6 GLN HG2 H 0.543 0.910 -5.649 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 17 . 1980 . 1 1 6 GLN HG3 H -0.018 -0.756 -5.535 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 17 . 1981 . 1 1 6 GLN N N -1.358 0.620 -1.936 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 17 . 1982 . 1 1 6 GLN NE2 N -0.395 0.715 -7.983 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 17 . 1983 . 1 1 6 GLN O O 1.904 0.905 -3.268 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 17 . 1984 . 1 1 6 GLN OE1 O -2.322 0.319 -6.950 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 17 . 1985 . 1 1 7 PHE C C 2.698 2.831 -1.144 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 17 . 1986 . 1 1 7 PHE CA C 1.616 3.442 -2.045 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 17 . 1987 . 1 1 7 PHE CB C 0.959 4.688 -1.379 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 17 . 1988 . 1 1 7 PHE CD1 C 2.688 6.491 -0.983 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 17 . 1989 . 1 1 7 PHE CD2 C 1.847 5.286 0.894 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 17 . 1990 . 1 1 7 PHE CE1 C 3.499 7.229 -0.134 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 17 . 1991 . 1 1 7 PHE CE2 C 2.647 6.011 1.739 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 17 . 1992 . 1 1 7 PHE CG C 1.855 5.510 -0.478 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 17 . 1993 . 1 1 7 PHE CZ C 3.476 6.984 1.231 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 17 . 1994 . 1 1 7 PHE H H -0.362 2.709 -2.161 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 17 . 1995 . 1 1 7 PHE HA H 2.074 3.755 -2.971 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 17 . 1996 . 1 1 7 PHE HB2 H 0.604 5.348 -2.156 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 17 . 1997 . 1 1 7 PHE HB3 H 0.111 4.362 -0.797 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 17 . 1998 . 1 1 7 PHE HD1 H 2.705 6.679 -2.047 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 17 . 1999 . 1 1 7 PHE HD2 H 1.199 4.523 1.299 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 17 . 2000 . 1 1 7 PHE HE1 H 4.147 7.995 -0.535 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 17 . 2001 . 1 1 7 PHE HE2 H 2.619 5.812 2.800 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 17 . 2002 . 1 1 7 PHE HZ H 4.105 7.548 1.904 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 17 . 2003 . 1 1 7 PHE N N 0.570 2.470 -2.360 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 17 . 2004 . 1 1 7 PHE O O 3.885 3.088 -1.320 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 17 . 2005 . 1 1 8 LEU C C 3.677 0.050 0.288 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 17 . 2006 . 1 1 8 LEU CA C 3.193 1.426 0.754 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 17 . 2007 . 1 1 8 LEU CB C 2.487 1.319 2.110 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 17 . 2008 . 1 1 8 LEU CD1 C 4.427 1.957 3.570 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 17 . 2009 . 1 1 8 LEU CD2 C 2.485 0.702 4.526 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 17 . 2010 . 1 1 8 LEU CG C 3.350 0.910 3.301 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 17 . 2011 . 1 1 8 LEU H H 1.335 1.746 -0.206 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 17 . 2012 . 1 1 8 LEU HA H 4.040 2.088 0.849 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 17 . 2013 . 1 1 8 LEU HB2 H 2.044 2.278 2.331 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 17 . 2014 . 1 1 8 LEU HB3 H 1.691 0.596 2.010 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 17 . 2015 . 1 1 8 LEU HD11 H 5.078 2.037 2.712 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 17 . 2016 . 1 1 8 LEU HD12 H 5.006 1.671 4.434 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 17 . 2017 . 1 1 8 LEU HD13 H 3.959 2.913 3.751 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 17 . 2018 . 1 1 8 LEU HD21 H 3.107 0.402 5.356 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 17 . 2019 . 1 1 8 LEU HD22 H 1.755 -0.068 4.326 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 17 . 2020 . 1 1 8 LEU HD23 H 1.981 1.624 4.771 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 17 . 2021 . 1 1 8 LEU HG H 3.847 -0.022 3.072 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 17 . 2022 . 1 1 8 LEU N N 2.283 1.998 -0.221 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 17 . 2023 . 1 1 8 LEU O O 4.625 -0.528 0.841 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 18 . 2024 . 1 1 1 GLY C C 2.970 -3.018 -0.240 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 18 . 2025 . 1 1 1 GLY CA C 3.907 -1.957 -0.752 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 18 . 2026 . 1 1 1 GLY H1 H 2.697 -0.264 -0.853 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 18 . 2027 . 1 1 1 GLY HA2 H 3.973 -2.033 -1.826 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 18 . 2028 . 1 1 1 GLY HA3 H 4.881 -2.108 -0.319 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 18 . 2029 . 1 1 1 GLY N N 3.475 -0.646 -0.398 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 18 . 2030 . 1 1 1 GLY O O 3.338 -4.189 -0.148 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 18 . 2031 . 1 1 2 THR C C -0.357 -3.545 -0.448 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 18 . 2032 . 1 1 2 THR CA C 0.781 -3.555 0.561 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 18 . 2033 . 1 1 2 THR CB C 0.254 -3.213 1.984 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 18 . 2034 . 1 1 2 THR CG2 C 1.383 -3.253 2.999 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 18 . 2035 . 1 1 2 THR H H 1.510 -1.675 0.104 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 18 . 2036 . 1 1 2 THR HA H 1.233 -4.536 0.572 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 18 . 2037 . 1 1 2 THR HB H -0.482 -3.953 2.259 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 18 . 2038 . 1 1 2 THR HG1 H -0.596 -1.742 2.933 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 18 . 2039 . 1 1 2 THR HG21 H 2.158 -2.562 2.701 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 18 . 2040 . 1 1 2 THR HG22 H 1.785 -4.252 3.058 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 18 . 2041 . 1 1 2 THR HG23 H 1.003 -2.964 3.968 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 18 . 2042 . 1 1 2 THR N N 1.774 -2.620 0.125 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 18 . 2043 . 1 1 2 THR O O -0.278 -2.838 -1.469 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 18 . 2044 . 1 1 2 THR OG1 O -0.359 -1.912 2.011 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 18 . 2045 . 1 1 3 VAL C C -3.460 -3.172 -0.728 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 18 . 2046 . 1 1 3 VAL CA C -2.530 -4.326 -1.093 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 18 . 2047 . 1 1 3 VAL CB C -3.294 -5.682 -1.016 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 18 . 2048 . 1 1 3 VAL CG1 C -4.467 -5.724 -1.990 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 18 . 2049 . 1 1 3 VAL CG2 C -2.348 -6.841 -1.283 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 18 . 2050 . 1 1 3 VAL H H -1.419 -4.864 0.609 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 18 . 2051 . 1 1 3 VAL HA H -2.165 -4.176 -2.098 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 18 . 2052 . 1 1 3 VAL HB H -3.686 -5.791 -0.016 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 18 . 2053 . 1 1 3 VAL HG11 H -4.975 -6.673 -1.903 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 18 . 2054 . 1 1 3 VAL HG12 H -4.099 -5.606 -2.999 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 18 . 2055 . 1 1 3 VAL HG13 H -5.156 -4.923 -1.762 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 18 . 2056 . 1 1 3 VAL HG21 H -2.892 -7.772 -1.234 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 18 . 2057 . 1 1 3 VAL HG22 H -1.562 -6.842 -0.542 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 18 . 2058 . 1 1 3 VAL HG23 H -1.915 -6.728 -2.266 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 18 . 2059 . 1 1 3 VAL N N -1.392 -4.306 -0.199 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 18 . 2060 . 1 1 3 VAL O O -4.111 -2.579 -1.586 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 18 . 2061 . 1 1 4 ALA C C -3.736 -0.414 0.697 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 18 . 2062 . 1 1 4 ALA CA C -4.321 -1.765 1.047 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 18 . 2063 . 1 1 4 ALA CB C -4.509 -1.893 2.550 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 18 . 2064 . 1 1 4 ALA H H -2.889 -3.312 1.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 18 . 2065 . 1 1 4 ALA HA H -5.284 -1.865 0.571 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 18 . 2066 . 1 1 4 ALA HB1 H -5.180 -1.121 2.896 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 18 . 2067 . 1 1 4 ALA HB2 H -3.552 -1.784 3.039 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 18 . 2068 . 1 1 4 ALA HB3 H -4.924 -2.862 2.781 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 18 . 2069 . 1 1 4 ALA N N -3.472 -2.827 0.551 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 18 . 2070 . 1 1 4 ALA O O -4.456 0.509 0.307 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 18 . 2071 . 1 1 5 VAL C C -0.644 0.537 -0.508 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 18 . 2072 . 1 1 5 VAL CA C -1.729 0.902 0.482 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 18 . 2073 . 1 1 5 VAL CB C -1.112 1.585 1.733 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 18 . 2074 . 1 1 5 VAL CG1 C -0.452 2.893 1.358 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 18 . 2075 . 1 1 5 VAL CG2 C -2.165 1.834 2.787 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 18 . 2076 . 1 1 5 VAL H H -1.897 -1.072 1.114 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 18 . 2077 . 1 1 5 VAL HA H -2.431 1.573 0.006 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 18 . 2078 . 1 1 5 VAL HB H -0.361 0.928 2.147 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 18 . 2079 . 1 1 5 VAL HG11 H 0.322 2.711 0.627 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 18 . 2080 . 1 1 5 VAL HG12 H -0.018 3.342 2.239 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 18 . 2081 . 1 1 5 VAL HG13 H -1.189 3.563 0.942 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 18 . 2082 . 1 1 5 VAL HG21 H -2.919 2.487 2.374 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 18 . 2083 . 1 1 5 VAL HG22 H -1.705 2.307 3.641 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 18 . 2084 . 1 1 5 VAL HG23 H -2.615 0.897 3.081 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 18 . 2085 . 1 1 5 VAL N N -2.434 -0.306 0.810 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 18 . 2086 . 1 1 5 VAL O O 0.416 0.001 -0.142 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 18 . 2087 . 1 1 6 GLN C C 1.304 1.085 -2.803 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 18 . 2088 . 1 1 6 GLN CA C -0.037 0.367 -2.807 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 18 . 2089 . 1 1 6 GLN CB C -0.737 0.443 -4.157 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 18 . 2090 . 1 1 6 GLN CD C -2.669 -0.411 -5.544 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 18 . 2091 . 1 1 6 GLN CG C -2.047 -0.332 -4.178 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 18 . 2092 . 1 1 6 GLN H H -1.698 1.343 -1.955 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 18 . 2093 . 1 1 6 GLN HA H 0.167 -0.670 -2.595 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 18 . 2094 . 1 1 6 GLN HB2 H -0.946 1.477 -4.387 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 18 . 2095 . 1 1 6 GLN HB3 H -0.090 0.034 -4.917 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 18 . 2096 . 1 1 6 GLN HE21 H -1.764 -2.129 -5.881 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 18 . 2097 . 1 1 6 GLN HE22 H -2.798 -1.558 -7.135 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 18 . 2098 . 1 1 6 GLN HG2 H -1.863 -1.338 -3.830 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 18 . 2099 . 1 1 6 GLN HG3 H -2.741 0.150 -3.507 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 18 . 2100 . 1 1 6 GLN N N -0.900 0.806 -1.747 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 18 . 2101 . 1 1 6 GLN NE2 N -2.372 -1.459 -6.258 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 18 . 2102 . 1 1 6 GLN O O 2.336 0.456 -3.051 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 18 . 2103 . 1 1 6 GLN OE1 O -3.439 0.462 -5.945 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 18 . 2104 . 1 1 7 PHE C C 3.460 2.631 -1.244 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 18 . 2105 . 1 1 7 PHE CA C 2.586 3.118 -2.397 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 18 . 2106 . 1 1 7 PHE CB C 2.394 4.664 -2.318 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 18 . 2107 . 1 1 7 PHE CD1 C 0.544 5.601 -0.864 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 18 . 2108 . 1 1 7 PHE CD2 C 2.726 5.441 0.082 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 18 . 2109 . 1 1 7 PHE CE1 C 0.079 6.155 0.318 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 18 . 2110 . 1 1 7 PHE CE2 C 2.264 5.983 1.261 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 18 . 2111 . 1 1 7 PHE CG C 1.869 5.236 -1.002 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 18 . 2112 . 1 1 7 PHE CZ C 0.942 6.343 1.380 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 18 . 2113 . 1 1 7 PHE H H 0.467 2.822 -2.235 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 18 . 2114 . 1 1 7 PHE HA H 3.105 2.875 -3.313 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 18 . 2115 . 1 1 7 PHE HB2 H 3.347 5.136 -2.503 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 18 . 2116 . 1 1 7 PHE HB3 H 1.713 4.959 -3.103 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 18 . 2117 . 1 1 7 PHE HD1 H -0.138 5.448 -1.686 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 18 . 2118 . 1 1 7 PHE HD2 H 3.764 5.157 0.003 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 18 . 2119 . 1 1 7 PHE HE1 H -0.959 6.436 0.411 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 18 . 2120 . 1 1 7 PHE HE2 H 2.941 6.130 2.089 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 18 . 2121 . 1 1 7 PHE HZ H 0.582 6.772 2.303 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 18 . 2122 . 1 1 7 PHE N N 1.317 2.374 -2.439 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 18 . 2123 . 1 1 7 PHE O O 4.662 2.893 -1.199 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 18 . 2124 . 1 1 8 LEU C C 4.132 0.060 0.497 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 18 . 2125 . 1 1 8 LEU CA C 3.533 1.416 0.832 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 18 . 2126 . 1 1 8 LEU CB C 2.546 1.269 1.985 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 18 . 2127 . 1 1 8 LEU CD1 C 3.994 2.045 3.839 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 18 . 2128 . 1 1 8 LEU CD2 C 2.019 0.602 4.325 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 18 . 2129 . 1 1 8 LEU CG C 3.127 0.914 3.337 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 18 . 2130 . 1 1 8 LEU H H 1.886 1.758 -0.426 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 18 . 2131 . 1 1 8 LEU HA H 4.310 2.108 1.116 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 18 . 2132 . 1 1 8 LEU HB2 H 2.014 2.202 2.088 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 18 . 2133 . 1 1 8 LEU HB3 H 1.835 0.503 1.712 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 18 . 2134 . 1 1 8 LEU HD11 H 4.385 1.791 4.813 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 18 . 2135 . 1 1 8 LEU HD12 H 3.403 2.946 3.904 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 18 . 2136 . 1 1 8 LEU HD13 H 4.813 2.209 3.154 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 18 . 2137 . 1 1 8 LEU HD21 H 2.453 0.348 5.281 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 18 . 2138 . 1 1 8 LEU HD22 H 1.436 -0.232 3.961 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 18 . 2139 . 1 1 8 LEU HD23 H 1.382 1.467 4.437 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 18 . 2140 . 1 1 8 LEU HG H 3.748 0.037 3.232 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 18 . 2141 . 1 1 8 LEU N N 2.845 1.932 -0.320 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 18 . 2142 . 1 1 8 LEU O O 5.192 -0.319 1.013 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 19 . 2143 . 1 1 1 GLY C C 2.489 -2.754 -1.084 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 19 . 2144 . 1 1 1 GLY CA C 3.184 -1.595 -1.749 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 19 . 2145 . 1 1 1 GLY H1 H 2.352 0.321 -1.512 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 19 . 2146 . 1 1 1 GLY HA2 H 2.844 -1.522 -2.772 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 19 . 2147 . 1 1 1 GLY HA3 H 4.248 -1.778 -1.745 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 19 . 2148 . 1 1 1 GLY N N 2.931 -0.344 -1.082 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 19 . 2149 . 1 1 1 GLY O O 2.950 -3.898 -1.179 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 19 . 2150 . 1 1 2 THR C C -0.671 -3.704 -0.440 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 19 . 2151 . 1 1 2 THR CA C 0.656 -3.487 0.273 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 19 . 2152 . 1 1 2 THR CB C 0.413 -3.080 1.745 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 19 . 2153 . 1 1 2 THR CG2 C 1.735 -2.915 2.478 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 19 . 2154 . 1 1 2 THR H H 1.037 -1.561 -0.379 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 19 . 2155 . 1 1 2 THR HA H 1.228 -4.401 0.251 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 19 . 2156 . 1 1 2 THR HB H -0.160 -3.855 2.227 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 19 . 2157 . 1 1 2 THR HG1 H -0.440 -1.630 2.736 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 19 . 2158 . 1 1 2 THR HG21 H 2.291 -3.839 2.427 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 19 . 2159 . 1 1 2 THR HG22 H 1.549 -2.670 3.513 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 19 . 2160 . 1 1 2 THR HG23 H 2.309 -2.126 2.015 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 19 . 2161 . 1 1 2 THR N N 1.396 -2.475 -0.415 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 19 . 2162 . 1 1 2 THR O O -0.941 -3.052 -1.462 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 19 . 2163 . 1 1 2 THR OG1 O -0.318 -1.847 1.804 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 19 . 2164 . 1 1 3 VAL C C -3.749 -3.730 -0.224 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 19 . 2165 . 1 1 3 VAL CA C -2.775 -4.869 -0.534 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 19 . 2166 . 1 1 3 VAL CB C -3.359 -6.232 -0.045 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 19 . 2167 . 1 1 3 VAL CG1 C -4.717 -6.519 -0.684 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 19 . 2168 . 1 1 3 VAL CG2 C -2.389 -7.368 -0.352 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 19 . 2169 . 1 1 3 VAL H H -1.232 -5.083 0.884 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 19 . 2170 . 1 1 3 VAL HA H -2.629 -4.913 -1.602 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 19 . 2171 . 1 1 3 VAL HB H -3.492 -6.181 1.026 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 19 . 2172 . 1 1 3 VAL HG11 H -5.410 -5.733 -0.422 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 19 . 2173 . 1 1 3 VAL HG12 H -5.093 -7.465 -0.323 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 19 . 2174 . 1 1 3 VAL HG13 H -4.608 -6.561 -1.757 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 19 . 2175 . 1 1 3 VAL HG21 H -2.239 -7.430 -1.420 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 19 . 2176 . 1 1 3 VAL HG22 H -2.797 -8.301 0.009 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 19 . 2177 . 1 1 3 VAL HG23 H -1.443 -7.176 0.131 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 19 . 2178 . 1 1 3 VAL N N -1.489 -4.594 0.071 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 19 . 2179 . 1 1 3 VAL O O -4.561 -3.342 -1.070 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 19 . 2180 . 1 1 4 ALA C C -4.062 -0.760 0.833 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 19 . 2181 . 1 1 4 ALA CA C -4.514 -2.100 1.381 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 19 . 2182 . 1 1 4 ALA CB C -4.609 -2.050 2.900 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 19 . 2183 . 1 1 4 ALA H H -2.924 -3.468 1.574 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 19 . 2184 . 1 1 4 ALA HA H -5.497 -2.319 0.990 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 19 . 2185 . 1 1 4 ALA HB1 H -3.640 -1.810 3.312 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 19 . 2186 . 1 1 4 ALA HB2 H -4.932 -3.010 3.273 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 19 . 2187 . 1 1 4 ALA HB3 H -5.321 -1.292 3.191 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 19 . 2188 . 1 1 4 ALA N N -3.628 -3.163 0.960 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 19 . 2189 . 1 1 4 ALA O O -4.881 0.055 0.414 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 19 . 2190 . 1 1 5 VAL C C -1.172 0.476 -0.711 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 19 . 2191 . 1 1 5 VAL CA C -2.224 0.726 0.365 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 19 . 2192 . 1 1 5 VAL CB C -1.579 1.539 1.536 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 19 . 2193 . 1 1 5 VAL CG1 C -1.129 2.907 1.063 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 19 . 2194 . 1 1 5 VAL CG2 C -2.530 1.680 2.719 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 19 . 2195 . 1 1 5 VAL H H -2.126 -1.226 1.105 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 19 . 2196 . 1 1 5 VAL HA H -3.032 1.305 -0.058 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 19 . 2197 . 1 1 5 VAL HB H -0.703 1.001 1.864 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 19 . 2198 . 1 1 5 VAL HG11 H -0.704 3.460 1.886 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 19 . 2199 . 1 1 5 VAL HG12 H -1.974 3.449 0.667 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 19 . 2200 . 1 1 5 VAL HG13 H -0.383 2.780 0.292 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 19 . 2201 . 1 1 5 VAL HG21 H -2.773 0.703 3.108 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 19 . 2202 . 1 1 5 VAL HG22 H -3.433 2.173 2.395 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 19 . 2203 . 1 1 5 VAL HG23 H -2.052 2.270 3.488 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 19 . 2204 . 1 1 5 VAL N N -2.764 -0.535 0.819 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 19 . 2205 . 1 1 5 VAL O O -0.062 0.005 -0.415 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 19 . 2206 . 1 1 6 GLN C C 0.631 1.502 -2.897 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 19 . 2207 . 1 1 6 GLN CA C -0.598 0.620 -3.079 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 19 . 2208 . 1 1 6 GLN CB C -1.298 0.946 -4.404 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 19 . 2209 . 1 1 6 GLN CD C 0.064 -0.681 -5.777 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 19 . 2210 . 1 1 6 GLN CG C -0.424 0.747 -5.637 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 19 . 2211 . 1 1 6 GLN H H -2.398 1.178 -2.108 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 19 . 2212 . 1 1 6 GLN HA H -0.281 -0.412 -3.087 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 19 . 2213 . 1 1 6 GLN HB2 H -2.166 0.312 -4.501 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 19 . 2214 . 1 1 6 GLN HB3 H -1.614 1.978 -4.378 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 19 . 2215 . 1 1 6 GLN HE21 H 1.743 -0.049 -6.573 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 19 . 2216 . 1 1 6 GLN HE22 H 1.600 -1.755 -6.399 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 19 . 2217 . 1 1 6 GLN HG2 H -0.995 1.001 -6.517 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 19 . 2218 . 1 1 6 GLN HG3 H 0.433 1.399 -5.563 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 19 . 2219 . 1 1 6 GLN N N -1.506 0.797 -1.947 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 19 . 2220 . 1 1 6 GLN NE2 N 1.241 -0.847 -6.298 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 19 . 2221 . 1 1 6 GLN O O 1.738 1.126 -3.273 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 19 . 2222 . 1 1 6 GLN OE1 O -0.612 -1.627 -5.382 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 19 . 2223 . 1 1 7 PHE C C 2.559 2.921 -1.043 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 19 . 2224 . 1 1 7 PHE CA C 1.484 3.576 -1.932 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 19 . 2225 . 1 1 7 PHE CB C 0.866 4.829 -1.262 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 19 . 2226 . 1 1 7 PHE CD1 C 2.693 6.519 -0.878 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 19 . 2227 . 1 1 7 PHE CD2 C 1.753 5.403 0.999 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 19 . 2228 . 1 1 7 PHE CE1 C 3.538 7.212 -0.031 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 19 . 2229 . 1 1 7 PHE CE2 C 2.584 6.086 1.837 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 19 . 2230 . 1 1 7 PHE CG C 1.792 5.605 -0.369 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 19 . 2231 . 1 1 7 PHE CZ C 3.480 6.990 1.330 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 19 . 2232 . 1 1 7 PHE H H -0.502 2.873 -2.042 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 19 . 2233 . 1 1 7 PHE HA H 1.951 3.880 -2.856 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 19 . 2234 . 1 1 7 PHE HB2 H 0.533 5.505 -2.036 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 19 . 2235 . 1 1 7 PHE HB3 H 0.007 4.533 -0.679 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 19 . 2236 . 1 1 7 PHE HD1 H 2.733 6.687 -1.943 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 19 . 2237 . 1 1 7 PHE HD2 H 1.051 4.691 1.406 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 19 . 2238 . 1 1 7 PHE HE1 H 4.241 7.927 -0.430 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 19 . 2239 . 1 1 7 PHE HE2 H 2.531 5.905 2.899 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 19 . 2240 . 1 1 7 PHE HZ H 4.134 7.518 2.006 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 19 . 2241 . 1 1 7 PHE N N 0.425 2.641 -2.272 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 19 . 2242 . 1 1 7 PHE O O 3.740 3.262 -1.122 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 19 . 2243 . 1 1 8 LEU C C 3.471 -0.057 0.087 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 19 . 2244 . 1 1 8 LEU CA C 3.111 1.321 0.646 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 19 . 2245 . 1 1 8 LEU CB C 2.544 1.220 2.062 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 19 . 2246 . 1 1 8 LEU CD1 C 4.674 1.794 3.246 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 19 . 2247 . 1 1 8 LEU CD2 C 2.833 0.641 4.473 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 19 . 2248 . 1 1 8 LEU CG C 3.532 0.795 3.145 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 19 . 2249 . 1 1 8 LEU H H 1.225 1.683 -0.215 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 19 . 2250 . 1 1 8 LEU HA H 4.002 1.931 0.660 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 19 . 2251 . 1 1 8 LEU HB2 H 2.143 2.186 2.330 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 19 . 2252 . 1 1 8 LEU HB3 H 1.732 0.507 2.048 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 19 . 2253 . 1 1 8 LEU HD11 H 4.271 2.781 3.413 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 19 . 2254 . 1 1 8 LEU HD12 H 5.252 1.789 2.335 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 19 . 2255 . 1 1 8 LEU HD13 H 5.315 1.530 4.075 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 19 . 2256 . 1 1 8 LEU HD21 H 2.072 -0.119 4.387 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 19 . 2257 . 1 1 8 LEU HD22 H 2.377 1.579 4.750 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 19 . 2258 . 1 1 8 LEU HD23 H 3.547 0.348 5.228 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 19 . 2259 . 1 1 8 LEU HG H 3.952 -0.161 2.865 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 19 . 2260 . 1 1 8 LEU N N 2.164 1.968 -0.228 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 19 . 2261 . 1 1 8 LEU O O 4.232 -0.825 0.690 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 . 20 . 2262 . 1 1 1 GLY C C 2.766 -2.776 -0.668 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30747_6wpv 1 . 20 . 2263 . 1 1 1 GLY CA C 3.444 -1.634 -1.375 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30747_6wpv 1 . 20 . 2264 . 1 1 1 GLY H1 H 2.430 0.196 -1.296 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30747_6wpv 1 . 20 . 2265 . 1 1 1 GLY HA2 H 3.169 -1.649 -2.419 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30747_6wpv 1 . 20 . 2266 . 1 1 1 GLY HA3 H 4.514 -1.754 -1.290 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30747_6wpv 1 . 20 . 2267 . 1 1 1 GLY N N 3.071 -0.370 -0.816 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30747_6wpv 1 . 20 . 2268 . 1 1 1 GLY O O 3.355 -3.850 -0.505 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30747_6wpv 1 . 20 . 2269 . 1 1 2 THR C C -0.520 -3.775 -0.310 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30747_6wpv 1 . 20 . 2270 . 1 1 2 THR CA C 0.783 -3.557 0.452 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30747_6wpv 1 . 20 . 2271 . 1 1 2 THR CB C 0.481 -3.147 1.921 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30747_6wpv 1 . 20 . 2272 . 1 1 2 THR CG2 C 1.765 -3.014 2.723 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30747_6wpv 1 . 20 . 2273 . 1 1 2 THR H H 1.124 -1.672 -0.343 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30747_6wpv 1 . 20 . 2274 . 1 1 2 THR HA H 1.352 -4.474 0.450 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30747_6wpv 1 . 20 . 2275 . 1 1 2 THR HB H -0.132 -3.914 2.369 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30747_6wpv 1 . 20 . 2276 . 1 1 2 THR HG1 H -0.526 -1.766 2.879 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30747_6wpv 1 . 20 . 2277 . 1 1 2 THR HG21 H 2.401 -2.274 2.259 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30747_6wpv 1 . 20 . 2278 . 1 1 2 THR HG22 H 2.277 -3.964 2.750 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30747_6wpv 1 . 20 . 2279 . 1 1 2 THR HG23 H 1.530 -2.701 3.730 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30747_6wpv 1 . 20 . 2280 . 1 1 2 THR N N 1.553 -2.548 -0.221 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30747_6wpv 1 . 20 . 2281 . 1 1 2 THR O O -0.742 -3.151 -1.367 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30747_6wpv 1 . 20 . 2282 . 1 1 2 THR OG1 O -0.241 -1.904 1.966 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30747_6wpv 1 . 20 . 2283 . 1 1 3 VAL C C -3.585 -3.724 -0.173 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c30747_6wpv 1 . 20 . 2284 . 1 1 3 VAL CA C -2.647 -4.898 -0.437 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c30747_6wpv 1 . 20 . 2285 . 1 1 3 VAL CB C -3.296 -6.212 0.082 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c30747_6wpv 1 . 20 . 2286 . 1 1 3 VAL CG1 C -4.652 -6.447 -0.565 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 20 . 2287 . 1 1 3 VAL CG2 C -2.391 -7.394 -0.189 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 20 . 2288 . 1 1 3 VAL H H -1.128 -5.142 1.005 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c30747_6wpv 1 . 20 . 2289 . 1 1 3 VAL HA H -2.483 -4.982 -1.501 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c30747_6wpv 1 . 20 . 2290 . 1 1 3 VAL HB H -3.436 -6.127 1.151 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c30747_6wpv 1 . 20 . 2291 . 1 1 3 VAL HG11 H -5.084 -7.359 -0.184 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 20 . 2292 . 1 1 3 VAL HG12 H -4.528 -6.524 -1.636 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 20 . 2293 . 1 1 3 VAL HG13 H -5.302 -5.615 -0.341 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 20 . 2294 . 1 1 3 VAL HG21 H -1.426 -7.231 0.265 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 20 . 2295 . 1 1 3 VAL HG22 H -2.279 -7.519 -1.255 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 20 . 2296 . 1 1 3 VAL HG23 H -2.837 -8.286 0.226 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 20 . 2297 . 1 1 3 VAL N N -1.367 -4.646 0.191 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c30747_6wpv 1 . 20 . 2298 . 1 1 3 VAL O O -4.275 -3.241 -1.080 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c30747_6wpv 1 . 20 . 2299 . 1 1 4 ALA C C -3.988 -0.833 0.894 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . c30747_6wpv 1 . 20 . 2300 . 1 1 4 ALA CA C -4.458 -2.164 1.458 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . c30747_6wpv 1 . 20 . 2301 . 1 1 4 ALA CB C -4.564 -2.095 2.974 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . c30747_6wpv 1 . 20 . 2302 . 1 1 4 ALA H H -2.969 -3.631 1.722 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . c30747_6wpv 1 . 20 . 2303 . 1 1 4 ALA HA H -5.440 -2.376 1.061 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . c30747_6wpv 1 . 20 . 2304 . 1 1 4 ALA HB1 H -5.272 -1.329 3.252 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . c30747_6wpv 1 . 20 . 2305 . 1 1 4 ALA HB2 H -3.596 -1.859 3.390 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . c30747_6wpv 1 . 20 . 2306 . 1 1 4 ALA HB3 H -4.897 -3.050 3.356 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . c30747_6wpv 1 . 20 . 2307 . 1 1 4 ALA N N -3.581 -3.246 1.057 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . c30747_6wpv 1 . 20 . 2308 . 1 1 4 ALA O O -4.804 0.009 0.489 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . c30747_6wpv 1 . 20 . 2309 . 1 1 5 VAL C C -1.048 0.293 -0.667 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . c30747_6wpv 1 . 20 . 2310 . 1 1 5 VAL CA C -2.115 0.595 0.377 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . c30747_6wpv 1 . 20 . 2311 . 1 1 5 VAL CB C -1.466 1.417 1.535 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . c30747_6wpv 1 . 20 . 2312 . 1 1 5 VAL CG1 C -1.033 2.791 1.065 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . c30747_6wpv 1 . 20 . 2313 . 1 1 5 VAL CG2 C -2.391 1.538 2.729 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . c30747_6wpv 1 . 20 . 2314 . 1 1 5 VAL H H -2.063 -1.349 1.145 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . c30747_6wpv 1 . 20 . 2315 . 1 1 5 VAL HA H -2.902 1.183 -0.072 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . c30747_6wpv 1 . 20 . 2316 . 1 1 5 VAL HB H -0.578 0.887 1.847 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . c30747_6wpv 1 . 20 . 2317 . 1 1 5 VAL HG11 H -1.892 3.336 0.702 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . c30747_6wpv 1 . 20 . 2318 . 1 1 5 VAL HG12 H -0.312 2.682 0.270 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . c30747_6wpv 1 . 20 . 2319 . 1 1 5 VAL HG13 H -0.587 3.327 1.889 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . c30747_6wpv 1 . 20 . 2320 . 1 1 5 VAL HG21 H -1.903 2.121 3.496 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . c30747_6wpv 1 . 20 . 2321 . 1 1 5 VAL HG22 H -2.613 0.552 3.109 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . c30747_6wpv 1 . 20 . 2322 . 1 1 5 VAL HG23 H -3.307 2.025 2.433 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . c30747_6wpv 1 . 20 . 2323 . 1 1 5 VAL N N -2.683 -0.643 0.855 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . c30747_6wpv 1 . 20 . 2324 . 1 1 5 VAL O O 0.057 -0.144 -0.331 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . c30747_6wpv 1 . 20 . 2325 . 1 1 6 GLN C C 0.782 1.204 -2.870 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c30747_6wpv 1 . 20 . 2326 . 1 1 6 GLN CA C -0.436 0.285 -3.015 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c30747_6wpv 1 . 20 . 2327 . 1 1 6 GLN CB C -1.115 0.508 -4.359 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c30747_6wpv 1 . 20 . 2328 . 1 1 6 GLN CD C -0.905 0.440 -6.866 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c30747_6wpv 1 . 20 . 2329 . 1 1 6 GLN CG C -0.241 0.162 -5.544 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c30747_6wpv 1 . 20 . 2330 . 1 1 6 GLN H H -2.263 0.869 -2.123 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c30747_6wpv 1 . 20 . 2331 . 1 1 6 GLN HA H -0.103 -0.740 -2.946 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c30747_6wpv 1 . 20 . 2332 . 1 1 6 GLN HB2 H -2.008 -0.098 -4.406 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c30747_6wpv 1 . 20 . 2333 . 1 1 6 GLN HB3 H -1.392 1.549 -4.435 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c30747_6wpv 1 . 20 . 2334 . 1 1 6 GLN HE21 H 0.853 0.757 -7.683 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c30747_6wpv 1 . 20 . 2335 . 1 1 6 GLN HE22 H -0.508 0.913 -8.736 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c30747_6wpv 1 . 20 . 2336 . 1 1 6 GLN HG2 H 0.662 0.751 -5.486 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c30747_6wpv 1 . 20 . 2337 . 1 1 6 GLN HG3 H 0.013 -0.887 -5.496 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c30747_6wpv 1 . 20 . 2338 . 1 1 6 GLN N N -1.367 0.522 -1.921 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c30747_6wpv 1 . 20 . 2339 . 1 1 6 GLN NE2 N -0.116 0.735 -7.855 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c30747_6wpv 1 . 20 . 2340 . 1 1 6 GLN O O 1.905 0.814 -3.169 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c30747_6wpv 1 . 20 . 2341 . 1 1 6 GLN OE1 O -2.132 0.378 -6.996 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c30747_6wpv 1 . 20 . 2342 . 1 1 7 PHE C C 2.647 2.799 -1.104 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c30747_6wpv 1 . 20 . 2343 . 1 1 7 PHE CA C 1.589 3.386 -2.052 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c30747_6wpv 1 . 20 . 2344 . 1 1 7 PHE CB C 0.936 4.659 -1.444 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c30747_6wpv 1 . 20 . 2345 . 1 1 7 PHE CD1 C 1.732 5.364 0.829 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c30747_6wpv 1 . 20 . 2346 . 1 1 7 PHE CD2 C 2.779 6.343 -1.075 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c30747_6wpv 1 . 20 . 2347 . 1 1 7 PHE CE1 C 2.548 6.082 1.664 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c30747_6wpv 1 . 20 . 2348 . 1 1 7 PHE CE2 C 3.601 7.071 -0.237 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c30747_6wpv 1 . 20 . 2349 . 1 1 7 PHE CG C 1.835 5.481 -0.551 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c30747_6wpv 1 . 20 . 2350 . 1 1 7 PHE CZ C 3.483 6.937 1.136 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c30747_6wpv 1 . 20 . 2351 . 1 1 7 PHE H H -0.400 2.644 -2.204 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c30747_6wpv 1 . 20 . 2352 . 1 1 7 PHE HA H 2.076 3.658 -2.976 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c30747_6wpv 1 . 20 . 2353 . 1 1 7 PHE HB2 H 0.620 5.303 -2.251 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c30747_6wpv 1 . 20 . 2354 . 1 1 7 PHE HB3 H 0.067 4.372 -0.872 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c30747_6wpv 1 . 20 . 2355 . 1 1 7 PHE HD1 H 0.998 4.693 1.247 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c30747_6wpv 1 . 20 . 2356 . 1 1 7 PHE HD2 H 2.869 6.447 -2.146 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c30747_6wpv 1 . 20 . 2357 . 1 1 7 PHE HE1 H 2.451 5.976 2.733 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c30747_6wpv 1 . 20 . 2358 . 1 1 7 PHE HE2 H 4.335 7.742 -0.654 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c30747_6wpv 1 . 20 . 2359 . 1 1 7 PHE HZ H 4.123 7.494 1.803 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c30747_6wpv 1 . 20 . 2360 . 1 1 7 PHE N N 0.540 2.405 -2.362 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c30747_6wpv 1 . 20 . 2361 . 1 1 7 PHE O O 3.849 3.052 -1.242 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c30747_6wpv 1 . 20 . 2362 . 1 1 8 LEU C C 3.588 0.060 0.315 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c30747_6wpv 1 . 20 . 2363 . 1 1 8 LEU CA C 3.071 1.410 0.807 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c30747_6wpv 1 . 20 . 2364 . 1 1 8 LEU CB C 2.301 1.245 2.118 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c30747_6wpv 1 . 20 . 2365 . 1 1 8 LEU CD1 C 4.070 2.022 3.717 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c30747_6wpv 1 . 20 . 2366 . 1 1 8 LEU CD2 C 2.196 0.554 4.510 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c30747_6wpv 1 . 20 . 2367 . 1 1 8 LEU CG C 3.118 0.884 3.353 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c30747_6wpv 1 . 20 . 2368 . 1 1 8 LEU H H 1.249 1.744 -0.181 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c30747_6wpv 1 . 20 . 2369 . 1 1 8 LEU HA H 3.900 2.084 0.965 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c30747_6wpv 1 . 20 . 2370 . 1 1 8 LEU HB2 H 1.780 2.168 2.320 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c30747_6wpv 1 . 20 . 2371 . 1 1 8 LEU HB3 H 1.566 0.469 1.967 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c30747_6wpv 1 . 20 . 2372 . 1 1 8 LEU HD11 H 4.628 1.760 4.604 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c30747_6wpv 1 . 20 . 2373 . 1 1 8 LEU HD12 H 3.506 2.926 3.898 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c30747_6wpv 1 . 20 . 2374 . 1 1 8 LEU HD13 H 4.757 2.199 2.904 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c30747_6wpv 1 . 20 . 2375 . 1 1 8 LEU HD21 H 1.593 1.418 4.746 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c30747_6wpv 1 . 20 . 2376 . 1 1 8 LEU HD22 H 2.780 0.269 5.371 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c30747_6wpv 1 . 20 . 2377 . 1 1 8 LEU HD23 H 1.550 -0.265 4.230 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c30747_6wpv 1 . 20 . 2378 . 1 1 8 LEU HG H 3.716 0.012 3.134 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c30747_6wpv 1 . 20 . 2379 . 1 1 8 LEU N N 2.200 1.985 -0.184 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c30747_6wpv 1 . 20 . 2380 . 1 1 8 LEU O O 4.453 -0.559 0.933 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c30747_6wpv 1 stop_ save_ save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c30747_6wpv _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 6wpv.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30747_6wpv 1 1 6wpv.mr . . XPLOR/CNS 2 'dihedral angle' 'Not applicable' 'Not applicable' 15 c30747_6wpv 1 1 6wpv.mr . . XPLOR/CNS 3 distance 'hydrogen bond' simple 8 c30747_6wpv 1 1 6wpv.mr . . XPLOR/CNS 4 distance NOE simple 73 c30747_6wpv 1 1 6wpv.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30747_6wpv 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c30747_6wpv _Gen_dist_constraint_list.ID 2 _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 4 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 . . . . c30747_6wpv 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 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HG H . . . . . 3.150 1.8 4.50 . . . . . A . 8 LEU H . . A . 8 LEU HG . . . 8 . HN . . . . . 8 . HG . . c30747_6wpv 1 2 1 . . 1 1 5 5 VAL H H . . . 1 1 5 5 VAL HB H . . . . . 2.450 1.8 3.10 . . . . . A . 5 VAL H . . A . 5 VAL HB . . . 5 . HN . . . . . 5 . HB . . c30747_6wpv 1 3 1 . . 1 1 5 5 VAL H H . . . 1 1 5 5 VAL MG1 H . . . . . 3.050 1.8 4.30 . . . . . A . 5 VAL H . . A . 5 VAL MG1 . . . 5 . HN . . . . . 5 . HG1# . . c30747_6wpv 1 4 1 . . 1 1 5 5 VAL H H . . . 1 1 5 5 VAL MG2 H . . . . . 3.050 1.8 4.30 . . . . . A . 5 VAL H . . A . 5 VAL MG2 . . . 5 . HN . . . . . 5 . HG2# . . c30747_6wpv 1 5 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HB H . . . . . 2.545 1.8 3.29 . . . . . A . 3 VAL H . . A . 3 VAL HB . . . 3 . HN . . . . . 3 . HB . . c30747_6wpv 1 6 1 . . 1 1 4 4 ALA H H . . . 1 1 4 4 ALA MB H . . . . . 2.935 1.8 4.07 . . . . . A . 4 ALA H . . A . 4 ALA MB . . . 4 . HN . . . . . 4 . HB# . . c30747_6wpv 1 7 1 . . 1 1 2 2 THR H H . . . 1 1 2 2 THR HB H . . . . . 2.955 1.8 4.11 . . . . . A . 2 THR H . . A . 2 THR HB . . . 2 . HN . . . . . 2 . HB . . c30747_6wpv 1 8 1 . . 1 1 2 2 THR H H . . . 1 1 2 2 THR MG H . . . . . 2.710 1.8 3.62 . . . . . A . 2 THR H . . A . 2 THR MG . . . 2 . HN . . . . . 2 . HG2# . . c30747_6wpv 1 9 1 . . 1 1 3 3 VAL H H . . . 1 1 2 2 THR HB H . . . . . 2.335 1.8 2.87 . . . . . A . 3 VAL H . . A . 2 THR HB . . . 3 . HN . . . . . 2 . HB . . c30747_6wpv 1 10 1 . . 1 1 8 8 LEU H H . . . 1 1 7 7 PHE HB2 H . . . . . 3.360 1.8 4.92 . . . . . A . 8 LEU H . . A . 7 PHE HB2 . . . 8 . HN . . . . . 7 . HB2 . . c30747_6wpv 1 11 1 . . 1 1 8 8 LEU H H . . . 1 1 7 7 PHE HB3 H . . . . . 3.360 1.8 4.92 . . . . . A . 8 LEU H . . A . 7 PHE HB3 . . . 8 . HN . . . . . 7 . HB1 . . c30747_6wpv 1 12 1 . . 1 1 8 8 LEU H H . . . 1 1 5 5 VAL HB H . . . . . 3.080 1.8 4.36 . . . . . A . 8 LEU H . . A . 5 VAL HB . . . 8 . HN . . . . . 5 . HB . . c30747_6wpv 1 13 1 . . 1 1 5 5 VAL H H . . . 1 1 4 4 ALA MB H . . . . . 2.710 1.8 3.62 . . . . . A . 5 VAL H . . A . 4 ALA MB . . . 5 . HN . . . . . 4 . HB# . . c30747_6wpv 1 14 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HG2 H . . . . . 3.650 1.8 5.50 . . . . . A . 6 GLN H . . A . 6 GLN HG2 . . . 6 . HN . . . . . 6 . HG2 . . c30747_6wpv 1 15 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HG3 H . . . . . 3.650 1.8 5.50 . . . . . A . 6 GLN H . . A . 6 GLN HG3 . . . 6 . HN . . . . . 6 . HG1 . . c30747_6wpv 1 16 1 . . 1 1 8 8 LEU H H . . . 1 1 5 5 VAL MG2 H . . . . . 3.650 1.8 5.50 . . . . . A . 8 LEU H . . A . 5 VAL MG2 . . . 8 . HN . . . . . 5 . HG2# . . c30747_6wpv 1 17 1 . . 1 1 4 4 ALA H H . . . 1 1 2 2 THR MG H . . . . . 3.395 1.8 4.99 . . . . . A . 4 ALA H . . A . 2 THR MG . . . 4 . HN . . . . . 2 . HG2# . . c30747_6wpv 1 18 1 . . 1 1 3 3 VAL H H . . . 1 1 2 2 THR MG H . . . . . 2.940 1.8 4.08 . . . . . A . 3 VAL H . . A . 2 THR MG . . . 3 . HN . . . . . 2 . HG2# . . c30747_6wpv 1 19 1 . . 1 1 3 3 VAL H H . . . 1 1 4 4 ALA MB H . . . . . 3.310 1.8 4.82 . . . . . A . 3 VAL H . . A . 4 ALA MB . . . 3 . HN . . . . . 4 . HB# . . c30747_6wpv 1 20 1 . . 1 1 3 3 VAL HB H . . . 1 1 4 4 ALA H H . . . . . 2.615 1.8 3.43 . . . . . A . 3 VAL HB . . A . 4 ALA H . . . 3 . HB . . . . . 4 . HN . . c30747_6wpv 1 21 1 . . 1 1 4 4 ALA H H . . . 1 1 2 2 THR HB H . . . . . 2.695 1.8 3.59 . . . . . A . 4 ALA H . . A . 2 THR HB . . . 4 . HN . . . . . 2 . HB . . c30747_6wpv 1 22 1 . . 1 1 5 5 VAL H H . . . 1 1 2 2 THR HB H . . . . . 3.275 1.8 4.75 . . . . . A . 5 VAL H . . A . 2 THR HB . . . 5 . HN . . . . . 2 . HB . . c30747_6wpv 1 23 1 . . 1 1 5 5 VAL HB H . . . 1 1 2 2 THR H H . . . . . 3.225 1.8 4.65 . . . . . A . 5 VAL HB . . A . 2 THR H . . . 5 . HB . . . . . 2 . HN . . c30747_6wpv 1 24 1 . . 1 1 2 2 THR H H . . . 1 1 8 8 LEU HB3 H . . . . . 3.650 1.8 5.50 . . . . . A . 2 THR H . . A . 8 LEU HB3 . . . 2 . HN . . . . . 8 . HB1 . . c30747_6wpv 1 25 1 . . 1 1 2 2 THR H H . . . 1 1 8 8 LEU HB2 H . . . . . 3.650 1.8 5.50 . . . . . A . 2 THR H . . A . 8 LEU HB2 . . . 2 . HN . . . . . 8 . HB2 . . c30747_6wpv 1 26 1 . . 1 1 5 5 VAL H H . . . 1 1 2 2 THR MG H . . . . . 3.310 1.8 4.82 . . . . . A . 5 VAL H . . A . 2 THR MG . . . 5 . HN . . . . . 2 . HG2# . . c30747_6wpv 1 27 1 OR . 1 1 7 7 PHE QD H . . . 1 1 8 8 LEU MD1 H . . . . . 2.780 1.8 3.76 . . . . . A . 7 PHE QD . . A . 8 LEU MD1 . . . 7 . HD# . . . . . 8 . HD# . . c30747_6wpv 1 27 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 7 7 PHE QD H . . . . . 2.780 1.8 3.76 . . . . . A . 8 LEU MD2 . . A . 7 PHE QD . . . 8 . HD# . . . . . 7 . HD# . . c30747_6wpv 1 28 1 . . 1 1 7 7 PHE QD H . . . 1 1 5 5 VAL MG1 H . . . . . 3.360 1.8 4.92 . . . . . A . 7 PHE QD . . A . 5 VAL MG1 . . . 7 . HD# . . . . . 5 . HG1# . . c30747_6wpv 1 29 1 . . 1 1 7 7 PHE QD H . . . 1 1 5 5 VAL MG2 H . . . . . 3.360 1.8 4.92 . . . . . A . 7 PHE QD . . A . 5 VAL MG2 . . . 7 . HD# . . . . . 5 . HG2# . . c30747_6wpv 1 30 1 OR . 1 1 7 7 PHE HZ H . . . 1 1 8 8 LEU MD1 H . . . . . 3.115 1.8 4.43 . . . . . A . 7 PHE HZ . . A . 8 LEU MD1 . . . 7 . HZ . . . . . 8 . HD# . . c30747_6wpv 1 30 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 7 7 PHE HZ H . . . . . 3.115 1.8 4.43 . . . . . A . 8 LEU MD2 . . A . 7 PHE HZ . . . 8 . HD# . . . . . 7 . HZ . . c30747_6wpv 1 31 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . 3.210 1.8 4.62 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 . HN . . . . . 8 . HD# . . c30747_6wpv 1 31 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . 3.210 1.8 4.62 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 . HN . . . . . 8 . HD# . . c30747_6wpv 1 32 1 . . 1 1 8 8 LEU H H . . . 1 1 5 5 VAL MG1 H . . . . . 3.650 1.8 5.50 . . . . . A . 8 LEU H . . A . 5 VAL MG1 . . . 8 . HN . . . . . 5 . HG1# . . c30747_6wpv 1 33 1 OR . 1 1 7 7 PHE QE H . . . 1 1 8 8 LEU MD1 H . . . . . 2.610 1.8 3.42 . . . . . A . 7 PHE QE . . A . 8 LEU MD1 . . . 7 . HE# . . . . . 8 . HD# . . c30747_6wpv 1 33 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 7 7 PHE QE H . . . . . 2.610 1.8 3.42 . . . . . A . 8 LEU MD2 . . A . 7 PHE QE . . . 8 . HD# . . . . . 7 . HE# . . c30747_6wpv 1 34 1 . . 1 1 7 7 PHE QE H . . . 1 1 5 5 VAL MG2 H . . . . . 3.575 1.8 5.35 . . . . . A . 7 PHE QE . . A . 5 VAL MG2 . . . 7 . HE# . . . . . 5 . HG2# . . c30747_6wpv 1 35 1 . . 1 1 7 7 PHE HA H . . . 1 1 7 7 PHE QD H . . . . . 3.650 1.8 5.50 . . . . . A . 7 PHE HA . . A . 7 PHE QD . . . 7 . HA . . . . . 7 . HD# . . c30747_6wpv 1 36 1 OR . 1 1 2 2 THR H H . . . 1 1 8 8 LEU MD1 H . . . . . 3.385 1.8 4.97 . . . . . A . 2 THR H . . A . 8 LEU MD1 . . . 2 . HN . . . . . 8 . HD# . . c30747_6wpv 1 36 2 OR . 1 1 2 2 THR H H . . . 1 1 8 8 LEU MD2 H . . . . . 3.385 1.8 4.97 . . . . . A . 2 THR H . . A . 8 LEU MD2 . . . 2 . HN . . . . . 8 . HD# . . c30747_6wpv 1 37 1 . . 1 1 7 7 PHE QE H . . . 1 1 5 5 VAL MG1 H . . . . . 3.575 1.8 5.35 . . . . . A . 7 PHE QE . . A . 5 VAL MG1 . . . 7 . HE# . . . . . 5 . HG1# . . c30747_6wpv 1 38 1 . . 1 1 2 2 THR MG H . . . 1 1 2 2 THR HA H . . . . . 2.745 1.8 3.69 . . . . . A . 2 THR MG . . A . 2 THR HA . . . 2 . HG2# . . . . . 2 . HA . . c30747_6wpv 1 39 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG1 H . . . . . 2.755 1.8 3.71 . . . . . A . 3 VAL HA . . A . 3 VAL MG1 . . . 3 . HA . . . . . 3 . HG1# . . c30747_6wpv 1 40 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG2 H . . . . . 2.755 1.8 3.71 . . . . . A . 3 VAL HA . . A . 3 VAL MG2 . . . 3 . HA . . . . . 3 . HG2# . . c30747_6wpv 1 41 1 . . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL MG1 H . . . . . 2.725 1.8 3.65 . . . . . A . 5 VAL HA . . A . 5 VAL MG1 . . . 5 . HA . . . . . 5 . HG1# . . c30747_6wpv 1 42 1 . . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL MG2 H . . . . . 2.725 1.8 3.65 . . . . . A . 5 VAL HA . . A . 5 VAL MG2 . . . 5 . HA . . . . . 5 . HG2# . . c30747_6wpv 1 43 1 . . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU HA H . . . . . 2.985 1.8 4.17 . . . . . A . 8 LEU HG . . A . 8 LEU HA . . . 8 . HG . . . . . 8 . HA . . c30747_6wpv 1 44 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD1 H . . . . . 2.385 1.8 2.97 . . . . . A . 8 LEU HA . . A . 8 LEU MD1 . . . 8 . HA . . . . . 8 . HD# . . c30747_6wpv 1 44 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 8 8 LEU HA H . . . . . 2.385 1.8 2.97 . . . . . A . 8 LEU MD2 . . A . 8 LEU HA . . . 8 . HD# . . . . . 8 . HA . . c30747_6wpv 1 45 1 . . 1 1 5 5 VAL H H . . . 1 1 4 4 ALA H H . . . . . 2.495 1.8 3.19 . . . . . A . 5 VAL H . . A . 4 ALA H . . . 5 . HN . . . . . 4 . HN . . c30747_6wpv 1 46 1 . . 1 1 3 3 VAL H H . . . 1 1 4 4 ALA H H . . . . . 2.840 1.8 3.88 . . . . . A . 3 VAL H . . A . 4 ALA H . . . 3 . HN . . . . . 4 . HN . . c30747_6wpv 1 47 1 . . 1 1 4 4 ALA H H . . . 1 1 2 2 THR HG1 H . . . . . 2.530 1.8 3.26 . . . . . A . 4 ALA H . . A . 2 THR HG1 . . . 4 . HN . . . . . 2 . HG1 . . c30747_6wpv 1 48 1 . . 1 1 3 3 VAL H H . . . 1 1 2 2 THR HG1 H . . . . . 3.225 1.8 4.65 . . . . . A . 3 VAL H . . A . 2 THR HG1 . . . 3 . HN . . . . . 2 . HG1 . . c30747_6wpv 1 49 1 OR . 1 1 2 2 THR H H . . . 1 1 5 5 VAL MG1 H . . . . . 3.620 1.8 5.44 . . . . . A . 2 THR H . . A . 5 VAL MG1 . . . 2 . HN . . . . . 5 . HG* . . c30747_6wpv 1 49 2 OR . 1 1 2 2 THR H H . . . 1 1 5 5 VAL MG2 H . . . . . 3.620 1.8 5.44 . . . . . A . 2 THR H . . A . 5 VAL MG2 . . . 2 . HN . . . . . 5 . HG* . . c30747_6wpv 1 50 1 OR . 1 1 2 2 THR H H . . . 1 1 8 8 LEU HB3 H . . . . . 3.315 1.8 4.83 . . . . . A . 2 THR H . . A . 8 LEU HB3 . . . 2 . HN . . . . . 8 . HB# . . c30747_6wpv 1 50 2 OR . 1 1 2 2 THR H H . . . 1 1 8 8 LEU HB2 H . . . . . 3.315 1.8 4.83 . . . . . A . 2 THR H . . A . 8 LEU HB2 . . . 2 . HN . . . . . 8 . HB# . . c30747_6wpv 1 51 1 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG1 H . . . . . 2.835 1.8 3.87 . . . . . A . 3 VAL H . . A . 3 VAL MG1 . . . 3 . HN . . . . . 3 . HG* . . c30747_6wpv 1 51 2 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG2 H . . . . . 2.835 1.8 3.87 . . . . . A . 3 VAL H . . A . 3 VAL MG2 . . . 3 . HN . . . . . 3 . HG* . . c30747_6wpv 1 52 1 OR . 1 1 4 4 ALA H H . . . 1 1 3 3 VAL MG1 H . . . . . 3.145 1.8 4.49 . . . . . A . 4 ALA H . . A . 3 VAL MG1 . . . 4 . HN . . . . . 3 . HG* . . c30747_6wpv 1 52 2 OR . 1 1 4 4 ALA H H . . . 1 1 3 3 VAL MG2 H . . . . . 3.145 1.8 4.49 . . . . . A . 4 ALA H . . A . 3 VAL MG2 . . . 4 . HN . . . . . 3 . HG* . . c30747_6wpv 1 53 1 OR . 1 1 4 4 ALA H H . . . 1 1 5 5 VAL MG1 H . . . . . 3.330 1.8 4.86 . . . . . A . 4 ALA H . . A . 5 VAL MG1 . . . 4 . HN . . . . . 5 . HG* . . c30747_6wpv 1 53 2 OR . 1 1 4 4 ALA H H . . . 1 1 5 5 VAL MG2 H . . . . . 3.330 1.8 4.86 . . . . . A . 4 ALA H . . A . 5 VAL MG2 . . . 4 . HN . . . . . 5 . HG* . . c30747_6wpv 1 54 1 OR . 1 1 5 5 VAL H H . . . 1 1 5 5 VAL MG1 H . . . . . 2.685 1.8 3.57 . . . . . A . 5 VAL H . . A . 5 VAL MG1 . . . 5 . HN . . . . . 5 . HG* . . c30747_6wpv 1 54 2 OR . 1 1 5 5 VAL H H . . . 1 1 5 5 VAL MG2 H . . . . . 2.685 1.8 3.57 . . . . . A . 5 VAL H . . A . 5 VAL MG2 . . . 5 . HN . . . . . 5 . HG* . . c30747_6wpv 1 55 1 OR . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL MG1 H . . . . . 2.320 1.8 2.84 . . . . . A . 5 VAL HA . . A . 5 VAL MG1 . . . 5 . HA . . . . . 5 . HG* . . c30747_6wpv 1 55 2 OR . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL MG2 H . . . . . 2.320 1.8 2.84 . . . . . A . 5 VAL HA . . A . 5 VAL MG2 . . . 5 . HA . . . . . 5 . HG* . . c30747_6wpv 1 56 1 OR . 1 1 7 7 PHE QD H . . . 1 1 5 5 VAL MG1 H . . . . . 2.870 1.8 3.94 . . . . . A . 7 PHE QD . . A . 5 VAL MG1 . . . 7 . HD# . . . . . 5 . HG* . . c30747_6wpv 1 56 2 OR . 1 1 7 7 PHE QD H . . . 1 1 5 5 VAL MG2 H . . . . . 2.870 1.8 3.94 . . . . . A . 7 PHE QD . . A . 5 VAL MG2 . . . 7 . HD# . . . . . 5 . HG* . . c30747_6wpv 1 57 1 OR . 1 1 7 7 PHE QE H . . . 1 1 5 5 VAL MG1 H . . . . . 2.905 1.8 4.01 . . . . . A . 7 PHE QE . . A . 5 VAL MG1 . . . 7 . HE# . . . . . 5 . HG* . . c30747_6wpv 1 57 2 OR . 1 1 7 7 PHE QE H . . . 1 1 5 5 VAL MG2 H . . . . . 2.905 1.8 4.01 . . . . . A . 7 PHE QE . . A . 5 VAL MG2 . . . 7 . HE# . . . . . 5 . HG* . . c30747_6wpv 1 58 1 OR . 1 1 7 7 PHE HZ H . . . 1 1 5 5 VAL MG1 H . . . . . 3.620 1.8 5.44 . . . . . A . 7 PHE HZ . . A . 5 VAL MG1 . . . 7 . HZ . . . . . 5 . HG* . . c30747_6wpv 1 58 2 OR . 1 1 7 7 PHE HZ H . . . 1 1 5 5 VAL MG2 H . . . . . 3.620 1.8 5.44 . . . . . A . 7 PHE HZ . . A . 5 VAL MG2 . . . 7 . HZ . . . . . 5 . HG* . . c30747_6wpv 1 59 1 OR . 1 1 8 8 LEU H H . . . 1 1 5 5 VAL MG1 H . . . . . 2.940 1.8 4.08 . . . . . A . 8 LEU H . . A . 5 VAL MG1 . . . 8 . HN . . . . . 5 . HG* . . c30747_6wpv 1 59 2 OR . 1 1 8 8 LEU H H . . . 1 1 5 5 VAL MG2 H . . . . . 2.940 1.8 4.08 . . . . . A . 8 LEU H . . A . 5 VAL MG2 . . . 8 . HN . . . . . 5 . HG* . . c30747_6wpv 1 60 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PHE HB3 H . . . . . 2.985 1.8 4.17 . . . . . A . 8 LEU H . . A . 7 PHE HB3 . . . 8 . HN . . . . . 7 . HB# . . c30747_6wpv 1 60 2 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PHE HB2 H . . . . . 2.985 1.8 4.17 . . . . . A . 8 LEU H . . A . 7 PHE HB2 . . . 8 . HN . . . . . 7 . HB# . . c30747_6wpv 1 61 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . 2.515 1.8 3.23 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 . HN . . . . . 8 . HB# . . c30747_6wpv 1 61 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . 2.515 1.8 3.23 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 . HN . . . . . 8 . HB# . . c30747_6wpv 1 62 1 OR . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU HB3 H . . . . . 2.125 1.8 2.45 . . . . . A . 8 LEU HG . . A . 8 LEU HB3 . . . 8 . HG . . . . . 8 . HB# . . c30747_6wpv 1 62 2 OR . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU HB2 H . . . . . 2.125 1.8 2.45 . . . . . A . 8 LEU HG . . A . 8 LEU HB2 . . . 8 . HG . . . . . 8 . HB# . . c30747_6wpv 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 'Inter-proton Distance Restraints from CYANA 3.98.5' 1 1 1 52 c30747_6wpv 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 4 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 2 4 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 3 4 22 1 "Not handling restraint 22, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 4 4 22 1 "Not handling restraint 22, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 5 4 23 1 "Not handling restraint 23, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 6 4 26 1 "Not handling restraint 26, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 7 4 31 1 "Not handling restraint 31, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 8 4 32 1 "Not handling restraint 32, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 9 4 33 1 "Not handling restraint 33, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 10 4 53 1 "Not handling restraint 53, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 11 4 54 1 "Not handling restraint 54, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 12 4 59 1 "Not handling restraint 59, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 13 4 59 1 "Not handling restraint 59, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c30747_6wpv _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 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 . . . . c30747_6wpv 2 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 . . 1 1 6 6 GLN O O . . . 1 1 1 1 GLY N N . . . . . 0.0 0.0 3.3 . . . . . A . 6 GLN O . . A . 1 GLY N . . . 6 . O . . . . . 1 . N . . c30747_6wpv 2 2 1 . . 1 1 2 2 THR H H . . . 1 1 5 5 VAL O O . . . . . 0.0 0.0 2.3 . . . . . A . 2 THR H . . A . 5 VAL O . . . 2 . HN . . . . . 5 . O . . c30747_6wpv 2 3 1 . . 1 1 5 5 VAL O O . . . 1 1 2 2 THR N N . . . . . 0.0 0.0 3.3 . . . . . A . 5 VAL O . . A . 2 THR N . . . 5 . O . . . . . 2 . N . . c30747_6wpv 2 4 1 . . 1 1 5 5 VAL H H . . . 1 1 2 2 THR OG1 O . . . . . 0.0 0.0 2.3 . . . . . A . 5 VAL H . . A . 2 THR OG1 . . . 5 . HN . . . . . 2 . OG1 . . c30747_6wpv 2 5 1 . . 1 1 2 2 THR OG1 O . . . 1 1 5 5 VAL N N . . . . . 0.0 0.0 3.3 . . . . . A . 2 THR OG1 . . A . 5 VAL N . . . 2 . OG1 . . . . . 5 . N . . c30747_6wpv 2 6 1 . . 1 1 8 8 LEU H H . . . 1 1 5 5 VAL O O . . . . . 0.0 0.0 2.3 . . . . . A . 8 LEU H . . A . 5 VAL O . . . 8 . HN . . . . . 5 . O . . c30747_6wpv 2 7 1 . . 1 1 5 5 VAL O O . . . 1 1 8 8 LEU N N . . . . . 0.0 0.0 3.3 . . . . . A . 5 VAL O . . A . 8 LEU N . . . 5 . O . . . . . 8 . N . . c30747_6wpv 2 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 'H-Bonds from Temperature Coefficients and Priliminary Calculations' 1 1 1 68 c30747_6wpv 2 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 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30747_6wpv 2 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c30747_6wpv _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 2 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 . . . . c30747_6wpv 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 8 8 LEU C C . . 1 1 1 1 GLY N N . . 1 1 1 1 GLY CA C . . 1 1 1 1 GLY C C . 36.0 124.8 . . . A . 8 LEU C . . A . 1 GLY N . . A . 1 GLY CA . . A . 1 GLY C . . . 8 . C . . . . . 1 . N . . . . . 1 . CA . . . . . 1 . C . . c30747_6wpv 1 2 . . 1 1 1 1 GLY N N . . 1 1 1 1 GLY CA C . . 1 1 1 1 GLY C C . . 1 1 2 2 THR N N . -53.7 73.3 . . . A . 1 GLY N . . A . 1 GLY CA . . A . 1 GLY C . . A . 2 THR N . . . 1 . N . . . . . 1 . CA . . . . . 1 . C . . . . . 2 . N . . c30747_6wpv 1 3 . . 1 1 1 1 GLY C C . . 1 1 2 2 THR N N . . 1 1 2 2 THR CA C . . 1 1 2 2 THR C C . -165.7 -97.1 . . . A . 1 GLY C . . A . 2 THR N . . A . 2 THR CA . . A . 2 THR C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . c30747_6wpv 1 4 . . 1 1 2 2 THR N N . . 1 1 2 2 THR CA C . . 1 1 2 2 THR C C . . 1 1 3 3 VAL N N . 125.6 188.4 . . . A . 2 THR N . . A . 2 THR CA . . A . 2 THR C . . A . 3 VAL N . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . . . . 3 . N . . c30747_6wpv 1 5 . . 1 1 2 2 THR C C . . 1 1 3 3 VAL N N . . 1 1 3 3 VAL CA C . . 1 1 3 3 VAL C C . -85.6 -45.6 . . . A . 2 THR C . . A . 3 VAL N . . A . 3 VAL CA . . A . 3 VAL C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . c30747_6wpv 1 6 . . 1 1 3 3 VAL N N . . 1 1 3 3 VAL CA C . . 1 1 3 3 VAL C C . . 1 1 4 4 ALA N N . -46.3 -6.3 . . . A . 3 VAL N . . A . 3 VAL CA . . A . 3 VAL C . . A . 4 ALA N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . c30747_6wpv 1 7 . . 1 1 3 3 VAL C C . . 1 1 4 4 ALA N N . . 1 1 4 4 ALA CA C . . 1 1 4 4 ALA C C . -94.4 -54.4 . . . A . 3 VAL C . . A . 4 ALA N . . A . 4 ALA CA . . A . 4 ALA C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . c30747_6wpv 1 8 . . 1 1 4 4 ALA N N . . 1 1 4 4 ALA CA C . . 1 1 4 4 ALA C C . . 1 1 5 5 VAL N N . -39.4 0.6 . . . A . 4 ALA N . . A . 4 ALA CA . . A . 4 ALA C . . A . 5 VAL N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . c30747_6wpv 1 9 . . 1 1 5 5 VAL C C . . 1 1 6 6 GLN N N . . 1 1 6 6 GLN CA C . . 1 1 6 6 GLN C C . -83.2 -43.2 . . . A . 5 VAL C . . A . 6 GLN N . . A . 6 GLN CA . . A . 6 GLN C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . c30747_6wpv 1 10 . . 1 1 6 6 GLN N N . . 1 1 6 6 GLN CA C . . 1 1 6 6 GLN C C . . 1 1 7 7 PHE N N . -50.5 -10.5 . . . A . 6 GLN N . . A . 6 GLN CA . . A . 6 GLN C . . A . 7 PHE N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . c30747_6wpv 1 11 . . 1 1 6 6 GLN C C . . 1 1 7 7 PHE N N . . 1 1 7 7 PHE CA C . . 1 1 7 7 PHE C C . -83.7 -43.7 . . . A . 6 GLN C . . A . 7 PHE N . . A . 7 PHE CA . . A . 7 PHE C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c30747_6wpv 1 12 . . 1 1 7 7 PHE N N . . 1 1 7 7 PHE CA C . . 1 1 7 7 PHE C C . . 1 1 8 8 LEU N N . -43.3 -3.3 . . . A . 7 PHE N . . A . 7 PHE CA . . A . 7 PHE C . . A . 8 LEU N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . c30747_6wpv 1 13 . . 1 1 7 7 PHE C C . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . -134.8 -56.2 . . . A . 7 PHE C . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . c30747_6wpv 1 14 . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . . 1 1 1 1 GLY N N . -43.1 40.9 . . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU C . . A . 1 GLY N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 1 . N . . c30747_6wpv 1 15 . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU CB C . . 1 1 8 8 LEU CG C . 120.0 240.0 . . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU CB . . A . 8 LEU CG . . . 8 . N . . . . . 8 . CA . . . . . 8 . CB . . . . . 8 . CG . . c30747_6wpv 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 'Dihedral angles from TALOS-N' 2 1 2 30 c30747_6wpv 1 2 'CHI1 angle from COSY' 19 1 19 22 c30747_6wpv 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 1: Xanthoxycyclin_D_Restraints.tbl' 1 1 1 52 c30747_6wpv 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 c30747_6wpv _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER PLANT PROTEIN 28-APR-20 6WPV *TITLE SOLUTION NMR STRUCTURE OF THE ORBITIDE XANTHOXYCYCLIN D *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: XANTHOXYCYCLIN D; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: MELICOPE XANTHOXYLOIDES; *SOURCE 4 ORGANISM_TAXID: 1312821 *KEYWDS ORBITIDE, CYCLIC PLANT PEPTIDE, PLANT PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR K.J.ROSENGREN,C.D.PAYNE *REVDAT 1 26-AUG-20 6WPV 0' save_