data_c30344_6azg ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30344_6azg _Entry.Title ; PawL-Derived Peptide PLP-10 (cis conformer) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-11 _Entry.Accession_date 2017-09-11 _Entry.Last_release_date 2017-10-05 _Entry.Original_release_date 2017-10-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 M. Fisher M. . . . c30344_6azg 2 J. Mylne J. S. . . c30344_6azg 3 M. Howard M. J. . . c30344_6azg stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . c30344_6azg 'buried peptide' . c30344_6azg 'cyclic peptide' . c30344_6azg orbitide . c30344_6azg 'plant peptide' . c30344_6azg stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30344_6azg spectral_peak_list 3 c30344_6azg stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 15 c30344_6azg '1H chemical shifts' 30 c30344_6azg 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 . . 2018-03-01 . original BMRB . c30344_6azg stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30337 'PawL-Derived Peptide PLP-12' c30344_6azg PDB 6AZG 'BMRB Entry Tracking System' c30344_6azg stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30344_6azg _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A family of small, homodetic cyclopeptides buried in preproalbumin since the Eocene epoch ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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. . . . c30344_6azg 1 2 J. Mylne J. S. . . c30344_6azg 1 3 M. Howard M. J. . . c30344_6azg 1 4 B. Behsaz B. . . . c30344_6azg 1 5 P. Pervsner P. A. . . c30344_6azg 1 6 N. Taylor N. J. . . c30344_6azg 1 7 O. Berkowitz O. . . . c30344_6azg 1 8 J. Whelan J. . . . c30344_6azg 1 9 J. Zhang J. . . . c30344_6azg 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30344_6azg _Assembly.ID 1 _Assembly.Name ASP-LEU-PHE-VAL-PRO-PRO-ILE-ASP _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 'not present' _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 entity_1 1 $entity_1 A A yes . . . . . . c30344_6azg 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30344_6azg _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GLY-SER-PRO-LEU-PHE-ASP _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 ; GSPLFD ; _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 6 _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 634.679 _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 1 GLY . c30344_6azg 1 2 2 SER . c30344_6azg 1 3 3 PRO . c30344_6azg 1 4 4 LEU . c30344_6azg 1 5 5 PHE . c30344_6azg 1 6 6 ASP . c30344_6azg 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 c30344_6azg 1 . SER 2 2 c30344_6azg 1 . PRO 3 3 c30344_6azg 1 . LEU 4 4 c30344_6azg 1 . PHE 5 5 c30344_6azg 1 . ASP 6 6 c30344_6azg 1 stop_ save_ #################### # Natural source # #################### 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 c30344_6azg _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 . 34245 organism . 'Zinnia violacea' 'Zinnia violacea' . . Eukaryota Viridiplantae Zinnia Violacea . . . . . . . . . . . . . c30344_6azg 1 stop_ save_ ######################### # Experimental source # ######################### 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 c30344_6azg _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' . . . . . . . . . . . . . . . . c30344_6azg 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30344_6azg _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mg/mL PLP-10, 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 PLP-10 'natural abundance' . . 1 $entity_1 . . 1.0 . . mg/mL 0.2 . . . c30344_6azg 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c30344_6azg _Sample_condition_list.ID 1 _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 pH 4.5 0.5 pH c30344_6azg 1 pressure 1 . atm c30344_6azg 1 temperature 298 . K c30344_6azg 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30344_6azg _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . c30344_6azg 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c30344_6azg 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30344_6azg _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c30344_6azg 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c30344_6azg 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30344_6azg _Software.ID 3 _Software.Type . _Software.Name YASARA _Software.Version 16.7.22 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Elmar Krieger' . . c30344_6azg 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30344_6azg 3 'structure calculation' c30344_6azg 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30344_6azg _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 c30344_6azg _NMR_spectrometer_list.ID 1 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 AvanceIII . 600 . . . c30344_6azg 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c30344_6azg _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30344_6azg 1 2 '2D 1H-1H TOCSY 80' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30344_6azg 1 3 '2D 1H-1H TOCSY 20' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30344_6azg 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30344_6azg 1 5 '2D 1H-1H ROESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30344_6azg 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ 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 c30344_6azg _Chem_shift_reference.ID 1 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . c30344_6azg 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30344_6azg 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### 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 c30344_6azg _Assigned_chem_shift_list.ID 1 _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-13C HSQC' . . . c30344_6azg 1 2 '2D 1H-1H TOCSY 80' . . . c30344_6azg 1 3 '2D 1H-1H TOCSY 20' . . . c30344_6azg 1 4 '2D DQF-COSY' . . . c30344_6azg 1 5 '2D 1H-1H ROESY' . . . c30344_6azg 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 HA2 H 1 3.620 0.002 . 2 . . 49 . A 1 GLY HA2 . c30344_6azg 1 2 . 1 1 1 1 GLY HA3 H 1 3.798 0.001 . 2 . . 50 . A 1 GLY HA3 . c30344_6azg 1 3 . 1 1 1 1 GLY H H 1 7.472 0.001 . 1 . . 48 . A 1 GLY H . c30344_6azg 1 4 . 1 1 1 1 GLY CA C 13 46.217 0.013 . 1 . . 73 . A 1 GLY CA . c30344_6azg 1 5 . 1 1 2 2 SER H H 1 8.171 0.001 . 1 . . 51 . A 2 SER H . c30344_6azg 1 6 . 1 1 2 2 SER HA H 1 4.523 0.001 . 1 . . 52 . A 2 SER HA . c30344_6azg 1 7 . 1 1 2 2 SER HB2 H 1 3.749 0.001 . 1 . . 53 . A 2 SER HB2 . c30344_6azg 1 8 . 1 1 2 2 SER CA C 13 57.091 . . 1 . . 68 . A 2 SER CA . c30344_6azg 1 9 . 1 1 2 2 SER CB C 13 63.921 . . 1 . . 75 . A 2 SER CB . c30344_6azg 1 10 . 1 1 3 3 PRO HA H 1 4.582 0.001 . 1 . . 59 . A 3 PRO HA . c30344_6azg 1 11 . 1 1 3 3 PRO HB2 H 1 2.149 0.004 . 2 . . 58 . A 3 PRO HB2 . c30344_6azg 1 12 . 1 1 3 3 PRO HB3 H 1 2.183 . . 2 . . 60 . A 3 PRO HB3 . c30344_6azg 1 13 . 1 1 3 3 PRO HG2 H 1 1.949 0.002 . 2 . . 39 . A 3 PRO HG2 . c30344_6azg 1 14 . 1 1 3 3 PRO HG3 H 1 1.656 0.005 . 2 . . 57 . A 3 PRO HG3 . c30344_6azg 1 15 . 1 1 3 3 PRO HD2 H 1 3.486 0.004 . 2 . . 38 . A 3 PRO HD2 . c30344_6azg 1 16 . 1 1 3 3 PRO HD3 H 1 3.567 0.003 . 2 . . 40 . A 3 PRO HD3 . c30344_6azg 1 17 . 1 1 3 3 PRO CA C 13 63.999 . . 1 . . 67 . A 3 PRO CA . c30344_6azg 1 18 . 1 1 3 3 PRO CB C 13 33.876 . . 1 . . 78 . A 3 PRO CB . c30344_6azg 1 19 . 1 1 3 3 PRO CG C 13 24.245 . . 1 . . 81 . A 3 PRO CG . c30344_6azg 1 20 . 1 1 3 3 PRO CD C 13 50.284 . . 1 . . 83 . A 3 PRO CD . c30344_6azg 1 21 . 1 1 4 4 LEU H H 1 8.139 0.001 . 1 . . 32 . A 4 LEU H . c30344_6azg 1 22 . 1 1 4 4 LEU HA H 1 4.484 0.004 . 1 . . 33 . A 4 LEU HA . c30344_6azg 1 23 . 1 1 4 4 LEU HB2 H 1 1.638 0.001 . 1 . . 45 . A 4 LEU HB2 . c30344_6azg 1 24 . 1 1 4 4 LEU HG H 1 1.449 0.001 . 1 . . 46 . A 4 LEU HG . c30344_6azg 1 25 . 1 1 4 4 LEU HD11 H 1 0.803 0.0 . 1 . . 47 . A 4 LEU HD11 . c30344_6azg 1 26 . 1 1 4 4 LEU HD12 H 1 0.803 0.0 . 1 . . 47 . A 4 LEU HD12 . c30344_6azg 1 27 . 1 1 4 4 LEU HD13 H 1 0.803 0.0 . 1 . . 47 . A 4 LEU HD13 . c30344_6azg 1 28 . 1 1 4 4 LEU CA C 13 54.771 . . 1 . . 69 . A 4 LEU CA . c30344_6azg 1 29 . 1 1 4 4 LEU CB C 13 42.670 . . 1 . . 76 . A 4 LEU CB . c30344_6azg 1 30 . 1 1 4 4 LEU CG C 13 27.304 . . 1 . . 80 . A 4 LEU CG . c30344_6azg 1 31 . 1 1 4 4 LEU CD1 C 13 24.908 . . 1 . . 82 . A 4 LEU CD1 . c30344_6azg 1 32 . 1 1 5 5 PHE H H 1 8.467 0.001 . 1 . . 34 . A 5 PHE H . c30344_6azg 1 33 . 1 1 5 5 PHE HA H 1 4.267 0.003 . 1 . . 35 . A 5 PHE HA . c30344_6azg 1 34 . 1 1 5 5 PHE HB2 H 1 3.069 0.001 . 2 . . 36 . A 5 PHE HB2 . c30344_6azg 1 35 . 1 1 5 5 PHE HB3 H 1 2.967 0.004 . 2 . . 37 . A 5 PHE HB3 . c30344_6azg 1 36 . 1 1 5 5 PHE HD1 H 1 7.181 0.005 . 1 . . 54 . A 5 PHE HD1 . c30344_6azg 1 37 . 1 1 5 5 PHE HD2 H 1 7.181 0.005 . 1 . . 54 . A 5 PHE HD2 . c30344_6azg 1 38 . 1 1 5 5 PHE CA C 13 59.546 . . 1 . . 71 . A 5 PHE CA . c30344_6azg 1 39 . 1 1 5 5 PHE CB C 13 40.447 0.027 . 1 . . 74 . A 5 PHE CB . c30344_6azg 1 40 . 1 1 6 6 ASP H H 1 8.299 0.001 . 1 . . 41 . A 6 ASP H . c30344_6azg 1 41 . 1 1 6 6 ASP HA H 1 4.355 0.001 . 1 . . 42 . A 6 ASP HA . c30344_6azg 1 42 . 1 1 6 6 ASP HB2 H 1 2.644 0.0 . 2 . . 43 . A 6 ASP HB2 . c30344_6azg 1 43 . 1 1 6 6 ASP HB3 H 1 2.697 0.0 . 2 . . 44 . A 6 ASP HB3 . c30344_6azg 1 44 . 1 1 6 6 ASP CA C 13 52.941 . . 1 . . 70 . A 6 ASP CA . c30344_6azg 1 45 . 1 1 6 6 ASP CB C 13 37.059 . . 1 . . 77 . A 6 ASP CB . c30344_6azg 1 stop_ save_ ######################### # Spectral peak lists # ######################### 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 c30344_6azg _Spectral_peak_list.ID 1 _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.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H # INAME 2 C # CYANAFORMAT HC 1 4.584 63.999 1 T 2.199e+05 0.00e+00 a 0 HA.3 CA.3 2 4.523 57.091 1 T 3.536e+05 0.00e+00 a 0 HA.2 CA.2 3 4.486 54.771 1 T 2.279e+05 0.00e+00 a 0 HA.4 CA.4 4 4.356 52.941 1 T 5.189e+05 0.00e+00 a 0 HA.6 CA.6 5 4.271 59.546 1 T 5.572e+05 0.00e+00 a 0 HA.5 CA.5 6 3.799 50.448 1 T 9.588e+05 0.00e+00 a 0 HA3.1 - 7 3.799 46.230 1 T 2.813e+05 0.00e+00 a 0 HA3.1 CA.1 8 3.621 46.204 1 T 3.684e+05 0.00e+00 a 0 HA2.1 CA.1 9 3.069 40.473 1 T 6.070e+05 0.00e+00 a 0 HB2.5 CB.5 10 2.960 40.420 1 T 2.778e+05 0.00e+00 a 0 HB3.5 CB.5 11 3.748 63.921 1 T 1.417e+06 0.00e+00 a 0 HB2.2 CB.2 12 1.638 42.670 1 T 2.807e+05 0.00e+00 a 0 HB2.4 CB.4 13 2.697 37.059 1 T 3.922e+05 0.00e+00 a 0 HB3.6 CB.6 14 2.644 37.059 1 T 3.791e+05 0.00e+00 a 0 HB2.6 CB.6 15 2.156 33.876 1 T 6.782e+05 0.00e+00 a 0 HB2.3 CB.3 16 1.450 42.866 1 T 5.538e+05 0.00e+00 a 0 HG.4 - 17 1.450 27.304 1 T 1.768e+05 0.00e+00 a 0 HG.4 CG.4 18 1.949 24.245 1 T 2.572e+05 0.00e+00 a 0 HG2.3 CG.3 19 0.803 24.908 1 T 2.529e+06 0.00e+00 a 0 QD1.4 CD1.4 20 3.566 50.284 1 T 4.485e+05 0.00e+00 a 0 HD3.3 CD.3 21 3.484 50.284 1 T 2.621e+05 0.00e+00 a 0 HD2.3 CD.3 ; 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 . . 12 ppm . . . 4.7 . . c30344_6azg 1 2 . . C 13 C . . 160 ppm . . . 10 . . c30344_6azg 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID c30344_6azg _Spectral_peak_list.ID 2 _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.Experiment_ID 5 _Spectral_peak_list.Experiment_name '2D 1H-1H ROESY' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H # INAME 2 H # CYANAFORMAT HH 1 8.468 4.486 1 T -2.630e+05 0.00e+00 a 0 H.5 HA.4 2 8.139 3.566 1 T -9.597e+04 0.00e+00 a 0 H.4 HD3.3 3 8.299 4.266 1 T -2.433e+05 0.00e+00 a 0 H.6 HA.5 4 7.473 4.356 1 T -1.597e+05 0.00e+00 a 0 H.1 HA.6 5 8.170 3.621 1 T -3.661e+05 0.00e+00 a 0 H.2 HA2.1 6 7.180 4.266 1 T -3.084e+05 0.00e+00 a 0 QD.5 HA.5 8 8.466 4.263 1 T -2.010e+05 0.00e+00 a 0 H.5 HA.5 13 8.468 7.343 1 T 8.380e+04 0.00e+00 a 0 - - 14 8.468 7.190 1 T -1.160e+05 0.00e+00 a 0 - - 15 8.468 8.140 1 T -1.416e+05 0.00e+00 a 0 H.5 H.4 18 7.181 3.068 1 T -5.036e+05 0.00e+00 a 0 QD.5 HB2.5 19 7.181 2.968 1 T -4.358e+05 0.00e+00 a 0 QD.5 HB3.5 20 8.468 1.449 1 T -2.571e+05 0.00e+00 a 0 H.5 HG.4 21 8.139 1.450 1 T -1.364e+05 0.00e+00 a 0 H.4 HG.4 22 8.139 1.638 1 T -2.245e+05 0.00e+00 a 0 H.4 HB2.4 23 8.172 3.751 1 T -4.486e+05 0.00e+00 a 0 H.2 HB2.2 24 8.170 4.524 1 T -1.481e+05 0.00e+00 a 0 H.2 HA.2 25 8.139 4.524 1 T -1.557e+05 0.00e+00 a 0 H.4 HA.2 26 8.297 7.471 1 T -1.419e+05 0.00e+00 a 0 H.6 H.1 27 8.299 4.353 1 T -1.428e+05 0.00e+00 a 0 H.6 HA.6 28 7.471 3.617 1 T -3.220e+05 0.00e+00 a 0 H.1 HA2.1 29 8.466 3.071 1 T -2.481e+05 0.00e+00 a 0 H.5 HB2.5 30 8.466 2.972 1 T -2.583e+05 0.00e+00 a 0 H.5 HB3.5 32 8.273 8.139 1 T 1.652e+05 0.00e+00 a 0 - - 33 8.466 8.389 1 T 1.799e+05 0.00e+00 a 0 - - 34 3.480 1.949 1 T -2.312e+05 0.00e+00 a 0 HD2.3 HG2.3 35 2.143 1.652 1 T -5.408e+05 0.00e+00 a 0 HB2.3 HG3.3 36 2.150 1.949 1 T -1.134e+05 0.00e+00 a 0 HB2.3 HG2.3 38 1.949 1.652 1 T -9.613e+05 0.00e+00 a 0 HG2.3 HG3.3 39 3.569 1.652 1 T -2.341e+05 0.00e+00 a 0 HD3.3 HG3.3 40 3.572 1.948 1 T -1.031e+05 0.00e+00 a 0 HD3.3 HG2.3 42 1.652 1.448 1 T -2.228e+05 0.00e+00 a 0 HG3.3 HG.4 43 1.652 0.841 1 T -1.580e+05 0.00e+00 a 0 - - 44 8.300 2.972 1 T -6.995e+04 0.00e+00 a 0 H.6 HB3.5 45 8.468 1.637 1 T -8.487e+04 0.00e+00 a 0 H.5 HB2.4 47 8.300 7.173 1 T -7.623e+04 0.00e+00 a 0 H.6 QD.5 49 3.601 4.122 1 T -6.464e+05 0.00e+00 a 0 - - 50 8.139 4.476 1 T -2.872e+04 0.00e+00 a 0 H.4 HA.4 51 4.524 3.750 1 T -1.838e+05 0.00e+00 a 0 - - 53 3.485 1.662 1 T -3.193e+04 0.00e+00 a 0 HD2.3 HG3.3 54 2.146 4.582 1 T -4.370e+05 0.00e+00 a 0 HB2.3 HA.3 57 2.145 3.492 1 T -9.444e+04 0.00e+00 a 0 HB2.3 HD2.3 58 1.954 3.492 1 T -2.480e+05 0.00e+00 a 0 HG2.3 HD2.3 59 1.954 3.571 1 T -1.059e+05 0.00e+00 a 0 HG2.3 HD3.3 60 2.183 1.651 1 T 1.126e+05 0.00e+00 a 0 HB3.3 HG3.3 61 2.183 4.581 1 T -1.154e+05 0.00e+00 a 0 HB3.3 HA.3 ; 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 . . 12 ppm . . . 4.7 . . c30344_6azg 2 2 . . H 1 H . . 12 ppm . . . 4.7 . . c30344_6azg 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID c30344_6azg _Spectral_peak_list.ID 3 _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.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY 80' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H # INAME 2 H # CYANAFORMAT HH 1 8.139 4.487 1 T 4.856e+05 0.00e+00 a 0 H.4 HA.4 2 8.468 4.269 1 T 3.519e+05 0.00e+00 a 0 H.5 HA.5 4 8.468 3.068 1 T 2.241e+05 0.00e+00 a 0 H.5 HB2.5 5 8.468 2.964 1 T 2.509e+05 0.00e+00 a 0 H.5 HB3.5 7 3.483 1.947 1 T 2.282e+05 0.00e+00 a 0 HD2.3 HG2.3 8 3.485 1.664 1 T 1.252e+05 0.00e+00 a 0 HD2.3 HG3.3 9 3.565 2.154 1 T 4.704e+05 0.00e+00 a 0 HD3.3 HB2.3 10 3.562 1.946 1 T 2.540e+05 0.00e+00 a 0 HD3.3 HG2.3 11 3.565 1.663 1 T 2.860e+05 0.00e+00 a 0 HD3.3 HG3.3 12 8.299 4.356 1 T 2.902e+05 0.00e+00 a 0 H.6 HA.6 13 8.300 2.645 1 T 8.729e+05 0.00e+00 a 0 H.6 HB2.6 14 8.300 2.698 1 T 9.488e+05 0.00e+00 a 0 H.6 HB3.6 15 8.138 1.639 1 T 4.354e+05 0.00e+00 a 0 H.4 HB2.4 16 8.138 1.449 1 T 4.189e+05 0.00e+00 a 0 H.4 HG.4 17 8.138 0.804 1 T 1.503e+05 0.00e+00 a 0 H.4 QD1.4 18 7.473 3.621 1 T 6.724e+05 0.00e+00 a 0 H.1 HA2.1 19 7.472 3.797 1 T 1.019e+06 0.00e+00 a 0 H.1 HA3.1 20 8.170 4.523 1 T 3.941e+05 0.00e+00 a 0 H.2 HA.2 21 8.171 3.749 1 T 7.283e+05 0.00e+00 a 0 H.2 HB2.2 22 7.186 4.265 1 T 2.826e+03 0.00e+00 a 0 - - 23 8.468 7.343 1 T 7.790e+03 0.00e+00 a 0 - - 24 8.468 7.190 1 T -5.955e+03 0.00e+00 a 0 H.5 QD.5 25 8.468 8.140 1 T 3.948e+03 0.00e+00 a 0 H.5 H.4 28 7.180 7.181 1 T 3.397e+06 0.00e+00 a 0 QD.5 QD.5 29 7.203 7.203 1 T 1.496e+06 0.00e+00 a 0 - - 30 7.249 7.251 1 T 4.292e+06 0.00e+00 a 0 - - 33 8.468 1.449 1 T -2.326e+03 0.00e+00 a 0 H.5 HG.4 34 2.152 1.950 1 T 3.847e+05 0.00e+00 a 0 HB2.3 HG2.3 38 2.146 4.582 1 T 5.136e+05 0.00e+00 a 0 HB2.3 HA.3 39 2.146 4.582 1 T 5.136e+05 0.00e+00 a 0 - - 40 2.145 3.492 1 T 4.849e+05 0.00e+00 a 0 - - 41 1.954 3.492 1 T 1.409e+05 0.00e+00 a 0 - - 42 2.150 1.660 1 T 3.620e+05 0.00e+00 a 0 HB2.3 HG3.3 ; 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 . . 12 ppm . . . 4.7 . . c30344_6azg 3 2 . . H 1 H . . 12 ppm . . . 4.7 . . c30344_6azg 3 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c30344_6azg _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_ ##################################### # Conformer family coordinate set # ##################################### 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 c30344_6azg _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 . . . c30344_6azg 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 . . . . c30344_6azg 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 0.634 -0.813 -1.691 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 1 . 2 . 1 1 1 GLY CA C -0.627 -1.656 -1.547 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 1 . 3 . 1 1 1 GLY H1 H -0.856 -2.119 0.567 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 1 . 4 . 1 1 1 GLY HA2 H -0.410 -2.714 -1.705 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 1 . 5 . 1 1 1 GLY HA3 H -1.344 -1.306 -2.299 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 1 . 6 . 1 1 1 GLY N N -1.118 -1.457 -0.181 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 1 . 7 . 1 1 1 GLY O O 1.232 -0.646 -2.768 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 1 . 8 . 1 1 2 SER C C 2.546 0.455 1.051 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 1 . 9 . 1 1 2 SER CA C 2.259 0.539 -0.446 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 1 . 10 . 1 1 2 SER CB C 1.961 1.977 -0.832 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 1 . 11 . 1 1 2 SER H H 0.539 -0.414 0.309 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 1 . 12 . 1 1 2 SER HA H 3.075 0.118 -1.047 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 1 . 13 . 1 1 2 SER HB2 H 2.869 2.577 -0.807 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 1 . 14 . 1 1 2 SER HB3 H 1.550 2.005 -1.847 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 1 . 15 . 1 1 2 SER HG H 0.430 3.102 -0.333 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 1 . 16 . 1 1 2 SER N N 1.054 -0.269 -0.551 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 1 . 17 . 1 1 2 SER O O 1.633 0.133 1.792 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 1 . 18 . 1 1 2 SER OG O 1.046 2.488 0.115 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 1 . 19 . 1 1 3 PRO C C 3.093 1.694 3.762 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 1 . 20 . 1 1 3 PRO CA C 3.949 0.705 2.955 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 1 . 21 . 1 1 3 PRO CB C 5.439 1.080 3.137 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 1 . 22 . 1 1 3 PRO CD C 5.033 1.107 0.828 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 1 . 23 . 1 1 3 PRO CG C 6.088 0.780 1.824 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 1 . 24 . 1 1 3 PRO HA H 3.782 -0.303 3.293 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 1 . 25 . 1 1 3 PRO HB2 H 5.534 2.135 3.351 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 1 . 26 . 1 1 3 PRO HB3 H 5.885 0.464 3.939 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 1 . 27 . 1 1 3 PRO HD2 H 5.023 2.175 0.581 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 1 . 28 . 1 1 3 PRO HD3 H 5.179 0.539 -0.073 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 1 . 29 . 1 1 3 PRO HG2 H 6.979 1.395 1.670 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 1 . 30 . 1 1 3 PRO HG3 H 6.351 -0.281 1.727 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 1 . 31 . 1 1 3 PRO N N 3.780 0.757 1.498 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 1 . 32 . 1 1 3 PRO O O 2.943 1.544 4.949 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 1 . 33 . 1 1 4 LEU C C 0.304 3.874 3.677 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 1 . 34 . 1 1 4 LEU CA C 1.835 3.787 3.848 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 1 . 35 . 1 1 4 LEU CB C 2.445 5.170 3.486 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 1 . 36 . 1 1 4 LEU CD1 C 4.377 6.819 3.340 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 1 . 37 . 1 1 4 LEU CD2 C 4.321 5.164 5.220 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 1 . 38 . 1 1 4 LEU CG C 3.963 5.401 3.745 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 1 . 39 . 1 1 4 LEU H H 2.660 2.828 2.100 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 1 . 40 . 1 1 4 LEU HA H 1.996 3.626 4.913 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 1 . 41 . 1 1 4 LEU HB2 H 2.271 5.335 2.420 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 1 . 42 . 1 1 4 LEU HB3 H 1.882 5.924 4.030 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 1 . 43 . 1 1 4 LEU HD11 H 5.440 6.972 3.616 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 1 . 44 . 1 1 4 LEU HD12 H 3.753 7.539 3.836 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 1 . 45 . 1 1 4 LEU HD13 H 4.269 6.947 2.270 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 1 . 46 . 1 1 4 LEU HD21 H 4.332 4.078 5.422 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 1 . 47 . 1 1 4 LEU HD22 H 3.595 5.631 5.850 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 1 . 48 . 1 1 4 LEU HD23 H 5.314 5.551 5.449 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 1 . 49 . 1 1 4 LEU HG H 4.507 4.688 3.142 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 1 . 50 . 1 1 4 LEU N N 2.555 2.736 3.128 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 1 . 51 . 1 1 4 LEU O O -0.362 4.435 4.530 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 1 . 52 . 1 1 5 PHE C C -2.360 2.272 1.701 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 1 . 53 . 1 1 5 PHE CA C -1.728 3.501 2.354 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 1 . 54 . 1 1 5 PHE CB C -1.964 4.735 1.447 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 1 . 55 . 1 1 5 PHE CD1 C -1.494 4.100 -1.015 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 1 . 56 . 1 1 5 PHE CD2 C 0.078 5.471 0.211 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 1 . 57 . 1 1 5 PHE CE1 C -0.684 4.136 -2.171 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 1 . 58 . 1 1 5 PHE CE2 C 0.934 5.528 -0.966 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 1 . 59 . 1 1 5 PHE CG C -1.118 4.773 0.204 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 1 . 60 . 1 1 5 PHE CZ C 0.518 4.853 -2.136 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 1 . 61 . 1 1 5 PHE H H 0.256 2.819 1.963 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 1 . 62 . 1 1 5 PHE HA H -2.262 3.712 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 1 . 63 . 1 1 5 PHE HB2 H -3.015 4.784 1.142 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 1 . 64 . 1 1 5 PHE HB3 H -1.752 5.614 2.049 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 1 . 65 . 1 1 5 PHE HD1 H -2.390 3.562 -1.047 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 1 . 66 . 1 1 5 PHE HD2 H 0.387 5.978 1.114 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 1 . 67 . 1 1 5 PHE HE1 H -0.983 3.614 -3.067 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 1 . 68 . 1 1 5 PHE HE2 H 1.861 6.071 -0.973 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 1 . 69 . 1 1 5 PHE HZ H 1.155 4.908 -3.009 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 1 . 70 . 1 1 5 PHE N N -0.265 3.339 2.604 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 1 . 71 . 1 1 5 PHE O O -3.282 2.395 0.909 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 1 . 72 . 1 1 6 ASP C C -1.916 -0.426 0.092 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 1 . 73 . 1 1 6 ASP CA C -2.268 -0.201 1.556 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 1 . 74 . 1 1 6 ASP CB C -3.748 -0.499 1.839 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 1 . 75 . 1 1 6 ASP CG C -3.982 -1.137 3.240 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 1 . 76 . 1 1 6 ASP H H -1.085 1.129 2.712 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 1 . 77 . 1 1 6 ASP HA H -1.704 -0.937 2.094 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 1 . 78 . 1 1 6 ASP HB2 H -4.330 0.419 1.813 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 1 . 79 . 1 1 6 ASP HB3 H -4.138 -1.159 1.048 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 1 . 80 . 1 1 6 ASP N N -1.824 1.121 2.056 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 1 . 81 . 1 1 6 ASP O O -2.339 0.364 -0.789 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 1 . 82 . 1 1 6 ASP OD1 O -3.326 -2.158 3.564 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 1 . 83 . 1 1 6 ASP OD2 O -4.801 -0.603 4.011 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 2 . 84 . 1 1 1 GLY C C 1.094 -1.203 0.581 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 2 . 85 . 1 1 1 GLY CA C 0.053 -0.732 -0.430 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 2 . 86 . 1 1 1 GLY H1 H -1.157 -0.709 1.309 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 2 . 87 . 1 1 1 GLY HA2 H -0.079 -1.488 -1.183 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 2 . 88 . 1 1 1 GLY HA3 H 0.349 0.222 -0.872 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 2 . 89 . 1 1 1 GLY N N -1.159 -0.494 0.300 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 2 . 90 . 1 1 1 GLY O O 0.721 -1.437 1.733 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 2 . 91 . 1 1 2 SER C C 4.043 -0.412 1.820 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 2 . 92 . 1 1 2 SER CA C 3.425 -1.658 1.117 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 2 . 93 . 1 1 2 SER CB C 4.519 -2.492 0.430 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 2 . 94 . 1 1 2 SER H H 2.602 -1.110 -0.811 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 2 . 95 . 1 1 2 SER HA H 2.989 -2.302 1.896 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 2 . 96 . 1 1 2 SER HB2 H 4.051 -3.380 0.025 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 2 . 97 . 1 1 2 SER HB3 H 4.991 -1.908 -0.348 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 2 . 98 . 1 1 2 SER HG H 6.082 -3.540 0.913 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 2 . 99 . 1 1 2 SER N N 2.357 -1.291 0.177 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 2 . 100 . 1 1 2 SER O O 3.944 -0.337 3.014 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 2 . 101 . 1 1 2 SER OG O 5.531 -2.897 1.355 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 2 . 102 . 1 1 3 PRO C C 4.178 2.714 2.294 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 2 . 103 . 1 1 3 PRO CA C 5.190 1.661 1.830 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 2 . 104 . 1 1 3 PRO CB C 6.207 2.248 0.837 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 2 . 105 . 1 1 3 PRO CD C 4.856 0.734 -0.377 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 2 . 106 . 1 1 3 PRO CG C 5.566 2.104 -0.490 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 2 . 107 . 1 1 3 PRO HA H 5.736 1.260 2.679 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 2 . 108 . 1 1 3 PRO HB2 H 6.338 3.295 1.055 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 2 . 109 . 1 1 3 PRO HB3 H 7.136 1.677 0.861 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 2 . 110 . 1 1 3 PRO HD2 H 3.891 0.754 -0.901 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 2 . 111 . 1 1 3 PRO HD3 H 5.500 -0.057 -0.765 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 2 . 112 . 1 1 3 PRO HG2 H 4.850 2.884 -0.627 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 2 . 113 . 1 1 3 PRO HG3 H 6.319 2.077 -1.268 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 2 . 114 . 1 1 3 PRO N N 4.630 0.548 1.073 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 2 . 115 . 1 1 3 PRO O O 4.558 3.730 2.877 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 2 . 116 . 1 1 4 LEU C C 0.574 2.602 2.503 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 2 . 117 . 1 1 4 LEU CA C 1.860 3.401 2.406 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 2 . 118 . 1 1 4 LEU CB C 1.712 4.525 1.333 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 2 . 119 . 1 1 4 LEU CD1 C 0.765 5.613 -0.685 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 2 . 120 . 1 1 4 LEU CD2 C 1.719 3.313 -0.957 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 2 . 121 . 1 1 4 LEU CG C 1.009 4.240 0.000 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 2 . 122 . 1 1 4 LEU H H 2.594 1.640 1.599 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 2 . 123 . 1 1 4 LEU HA H 2.112 3.849 3.366 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 2 . 124 . 1 1 4 LEU HB2 H 1.131 5.305 1.802 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 2 . 125 . 1 1 4 LEU HB3 H 2.704 4.947 1.132 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 2 . 126 . 1 1 4 LEU HD11 H 0.099 6.209 -0.072 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 2 . 127 . 1 1 4 LEU HD12 H 0.313 5.452 -1.670 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 2 . 128 . 1 1 4 LEU HD13 H 1.715 6.141 -0.803 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 2 . 129 . 1 1 4 LEU HD21 H 1.067 3.100 -1.786 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 2 . 130 . 1 1 4 LEU HD22 H 1.942 2.382 -0.443 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 2 . 131 . 1 1 4 LEU HD23 H 2.627 3.775 -1.312 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 2 . 132 . 1 1 4 LEU HG H 0.047 3.803 0.228 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 2 . 133 . 1 1 4 LEU N N 2.897 2.476 2.038 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 2 . 134 . 1 1 4 LEU O O 0.553 1.492 2.038 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 2 . 135 . 1 1 5 PHE C C -2.297 2.046 1.858 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 2 . 136 . 1 1 5 PHE CA C -1.803 2.529 3.225 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 2 . 137 . 1 1 5 PHE CB C -2.779 3.569 3.806 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 2 . 138 . 1 1 5 PHE CD1 C -4.484 2.320 5.242 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 2 . 139 . 1 1 5 PHE CD2 C -5.188 3.221 3.064 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 2 . 140 . 1 1 5 PHE CE1 C -5.789 1.817 5.459 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 2 . 141 . 1 1 5 PHE CE2 C -6.519 2.708 3.283 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 2 . 142 . 1 1 5 PHE CG C -4.171 3.028 4.047 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 2 . 143 . 1 1 5 PHE CZ C -6.809 2.011 4.480 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 2 . 144 . 1 1 5 PHE H H -0.408 4.119 3.417 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 2 . 145 . 1 1 5 PHE HA H -1.693 1.680 3.906 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 2 . 146 . 1 1 5 PHE HB2 H -2.383 3.947 4.753 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 2 . 147 . 1 1 5 PHE HB3 H -2.816 4.385 3.080 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 2 . 148 . 1 1 5 PHE HD1 H -3.712 2.179 5.998 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 2 . 149 . 1 1 5 PHE HD2 H -4.987 3.726 2.131 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 2 . 150 . 1 1 5 PHE HE1 H -5.970 1.281 6.396 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 2 . 151 . 1 1 5 PHE HE2 H -7.288 2.839 2.541 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 2 . 152 . 1 1 5 PHE HZ H -7.807 1.617 4.646 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 2 . 153 . 1 1 5 PHE N N -0.485 3.196 3.081 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 2 . 154 . 1 1 5 PHE O O -2.081 2.729 0.846 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 2 . 155 . 1 1 6 ASP C C -2.219 0.001 -0.303 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 2 . 156 . 1 1 6 ASP CA C -3.459 0.267 0.607 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 2 . 157 . 1 1 6 ASP CB C -4.563 1.112 -0.068 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 2 . 158 . 1 1 6 ASP CG C -5.277 0.364 -1.195 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 2 . 159 . 1 1 6 ASP H H -3.068 0.403 2.683 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 2 . 160 . 1 1 6 ASP HA H -3.905 -0.695 0.867 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 2 . 161 . 1 1 6 ASP HB2 H -5.304 1.415 0.708 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 2 . 162 . 1 1 6 ASP HB3 H -4.125 2.016 -0.471 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 2 . 163 . 1 1 6 ASP N N -2.943 0.903 1.837 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 2 . 164 . 1 1 6 ASP O O -2.221 0.259 -1.509 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 2 . 165 . 1 1 6 ASP OD1 O -5.286 -0.879 -1.156 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 2 . 166 . 1 1 6 ASP OD2 O -5.841 1.035 -2.098 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 3 . 167 . 1 1 1 GLY C C 0.954 -1.215 0.499 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 3 . 168 . 1 1 1 GLY CA C -0.105 -1.031 -0.555 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 3 . 169 . 1 1 1 GLY H1 H -1.138 -0.271 1.156 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 3 . 170 . 1 1 1 GLY HA2 H -0.356 -2.011 -0.993 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 3 . 171 . 1 1 1 GLY HA3 H 0.227 -0.343 -1.342 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 3 . 172 . 1 1 1 GLY N N -1.224 -0.443 0.154 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 3 . 173 . 1 1 1 GLY O O 0.688 -0.925 1.664 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 3 . 174 . 1 1 2 SER C C 3.722 -0.484 1.687 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 3 . 175 . 1 1 2 SER CA C 3.228 -1.843 1.117 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 3 . 176 . 1 1 2 SER CB C 4.404 -2.656 0.541 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 3 . 177 . 1 1 2 SER H H 2.305 -1.944 -0.853 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 3 . 178 . 1 1 2 SER HA H 2.818 -2.418 1.956 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 3 . 179 . 1 1 2 SER HB2 H 4.796 -2.151 -0.340 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 3 . 180 . 1 1 2 SER HB3 H 5.185 -2.733 1.290 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 3 . 181 . 1 1 2 SER HG H 3.374 -4.312 0.830 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 3 . 182 . 1 1 2 SER N N 2.143 -1.694 0.129 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 3 . 183 . 1 1 2 SER O O 3.847 -0.320 2.889 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 3 . 184 . 1 1 2 SER OG O 3.989 -3.944 0.163 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 3 . 185 . 1 1 3 PRO C C 3.058 2.519 1.901 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 3 . 186 . 1 1 3 PRO CA C 4.367 1.811 1.487 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 3 . 187 . 1 1 3 PRO CB C 5.061 2.589 0.357 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 3 . 188 . 1 1 3 PRO CD C 4.118 0.637 -0.642 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 3 . 189 . 1 1 3 PRO CG C 4.405 2.103 -0.859 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 3 . 190 . 1 1 3 PRO HA H 5.044 1.677 2.325 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 3 . 191 . 1 1 3 PRO HB2 H 4.916 3.635 0.473 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 3 . 192 . 1 1 3 PRO HB3 H 6.122 2.361 0.320 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 3 . 193 . 1 1 3 PRO HD2 H 3.162 0.359 -1.109 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 3 . 194 . 1 1 3 PRO HD3 H 4.947 0.023 -0.997 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 3 . 195 . 1 1 3 PRO HG2 H 3.501 2.640 -1.045 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 3 . 196 . 1 1 3 PRO HG3 H 5.085 2.234 -1.709 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 3 . 197 . 1 1 3 PRO N N 4.040 0.522 0.831 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 3 . 198 . 1 1 3 PRO O O 1.988 2.228 1.292 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 3 . 199 . 1 1 4 LEU C C 0.871 3.124 3.692 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 3 . 200 . 1 1 4 LEU CA C 1.911 4.198 3.319 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 3 . 201 . 1 1 4 LEU CB C 1.367 5.180 2.266 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 3 . 202 . 1 1 4 LEU CD1 C 2.479 7.283 3.173 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 3 . 203 . 1 1 4 LEU CD2 C 3.481 6.112 1.189 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 3 . 204 . 1 1 4 LEU CG C 2.178 6.450 1.898 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 3 . 205 . 1 1 4 LEU H H 4.012 3.576 3.350 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 3 . 206 . 1 1 4 LEU HA H 2.163 4.756 4.220 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 3 . 207 . 1 1 4 LEU HB2 H 1.246 4.600 1.353 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 3 . 208 . 1 1 4 LEU HB3 H 0.387 5.494 2.587 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 3 . 209 . 1 1 4 LEU HD11 H 1.550 7.522 3.692 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 3 . 210 . 1 1 4 LEU HD12 H 2.974 8.215 2.874 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 3 . 211 . 1 1 4 LEU HD13 H 3.118 6.724 3.845 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 3 . 212 . 1 1 4 LEU HD21 H 3.291 5.329 0.435 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 3 . 213 . 1 1 4 LEU HD22 H 4.210 5.785 1.913 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 3 . 214 . 1 1 4 LEU HD23 H 3.845 7.006 0.690 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 3 . 215 . 1 1 4 LEU HG H 1.563 7.037 1.227 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 3 . 216 . 1 1 4 LEU N N 3.121 3.418 2.880 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 3 . 217 . 1 1 4 LEU O O 1.083 2.358 4.617 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 3 . 218 . 1 1 5 PHE C C -1.920 1.869 1.824 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 3 . 219 . 1 1 5 PHE CA C -1.308 2.117 3.194 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 3 . 220 . 1 1 5 PHE CB C -2.340 2.710 4.163 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 3 . 221 . 1 1 5 PHE CD1 C -4.363 3.789 3.114 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 3 . 222 . 1 1 5 PHE CD2 C -2.519 5.218 3.697 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 3 . 223 . 1 1 5 PHE CE1 C -5.115 4.917 2.675 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 3 . 224 . 1 1 5 PHE CE2 C -3.248 6.343 3.252 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 3 . 225 . 1 1 5 PHE CG C -3.075 3.918 3.651 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 3 . 226 . 1 1 5 PHE CZ C -4.559 6.204 2.751 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 3 . 227 . 1 1 5 PHE H H -0.392 3.711 2.184 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 3 . 228 . 1 1 5 PHE HA H -0.904 1.186 3.606 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 3 . 229 . 1 1 5 PHE HB2 H -3.077 1.930 4.390 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 3 . 230 . 1 1 5 PHE HB3 H -1.832 2.974 5.093 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 3 . 231 . 1 1 5 PHE HD1 H -4.811 2.776 3.047 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 3 . 232 . 1 1 5 PHE HD2 H -1.491 5.357 4.087 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 3 . 233 . 1 1 5 PHE HE1 H -6.116 4.772 2.267 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 3 . 234 . 1 1 5 PHE HE2 H -2.782 7.327 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 3 . 235 . 1 1 5 PHE HZ H -5.123 7.062 2.429 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 3 . 236 . 1 1 5 PHE N N -0.242 3.077 2.965 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 3 . 237 . 1 1 5 PHE O O -1.536 2.546 0.876 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 3 . 238 . 1 1 6 ASP C C -2.355 -0.111 -0.439 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 3 . 239 . 1 1 6 ASP CA C -3.437 0.464 0.507 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 3 . 240 . 1 1 6 ASP CB C -4.270 1.573 -0.159 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 3 . 241 . 1 1 6 ASP CG C -5.113 1.028 -1.298 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 3 . 242 . 1 1 6 ASP H H -3.093 0.423 2.593 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 3 . 243 . 1 1 6 ASP HA H -4.124 -0.356 0.736 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 3 . 244 . 1 1 6 ASP HB2 H -4.908 2.006 0.596 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 3 . 245 . 1 1 6 ASP HB3 H -3.583 2.343 -0.547 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 3 . 246 . 1 1 6 ASP N N -2.827 0.893 1.756 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 3 . 247 . 1 1 6 ASP O O -2.532 -0.265 -1.633 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 3 . 248 . 1 1 6 ASP OD1 O -5.068 1.602 -2.383 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 3 . 249 . 1 1 6 ASP OD2 O -5.835 0.023 -1.080 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 4 . 250 . 1 1 1 GLY C C 1.223 -1.719 0.271 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 4 . 251 . 1 1 1 GLY CA C -0.200 -1.808 -0.144 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 4 . 252 . 1 1 1 GLY H1 H -0.866 -0.413 1.351 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 4 . 253 . 1 1 1 GLY HA2 H -0.591 -2.772 0.169 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 4 . 254 . 1 1 1 GLY HA3 H -0.245 -1.754 -1.227 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 4 . 255 . 1 1 1 GLY N N -1.043 -0.755 0.408 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 4 . 256 . 1 1 1 GLY O O 1.532 -1.984 1.435 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 4 . 257 . 1 1 2 SER C C 3.768 0.089 0.444 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 4 . 258 . 1 1 2 SER CA C 3.529 -1.161 -0.382 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 4 . 259 . 1 1 2 SER CB C 4.344 -1.099 -1.686 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 4 . 260 . 1 1 2 SER H H 1.765 -1.215 -1.585 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 4 . 261 . 1 1 2 SER HA H 3.862 -1.990 0.206 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 4 . 262 . 1 1 2 SER HB2 H 4.112 -1.979 -2.273 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 4 . 263 . 1 1 2 SER HB3 H 4.105 -0.221 -2.253 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 4 . 264 . 1 1 2 SER HG H 5.886 -0.530 -0.597 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 4 . 265 . 1 1 2 SER N N 2.097 -1.365 -0.669 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 4 . 266 . 1 1 2 SER O O 4.538 0.023 1.428 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 4 . 267 . 1 1 2 SER OG O 5.747 -1.077 -1.420 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 4 . 268 . 1 1 3 PRO C C 2.624 2.158 2.324 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 4 . 269 . 1 1 3 PRO CA C 3.280 2.377 0.978 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 4 . 270 . 1 1 3 PRO CB C 2.550 3.508 0.226 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 4 . 271 . 1 1 3 PRO CD C 2.276 1.559 -1.055 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 4 . 272 . 1 1 3 PRO CG C 2.499 3.057 -1.185 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 4 . 273 . 1 1 3 PRO HA H 4.333 2.633 1.099 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 4 . 274 . 1 1 3 PRO HB2 H 1.533 3.640 0.638 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 4 . 275 . 1 1 3 PRO HB3 H 3.135 4.421 0.297 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 4 . 276 . 1 1 3 PRO HD2 H 1.243 1.336 -0.788 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 4 . 277 . 1 1 3 PRO HD3 H 2.538 1.016 -1.962 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 4 . 278 . 1 1 3 PRO HG2 H 1.659 3.523 -1.701 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 4 . 279 . 1 1 3 PRO HG3 H 3.441 3.265 -1.694 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 4 . 280 . 1 1 3 PRO N N 3.149 1.226 0.087 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 4 . 281 . 1 1 3 PRO O O 2.084 1.102 2.613 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 4 . 282 . 1 1 4 LEU C C 0.511 2.835 4.389 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 4 . 283 . 1 1 4 LEU CA C 2.018 3.137 4.491 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 4 . 284 . 1 1 4 LEU CB C 2.216 4.504 5.162 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 4 . 285 . 1 1 4 LEU CD1 C 3.706 6.296 5.965 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 4 . 286 . 1 1 4 LEU CD2 C 4.068 4.007 6.844 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 4 . 287 . 1 1 4 LEU CG C 3.630 4.809 5.650 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 4 . 288 . 1 1 4 LEU H H 3.076 4.085 2.887 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 4 . 289 . 1 1 4 LEU HA H 2.526 2.348 5.061 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 4 . 290 . 1 1 4 LEU HB2 H 1.906 5.274 4.445 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 4 . 291 . 1 1 4 LEU HB3 H 1.545 4.566 6.024 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 4 . 292 . 1 1 4 LEU HD11 H 2.952 6.556 6.689 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 4 . 293 . 1 1 4 LEU HD12 H 3.553 6.863 5.032 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 4 . 294 . 1 1 4 LEU HD13 H 4.697 6.541 6.347 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 4 . 295 . 1 1 4 LEU HD21 H 4.132 2.959 6.581 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 4 . 296 . 1 1 4 LEU HD22 H 3.351 4.141 7.667 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 4 . 297 . 1 1 4 LEU HD23 H 5.047 4.336 7.134 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 4 . 298 . 1 1 4 LEU HG H 4.340 4.588 4.849 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 4 . 299 . 1 1 4 LEU N N 2.636 3.195 3.158 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 4 . 300 . 1 1 4 LEU O O -0.087 2.359 5.327 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 4 . 301 . 1 1 5 PHE C C -1.633 2.103 1.678 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 4 . 302 . 1 1 5 PHE CA C -1.516 2.786 3.021 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 4 . 303 . 1 1 5 PHE CB C -2.346 4.090 3.031 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 4 . 304 . 1 1 5 PHE CD1 C -2.818 4.517 5.451 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 4 . 305 . 1 1 5 PHE CD2 C -1.308 6.011 4.292 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 4 . 306 . 1 1 5 PHE CE1 C -2.637 5.279 6.635 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 4 . 307 . 1 1 5 PHE CE2 C -1.121 6.803 5.434 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 4 . 308 . 1 1 5 PHE CG C -2.169 4.884 4.274 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 4 . 309 . 1 1 5 PHE CZ C -1.770 6.445 6.639 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 4 . 310 . 1 1 5 PHE H H 0.398 3.480 2.467 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 4 . 311 . 1 1 5 PHE HA H -1.867 2.119 3.820 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 4 . 312 . 1 1 5 PHE HB2 H -2.064 4.702 2.167 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 4 . 313 . 1 1 5 PHE HB3 H -3.391 3.823 2.913 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 4 . 314 . 1 1 5 PHE HD1 H -3.487 3.652 5.476 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 4 . 315 . 1 1 5 PHE HD2 H -0.769 6.302 3.387 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 4 . 316 . 1 1 5 PHE HE1 H -3.132 4.979 7.539 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 4 . 317 . 1 1 5 PHE HE2 H -0.468 7.646 5.401 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 4 . 318 . 1 1 5 PHE HZ H -1.637 7.022 7.522 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 4 . 319 . 1 1 5 PHE N N -0.107 3.105 3.237 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 4 . 320 . 1 1 5 PHE O O -0.751 2.262 0.840 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 4 . 321 . 1 1 6 ASP C C -2.058 -0.328 -0.326 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 4 . 322 . 1 1 6 ASP CA C -3.040 0.675 0.245 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 4 . 323 . 1 1 6 ASP CB C -3.407 1.712 -0.817 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 4 . 324 . 1 1 6 ASP CG C -4.239 1.117 -1.972 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 4 . 325 . 1 1 6 ASP H H -3.340 1.243 2.253 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 4 . 326 . 1 1 6 ASP HA H -3.955 0.117 0.441 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 4 . 327 . 1 1 6 ASP HB2 H -3.965 2.521 -0.323 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 4 . 328 . 1 1 6 ASP HB3 H -2.502 2.124 -1.216 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 4 . 329 . 1 1 6 ASP N N -2.698 1.341 1.500 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 4 . 330 . 1 1 6 ASP O O -2.218 -0.770 -1.487 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 4 . 331 . 1 1 6 ASP OD1 O -3.819 1.305 -3.135 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 4 . 332 . 1 1 6 ASP OD2 O -5.271 0.462 -1.721 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 5 . 333 . 1 1 1 GLY C C 0.885 -0.711 -1.445 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 5 . 334 . 1 1 1 GLY CA C -0.530 -1.304 -1.459 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 5 . 335 . 1 1 1 GLY H1 H -0.814 -1.607 0.667 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 5 . 336 . 1 1 1 GLY HA2 H -0.464 -2.364 -1.714 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 5 . 337 . 1 1 1 GLY HA3 H -1.129 -0.797 -2.242 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 5 . 338 . 1 1 1 GLY N N -1.217 -1.172 -0.160 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 5 . 339 . 1 1 1 GLY O O 1.626 -0.773 -2.420 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 5 . 340 . 1 1 2 SER C C 2.886 0.509 1.336 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 5 . 341 . 1 1 2 SER CA C 2.595 0.490 -0.158 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 5 . 342 . 1 1 2 SER CB C 2.535 1.944 -0.715 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 5 . 343 . 1 1 2 SER H H 0.619 -0.088 0.472 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 5 . 344 . 1 1 2 SER HA H 3.368 -0.090 -0.664 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 5 . 345 . 1 1 2 SER HB2 H 3.546 2.258 -0.916 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 5 . 346 . 1 1 2 SER HB3 H 1.969 1.980 -1.653 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 5 . 347 . 1 1 2 SER HG H 1.078 3.150 -0.211 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 5 . 348 . 1 1 2 SER N N 1.251 -0.132 -0.317 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 5 . 349 . 1 1 2 SER O O 2.036 0.164 2.164 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 5 . 350 . 1 1 2 SER OG O 1.903 2.817 0.194 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 5 . 351 . 1 1 3 PRO C C 3.520 2.239 3.847 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 5 . 352 . 1 1 3 PRO CA C 4.256 1.031 3.213 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 5 . 353 . 1 1 3 PRO CB C 5.754 1.220 3.310 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 5 . 354 . 1 1 3 PRO CD C 5.310 1.339 1.044 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 5 . 355 . 1 1 3 PRO CG C 6.162 1.940 2.083 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 5 . 356 . 1 1 3 PRO HA H 3.975 0.093 3.701 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 5 . 357 . 1 1 3 PRO HB2 H 6.055 1.791 4.203 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 5 . 358 . 1 1 3 PRO HB3 H 6.218 0.225 3.321 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 5 . 359 . 1 1 3 PRO HD2 H 5.104 2.116 0.294 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 5 . 360 . 1 1 3 PRO HD3 H 5.788 0.470 0.592 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 5 . 361 . 1 1 3 PRO HG2 H 5.934 3.021 2.157 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 5 . 362 . 1 1 3 PRO HG3 H 7.221 1.742 1.893 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 5 . 363 . 1 1 3 PRO N N 4.077 0.925 1.758 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 5 . 364 . 1 1 3 PRO O O 3.622 2.463 5.064 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 5 . 365 . 1 1 4 LEU C C 0.619 4.127 3.445 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 5 . 366 . 1 1 4 LEU CA C 2.123 4.209 3.547 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 5 . 367 . 1 1 4 LEU CB C 2.567 5.438 2.764 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 5 . 368 . 1 1 4 LEU CD1 C 4.459 6.762 1.910 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 5 . 369 . 1 1 4 LEU CD2 C 4.476 6.087 4.314 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 5 . 370 . 1 1 4 LEU CG C 4.076 5.678 2.890 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 5 . 371 . 1 1 4 LEU H H 2.718 2.790 2.041 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 5 . 372 . 1 1 4 LEU HA H 2.380 4.356 4.592 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 5 . 373 . 1 1 4 LEU HB2 H 2.308 5.315 1.703 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 5 . 374 . 1 1 4 LEU HB3 H 2.063 6.327 3.135 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 5 . 375 . 1 1 4 LEU HD11 H 3.903 7.671 2.105 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 5 . 376 . 1 1 4 LEU HD12 H 4.244 6.423 0.911 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 5 . 377 . 1 1 4 LEU HD13 H 5.524 6.972 2.026 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 5 . 378 . 1 1 4 LEU HD21 H 5.509 6.424 4.307 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 5 . 379 . 1 1 4 LEU HD22 H 4.363 5.235 4.988 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 5 . 380 . 1 1 4 LEU HD23 H 3.837 6.906 4.654 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 5 . 381 . 1 1 4 LEU HG H 4.603 4.764 2.629 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 5 . 382 . 1 1 4 LEU N N 2.809 3.024 3.035 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 5 . 383 . 1 1 4 LEU O O -0.087 4.893 4.073 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 5 . 384 . 1 1 5 PHE C C -1.495 1.553 1.958 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 5 . 385 . 1 1 5 PHE CA C -1.325 2.997 2.465 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 5 . 386 . 1 1 5 PHE CB C -1.950 4.004 1.467 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 5 . 387 . 1 1 5 PHE CD1 C -0.361 5.156 -0.093 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 5 . 388 . 1 1 5 PHE CD2 C -1.399 3.089 -0.831 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 5 . 389 . 1 1 5 PHE CE1 C 0.337 5.253 -1.348 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 5 . 390 . 1 1 5 PHE CE2 C -0.690 3.143 -2.041 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 5 . 391 . 1 1 5 PHE CG C -1.232 4.076 0.161 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 5 . 392 . 1 1 5 PHE CZ C 0.174 4.230 -2.315 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 5 . 393 . 1 1 5 PHE H H 0.732 2.536 2.104 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 5 . 394 . 1 1 5 PHE HA H -1.830 3.105 3.436 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 5 . 395 . 1 1 5 PHE HB2 H -2.992 3.741 1.315 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 5 . 396 . 1 1 5 PHE HB3 H -1.923 4.995 1.914 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 5 . 397 . 1 1 5 PHE HD1 H -0.245 5.918 0.668 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 5 . 398 . 1 1 5 PHE HD2 H -2.082 2.250 -0.655 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 5 . 399 . 1 1 5 PHE HE1 H 0.971 6.110 -1.516 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 5 . 400 . 1 1 5 PHE HE2 H -0.811 2.349 -2.791 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 5 . 401 . 1 1 5 PHE HZ H 0.697 4.263 -3.222 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 5 . 402 . 1 1 5 PHE N N 0.121 3.194 2.632 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 5 . 403 . 1 1 5 PHE O O -0.520 0.902 1.665 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 5 . 404 . 1 1 6 ASP C C -2.364 -0.487 -0.040 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 5 . 405 . 1 1 6 ASP CA C -2.940 -0.358 1.353 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 5 . 406 . 1 1 6 ASP CB C -4.431 -0.705 1.285 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 5 . 407 . 1 1 6 ASP CG C -5.003 -1.045 2.646 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 5 . 408 . 1 1 6 ASP H H -3.530 1.572 2.056 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 5 . 409 . 1 1 6 ASP HA H -2.437 -1.072 2.016 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 5 . 410 . 1 1 6 ASP HB2 H -4.953 0.151 0.867 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 5 . 411 . 1 1 6 ASP HB3 H -4.563 -1.548 0.604 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 5 . 412 . 1 1 6 ASP N N -2.721 1.035 1.842 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 5 . 413 . 1 1 6 ASP O O -2.932 0.020 -0.982 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 5 . 414 . 1 1 6 ASP OD1 O -6.072 -0.497 2.997 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 5 . 415 . 1 1 6 ASP OD2 O -4.378 -1.849 3.379 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 6 . 416 . 1 1 1 GLY C C 0.794 -0.859 -1.434 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 6 . 417 . 1 1 1 GLY CA C -0.516 -1.633 -1.364 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 6 . 418 . 1 1 1 GLY H1 H -1.050 -1.882 0.684 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 6 . 419 . 1 1 1 GLY HA2 H -0.286 -2.683 -1.385 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 6 . 420 . 1 1 1 GLY HA3 H -1.129 -1.406 -2.259 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 6 . 421 . 1 1 1 GLY N N -1.265 -1.336 -0.149 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 6 . 422 . 1 1 1 GLY O O 1.480 -0.880 -2.458 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 6 . 423 . 1 1 2 SER C C 2.874 0.613 1.155 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 6 . 424 . 1 1 2 SER CA C 2.405 0.601 -0.320 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 6 . 425 . 1 1 2 SER CB C 2.156 2.032 -0.855 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 6 . 426 . 1 1 2 SER H H 0.612 -0.170 0.454 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 6 . 427 . 1 1 2 SER HA H 3.172 0.099 -0.906 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 6 . 428 . 1 1 2 SER HB2 H 3.118 2.540 -0.960 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 6 . 429 . 1 1 2 SER HB3 H 1.684 1.947 -1.853 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 6 . 430 . 1 1 2 SER HG H 0.387 2.728 -0.431 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 6 . 431 . 1 1 2 SER N N 1.162 -0.172 -0.363 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 6 . 432 . 1 1 2 SER O O 2.127 0.085 2.011 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 6 . 433 . 1 1 2 SER OG O 1.275 2.800 -0.030 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 6 . 434 . 1 1 3 PRO C C 3.426 2.081 3.736 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 6 . 435 . 1 1 3 PRO CA C 4.291 1.078 2.945 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 6 . 436 . 1 1 3 PRO CB C 5.760 1.468 3.077 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 6 . 437 . 1 1 3 PRO CD C 5.173 1.829 0.815 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 6 . 438 . 1 1 3 PRO CG C 5.984 2.373 1.940 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 6 . 439 . 1 1 3 PRO HA H 4.151 0.101 3.341 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 6 . 440 . 1 1 3 PRO HB2 H 5.976 1.978 4.017 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 6 . 441 . 1 1 3 PRO HB3 H 6.383 0.581 3.000 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 6 . 442 . 1 1 3 PRO HD2 H 4.865 2.651 0.185 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 6 . 443 . 1 1 3 PRO HD3 H 5.726 1.073 0.233 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 6 . 444 . 1 1 3 PRO HG2 H 5.627 3.375 2.185 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 6 . 445 . 1 1 3 PRO HG3 H 7.040 2.376 1.666 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 6 . 446 . 1 1 3 PRO N N 4.052 1.152 1.502 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 6 . 447 . 1 1 3 PRO O O 3.309 1.922 4.951 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 6 . 448 . 1 1 4 LEU C C 0.556 3.909 3.699 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 6 . 449 . 1 1 4 LEU CA C 2.084 4.130 3.740 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 6 . 450 . 1 1 4 LEU CB C 2.365 5.509 3.092 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 6 . 451 . 1 1 4 LEU CD1 C 3.962 7.455 2.616 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 6 . 452 . 1 1 4 LEU CD2 C 4.093 6.254 4.815 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 6 . 453 . 1 1 4 LEU CG C 3.768 6.091 3.320 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 6 . 454 . 1 1 4 LEU H H 2.971 3.130 2.077 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 6 . 455 . 1 1 4 LEU HA H 2.374 4.125 4.793 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 6 . 456 . 1 1 4 LEU HB2 H 2.210 5.419 2.036 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 6 . 457 . 1 1 4 LEU HB3 H 1.629 6.249 3.468 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 6 . 458 . 1 1 4 LEU HD11 H 4.987 7.797 2.766 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 6 . 459 . 1 1 4 LEU HD12 H 3.256 8.210 3.044 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 6 . 460 . 1 1 4 LEU HD13 H 3.771 7.332 1.566 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 6 . 461 . 1 1 4 LEU HD21 H 3.665 7.167 5.192 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 6 . 462 . 1 1 4 LEU HD22 H 5.144 6.284 4.935 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 6 . 463 . 1 1 4 LEU HD23 H 3.735 5.424 5.409 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 6 . 464 . 1 1 4 LEU HG H 4.482 5.386 2.913 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 6 . 465 . 1 1 4 LEU N N 2.860 3.086 3.070 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 6 . 466 . 1 1 4 LEU O O -0.133 4.404 4.546 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 6 . 467 . 1 1 5 PHE C C -1.518 1.637 2.014 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 6 . 468 . 1 1 5 PHE CA C -1.403 3.066 2.501 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 6 . 469 . 1 1 5 PHE CB C -1.916 4.095 1.469 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 6 . 470 . 1 1 5 PHE CD1 C -4.134 3.610 0.355 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 6 . 471 . 1 1 5 PHE CD2 C -4.098 5.070 2.273 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 6 . 472 . 1 1 5 PHE CE1 C -5.542 3.767 0.256 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 6 . 473 . 1 1 5 PHE CE2 C -5.520 5.250 2.173 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 6 . 474 . 1 1 5 PHE CG C -3.400 4.261 1.389 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 6 . 475 . 1 1 5 PHE CZ C -6.237 4.596 1.153 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 6 . 476 . 1 1 5 PHE H H 0.671 2.781 1.983 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 6 . 477 . 1 1 5 PHE HA H -1.927 3.189 3.449 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 6 . 478 . 1 1 5 PHE HB2 H -1.482 5.068 1.698 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 6 . 479 . 1 1 5 PHE HB3 H -1.580 3.786 0.493 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 6 . 480 . 1 1 5 PHE HD1 H -3.574 2.977 -0.333 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 6 . 481 . 1 1 5 PHE HD2 H -3.528 5.603 3.036 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 6 . 482 . 1 1 5 PHE HE1 H -6.118 3.283 -0.528 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 6 . 483 . 1 1 5 PHE HE2 H -6.062 5.866 2.868 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 6 . 484 . 1 1 5 PHE HZ H -7.309 4.732 1.070 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 6 . 485 . 1 1 5 PHE N N 0.048 3.216 2.701 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 6 . 486 . 1 1 5 PHE O O -0.478 1.026 1.766 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 6 . 487 . 1 1 6 ASP C C -2.213 -0.394 -0.099 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 6 . 488 . 1 1 6 ASP CA C -2.913 -0.233 1.253 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 6 . 489 . 1 1 6 ASP CB C -4.411 -0.500 1.075 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 6 . 490 . 1 1 6 ASP CG C -4.996 -1.353 2.217 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 6 . 491 . 1 1 6 ASP H H -3.544 1.675 2.056 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 6 . 492 . 1 1 6 ASP HA H -2.482 -0.993 1.935 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 6 . 493 . 1 1 6 ASP HB2 H -4.954 0.435 1.030 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 6 . 494 . 1 1 6 ASP HB3 H -4.568 -1.002 0.118 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 6 . 495 . 1 1 6 ASP N N -2.724 1.124 1.831 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 6 . 496 . 1 1 6 ASP O O -2.524 0.297 -1.054 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 6 . 497 . 1 1 6 ASP OD1 O -6.058 -1.976 2.002 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 6 . 498 . 1 1 6 ASP OD2 O -4.401 -1.390 3.297 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 7 . 499 . 1 1 1 GLY C C 1.152 -1.409 0.685 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 7 . 500 . 1 1 1 GLY CA C 0.112 -1.022 -0.319 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 7 . 501 . 1 1 1 GLY H1 H -0.953 -0.258 1.379 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 7 . 502 . 1 1 1 GLY HA2 H -0.254 -1.913 -0.817 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 7 . 503 . 1 1 1 GLY HA3 H 0.548 -0.345 -1.033 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 7 . 504 . 1 1 1 GLY N N -0.982 -0.346 0.332 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 7 . 505 . 1 1 1 GLY O O 0.822 -1.609 1.829 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 7 . 506 . 1 1 2 SER C C 3.991 -0.354 1.794 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 7 . 507 . 1 1 2 SER CA C 3.451 -1.725 1.285 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 7 . 508 . 1 1 2 SER CB C 4.607 -2.526 0.709 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 7 . 509 . 1 1 2 SER H H 2.629 -1.384 -0.693 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 7 . 510 . 1 1 2 SER HA H 3.034 -2.262 2.147 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 7 . 511 . 1 1 2 SER HB2 H 5.386 -1.833 0.432 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 7 . 512 . 1 1 2 SER HB3 H 5.004 -3.227 1.440 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 7 . 513 . 1 1 2 SER HG H 3.622 -3.963 -0.131 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 7 . 514 . 1 1 2 SER N N 2.403 -1.481 0.290 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 7 . 515 . 1 1 2 SER O O 4.041 -0.123 2.998 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 7 . 516 . 1 1 2 SER OG O 4.201 -3.244 -0.421 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 7 . 517 . 1 1 3 PRO C C 3.642 2.746 1.970 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 7 . 518 . 1 1 3 PRO CA C 4.806 1.877 1.466 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 7 . 519 . 1 1 3 PRO CB C 5.459 2.589 0.248 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 7 . 520 . 1 1 3 PRO CD C 4.536 0.620 -0.591 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 7 . 521 . 1 1 3 PRO CG C 5.707 1.474 -0.731 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 7 . 522 . 1 1 3 PRO HA H 5.528 1.686 2.270 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 7 . 523 . 1 1 3 PRO HB2 H 4.764 3.316 -0.203 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 7 . 524 . 1 1 3 PRO HB3 H 6.383 3.050 0.530 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 7 . 525 . 1 1 3 PRO HD2 H 3.633 1.037 -1.089 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 7 . 526 . 1 1 3 PRO HD3 H 4.760 -0.370 -1.006 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 7 . 527 . 1 1 3 PRO HG2 H 5.787 1.850 -1.757 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 7 . 528 . 1 1 3 PRO HG3 H 6.603 0.930 -0.412 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 7 . 529 . 1 1 3 PRO N N 4.401 0.585 0.887 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 7 . 530 . 1 1 3 PRO O O 3.814 3.736 2.645 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 7 . 531 . 1 1 4 LEU C C 0.285 2.272 2.633 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 7 . 532 . 1 1 4 LEU CA C 1.238 3.141 1.837 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 7 . 533 . 1 1 4 LEU CB C 0.539 3.510 0.527 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 7 . 534 . 1 1 4 LEU CD1 C 0.517 4.486 -1.739 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 7 . 535 . 1 1 4 LEU CD2 C 1.805 5.690 0.084 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 7 . 536 . 1 1 4 LEU CG C 1.363 4.323 -0.462 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 7 . 537 . 1 1 4 LEU H H 2.320 1.508 1.009 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 7 . 538 . 1 1 4 LEU HA H 1.510 4.047 2.396 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 7 . 539 . 1 1 4 LEU HB2 H 0.237 2.566 0.022 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 7 . 540 . 1 1 4 LEU HB3 H -0.343 4.086 0.754 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 7 . 541 . 1 1 4 LEU HD11 H -0.326 5.184 -1.566 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 7 . 542 . 1 1 4 LEU HD12 H 0.107 3.514 -2.068 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 7 . 543 . 1 1 4 LEU HD13 H 1.145 4.879 -2.549 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 7 . 544 . 1 1 4 LEU HD21 H 2.484 5.569 0.939 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 7 . 545 . 1 1 4 LEU HD22 H 0.932 6.276 0.393 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 7 . 546 . 1 1 4 LEU HD23 H 2.341 6.246 -0.698 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 7 . 547 . 1 1 4 LEU HG H 2.268 3.741 -0.710 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 7 . 548 . 1 1 4 LEU N N 2.432 2.377 1.559 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 7 . 549 . 1 1 4 LEU O O 0.482 1.081 2.770 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 7 . 550 . 1 1 5 PHE C C -2.562 1.238 2.824 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 7 . 551 . 1 1 5 PHE CA C -1.778 2.084 3.860 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 7 . 552 . 1 1 5 PHE CB C -2.722 3.001 4.640 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 7 . 553 . 1 1 5 PHE CD1 C -4.813 3.417 3.318 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 7 . 554 . 1 1 5 PHE CD2 C -3.136 5.150 3.370 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 7 . 555 . 1 1 5 PHE CE1 C -5.649 4.241 2.507 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 7 . 556 . 1 1 5 PHE CE2 C -3.947 5.965 2.546 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 7 . 557 . 1 1 5 PHE CG C -3.565 3.882 3.761 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 7 . 558 . 1 1 5 PHE CZ C -5.202 5.516 2.118 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 7 . 559 . 1 1 5 PHE H H -0.911 3.843 3.032 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 7 . 560 . 1 1 5 PHE HA H -1.271 1.412 4.584 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 7 . 561 . 1 1 5 PHE HB2 H -3.380 2.372 5.252 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 7 . 562 . 1 1 5 PHE HB3 H -2.161 3.642 5.307 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 7 . 563 . 1 1 5 PHE HD1 H -5.165 2.447 3.614 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 7 . 564 . 1 1 5 PHE HD2 H -2.198 5.507 3.671 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 7 . 565 . 1 1 5 PHE HE1 H -6.616 3.882 2.182 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 7 . 566 . 1 1 5 PHE HE2 H -3.628 6.933 2.235 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 7 . 567 . 1 1 5 PHE HZ H -5.830 6.112 1.482 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 7 . 568 . 1 1 5 PHE N N -0.767 2.861 3.133 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 7 . 569 . 1 1 5 PHE O O -3.247 0.310 3.171 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 7 . 570 . 1 1 6 ASP C C -1.972 0.171 -0.381 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 7 . 571 . 1 1 6 ASP CA C -3.099 0.853 0.460 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 7 . 572 . 1 1 6 ASP CB C -3.863 1.837 -0.418 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 7 . 573 . 1 1 6 ASP CG C -4.722 1.133 -1.478 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 7 . 574 . 1 1 6 ASP H H -1.883 2.402 1.304 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 7 . 575 . 1 1 6 ASP HA H -3.778 0.096 0.886 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 7 . 576 . 1 1 6 ASP HB2 H -4.515 2.467 0.189 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 7 . 577 . 1 1 6 ASP HB3 H -3.133 2.491 -0.943 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 7 . 578 . 1 1 6 ASP N N -2.452 1.575 1.553 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 7 . 579 . 1 1 6 ASP O O -1.953 0.146 -1.612 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 7 . 580 . 1 1 6 ASP OD1 O -4.944 -0.100 -1.396 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 7 . 581 . 1 1 6 ASP OD2 O -5.182 1.861 -2.377 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 8 . 582 . 1 1 1 GLY C C 0.720 -0.973 -1.503 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 8 . 583 . 1 1 1 GLY CA C -0.587 -1.718 -1.405 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 8 . 584 . 1 1 1 GLY H1 H -1.244 -2.098 0.594 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 8 . 585 . 1 1 1 GLY HA2 H -0.384 -2.796 -1.495 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 8 . 586 . 1 1 1 GLY HA3 H -1.167 -1.411 -2.264 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 8 . 587 . 1 1 1 GLY N N -1.337 -1.461 -0.188 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 8 . 588 . 1 1 1 GLY O O 1.410 -1.004 -2.500 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 8 . 589 . 1 1 2 SER C C 2.730 0.558 1.149 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 8 . 590 . 1 1 2 SER CA C 2.248 0.535 -0.311 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 8 . 591 . 1 1 2 SER CB C 1.920 1.977 -0.729 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 8 . 592 . 1 1 2 SER H H 0.412 -0.272 0.397 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 8 . 593 . 1 1 2 SER HA H 3.034 0.125 -0.972 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 8 . 594 . 1 1 2 SER HB2 H 1.163 2.390 -0.052 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 8 . 595 . 1 1 2 SER HB3 H 2.812 2.573 -0.669 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 8 . 596 . 1 1 2 SER HG H 0.625 1.501 -2.129 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 8 . 597 . 1 1 2 SER N N 1.045 -0.278 -0.419 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 8 . 598 . 1 1 2 SER O O 2.038 0.073 2.024 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 8 . 599 . 1 1 2 SER OG O 1.448 2.044 -2.065 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 8 . 600 . 1 1 3 PRO C C 3.349 2.080 3.723 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 8 . 601 . 1 1 3 PRO CA C 4.215 1.139 2.874 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 8 . 602 . 1 1 3 PRO CB C 5.702 1.550 2.897 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 8 . 603 . 1 1 3 PRO CD C 5.014 1.705 0.630 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 8 . 604 . 1 1 3 PRO CG C 5.855 2.400 1.686 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 8 . 605 . 1 1 3 PRO HA H 4.110 0.125 3.248 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 8 . 606 . 1 1 3 PRO HB2 H 5.925 2.109 3.795 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 8 . 607 . 1 1 3 PRO HB3 H 6.341 0.680 2.808 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 8 . 608 . 1 1 3 PRO HD2 H 4.658 2.426 -0.111 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 8 . 609 . 1 1 3 PRO HD3 H 5.580 0.909 0.162 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 8 . 610 . 1 1 3 PRO HG2 H 5.476 3.393 1.864 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 8 . 611 . 1 1 3 PRO HG3 H 6.905 2.419 1.365 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 8 . 612 . 1 1 3 PRO N N 3.914 1.124 1.434 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 8 . 613 . 1 1 3 PRO O O 3.197 1.857 4.929 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 8 . 614 . 1 1 4 LEU C C 0.507 3.886 3.841 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 8 . 615 . 1 1 4 LEU CA C 2.042 4.131 3.888 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 8 . 616 . 1 1 4 LEU CB C 2.252 5.524 3.284 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 8 . 617 . 1 1 4 LEU CD1 C 4.838 5.769 3.648 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 8 . 618 . 1 1 4 LEU CD2 C 3.340 7.708 3.173 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 8 . 619 . 1 1 4 LEU CG C 3.403 6.385 3.819 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 8 . 620 . 1 1 4 LEU H H 2.929 3.278 2.131 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 8 . 621 . 1 1 4 LEU HA H 2.403 4.124 4.914 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 8 . 622 . 1 1 4 LEU HB2 H 2.390 5.413 2.202 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 8 . 623 . 1 1 4 LEU HB3 H 1.330 6.092 3.433 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 8 . 624 . 1 1 4 LEU HD11 H 5.584 6.481 4.002 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 8 . 625 . 1 1 4 LEU HD12 H 5.040 5.544 2.599 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 8 . 626 . 1 1 4 LEU HD13 H 4.909 4.855 4.234 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 8 . 627 . 1 1 4 LEU HD21 H 2.317 8.132 3.285 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 8 . 628 . 1 1 4 LEU HD22 H 3.565 7.638 2.121 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 8 . 629 . 1 1 4 LEU HD23 H 4.043 8.384 3.656 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 8 . 630 . 1 1 4 LEU HG H 3.237 6.548 4.887 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 8 . 631 . 1 1 4 LEU N N 2.815 3.148 3.114 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 8 . 632 . 1 1 4 LEU O O -0.221 4.199 4.748 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 8 . 633 . 1 1 5 PHE C C -1.448 1.712 1.936 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 8 . 634 . 1 1 5 PHE CA C -1.405 3.076 2.523 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 8 . 635 . 1 1 5 PHE CB C -2.045 4.084 1.541 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 8 . 636 . 1 1 5 PHE CD1 C -3.107 5.864 2.980 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 8 . 637 . 1 1 5 PHE CD2 C -1.148 6.435 1.670 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 8 . 638 . 1 1 5 PHE CE1 C -3.153 7.194 3.497 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 8 . 639 . 1 1 5 PHE CE2 C -1.185 7.754 2.185 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 8 . 640 . 1 1 5 PHE CG C -2.106 5.485 2.072 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 8 . 641 . 1 1 5 PHE CZ C -2.192 8.147 3.086 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 8 . 642 . 1 1 5 PHE H H 0.644 3.014 2.002 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 8 . 643 . 1 1 5 PHE HA H -1.948 3.095 3.470 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 8 . 644 . 1 1 5 PHE HB2 H -1.499 4.073 0.608 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 8 . 645 . 1 1 5 PHE HB3 H -3.065 3.753 1.318 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 8 . 646 . 1 1 5 PHE HD1 H -3.855 5.134 3.291 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 8 . 647 . 1 1 5 PHE HD2 H -0.361 6.201 0.982 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 8 . 648 . 1 1 5 PHE HE1 H -3.918 7.455 4.196 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 8 . 649 . 1 1 5 PHE HE2 H -0.455 8.453 1.862 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 8 . 650 . 1 1 5 PHE HZ H -2.242 9.135 3.460 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 8 . 651 . 1 1 5 PHE N N 0.019 3.338 2.738 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 8 . 652 . 1 1 5 PHE O O -0.427 1.176 1.614 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 8 . 653 . 1 1 6 ASP C C -2.120 -0.409 -0.086 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 8 . 654 . 1 1 6 ASP CA C -2.773 -0.239 1.309 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 8 . 655 . 1 1 6 ASP CB C -4.281 -0.629 1.245 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 8 . 656 . 1 1 6 ASP CG C -5.062 0.189 0.190 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 8 . 657 . 1 1 6 ASP H H -3.438 1.628 2.068 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 8 . 658 . 1 1 6 ASP HA H -2.262 -0.909 2.013 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 8 . 659 . 1 1 6 ASP HB2 H -4.370 -1.695 0.997 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 8 . 660 . 1 1 6 ASP HB3 H -4.715 -0.467 2.234 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 8 . 661 . 1 1 6 ASP N N -2.618 1.138 1.812 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 8 . 662 . 1 1 6 ASP O O -2.292 0.380 -1.006 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 8 . 663 . 1 1 6 ASP OD1 O -5.163 1.421 0.343 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 8 . 664 . 1 1 6 ASP OD2 O -5.553 -0.435 -0.771 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 9 . 665 . 1 1 1 GLY C C 0.997 -1.148 -0.526 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 9 . 666 . 1 1 1 GLY CA C -0.320 -1.858 -0.333 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 9 . 667 . 1 1 1 GLY H1 H -1.475 -1.165 1.366 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 9 . 668 . 1 1 1 GLY HA2 H -0.132 -2.763 0.242 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 9 . 669 . 1 1 1 GLY HA3 H -0.675 -2.161 -1.322 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 9 . 670 . 1 1 1 GLY N N -1.373 -1.079 0.328 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 9 . 671 . 1 1 1 GLY O O 2.060 -1.774 -0.677 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 9 . 672 . 1 1 2 SER C C 2.763 0.959 0.835 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 9 . 673 . 1 1 2 SER CA C 2.121 0.986 -0.566 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 9 . 674 . 1 1 2 SER CB C 1.707 2.387 -1.006 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 9 . 675 . 1 1 2 SER H H 0.041 0.634 -0.399 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 9 . 676 . 1 1 2 SER HA H 2.819 0.562 -1.311 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 9 . 677 . 1 1 2 SER HB2 H 1.006 2.813 -0.256 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 9 . 678 . 1 1 2 SER HB3 H 2.568 3.021 -1.094 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 9 . 679 . 1 1 2 SER HG H 0.130 2.737 -2.118 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 9 . 680 . 1 1 2 SER N N 0.934 0.169 -0.490 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 9 . 681 . 1 1 2 SER O O 2.114 0.512 1.773 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 9 . 682 . 1 1 2 SER OG O 0.993 2.306 -2.228 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 9 . 683 . 1 1 3 PRO C C 3.821 2.215 3.410 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 9 . 684 . 1 1 3 PRO CA C 4.610 1.432 2.349 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 9 . 685 . 1 1 3 PRO CB C 5.970 2.105 2.140 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 9 . 686 . 1 1 3 PRO CD C 4.954 1.985 0.018 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 9 . 687 . 1 1 3 PRO CG C 6.279 1.853 0.698 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 9 . 688 . 1 1 3 PRO HA H 4.739 0.414 2.708 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 9 . 689 . 1 1 3 PRO HB2 H 5.854 3.181 2.342 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 9 . 690 . 1 1 3 PRO HB3 H 6.767 1.665 2.752 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 9 . 691 . 1 1 3 PRO HD2 H 4.721 3.044 -0.167 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 9 . 692 . 1 1 3 PRO HD3 H 4.955 1.385 -0.900 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 9 . 693 . 1 1 3 PRO HG2 H 6.982 2.604 0.329 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 9 . 694 . 1 1 3 PRO HG3 H 6.679 0.841 0.544 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 9 . 695 . 1 1 3 PRO N N 4.007 1.425 0.998 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 9 . 696 . 1 1 3 PRO O O 3.990 1.971 4.599 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 9 . 697 . 1 1 4 LEU C C 0.755 3.217 4.025 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 9 . 698 . 1 1 4 LEU CA C 2.135 3.890 3.899 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 9 . 699 . 1 1 4 LEU CB C 1.958 5.344 3.473 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 9 . 700 . 1 1 4 LEU CD1 C 1.623 6.106 5.849 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 9 . 701 . 1 1 4 LEU CD2 C 0.975 7.638 3.947 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 9 . 702 . 1 1 4 LEU CG C 1.065 6.169 4.421 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 9 . 703 . 1 1 4 LEU H H 2.892 3.306 1.969 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 9 . 704 . 1 1 4 LEU HA H 2.619 3.887 4.888 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 9 . 705 . 1 1 4 LEU HB2 H 2.937 5.831 3.409 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 9 . 706 . 1 1 4 LEU HB3 H 1.495 5.357 2.481 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 9 . 707 . 1 1 4 LEU HD11 H 1.170 6.901 6.459 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 9 . 708 . 1 1 4 LEU HD12 H 2.698 6.218 5.829 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 9 . 709 . 1 1 4 LEU HD13 H 1.362 5.135 6.291 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 9 . 710 . 1 1 4 LEU HD21 H 0.385 8.210 4.663 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 9 . 711 . 1 1 4 LEU HD22 H 0.502 7.688 2.970 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 9 . 712 . 1 1 4 LEU HD23 H 1.982 8.073 3.908 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 9 . 713 . 1 1 4 LEU HG H 0.078 5.743 4.422 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 9 . 714 . 1 1 4 LEU N N 2.983 3.141 2.968 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 9 . 715 . 1 1 4 LEU O O 0.361 2.832 5.121 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 9 . 716 . 1 1 5 PHE C C -1.694 1.907 1.590 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 9 . 717 . 1 1 5 PHE CA C -1.322 2.516 2.924 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 9 . 718 . 1 1 5 PHE CB C -2.361 3.600 3.304 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 9 . 719 . 1 1 5 PHE CD1 C -3.899 4.603 1.524 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 9 . 720 . 1 1 5 PHE CD2 C -1.667 5.525 1.779 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 9 . 721 . 1 1 5 PHE CE1 C -4.173 5.562 0.506 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 9 . 722 . 1 1 5 PHE CE2 C -1.936 6.445 0.733 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 9 . 723 . 1 1 5 PHE CG C -2.648 4.604 2.179 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 9 . 724 . 1 1 5 PHE CZ C -3.180 6.469 0.103 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 9 . 725 . 1 1 5 PHE H H 0.385 3.365 2.057 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 9 . 726 . 1 1 5 PHE HA H -1.348 1.731 3.679 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 9 . 727 . 1 1 5 PHE HB2 H -3.285 3.120 3.564 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 9 . 728 . 1 1 5 PHE HB3 H -2.006 4.129 4.200 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 9 . 729 . 1 1 5 PHE HD1 H -4.648 3.903 1.797 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 9 . 730 . 1 1 5 PHE HD2 H -0.714 5.540 2.276 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 9 . 731 . 1 1 5 PHE HE1 H -5.150 5.596 0.018 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 9 . 732 . 1 1 5 PHE HE2 H -1.166 7.132 0.438 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 9 . 733 . 1 1 5 PHE HZ H -3.377 7.176 -0.687 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 9 . 734 . 1 1 5 PHE N N 0.040 3.081 2.906 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 9 . 735 . 1 1 5 PHE O O -1.065 2.195 0.596 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 9 . 736 . 1 1 6 ASP C C -2.209 -0.325 -0.398 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 9 . 737 . 1 1 6 ASP CA C -3.265 0.430 0.390 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 9 . 738 . 1 1 6 ASP CB C -3.945 1.466 -0.542 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 9 . 739 . 1 1 6 ASP CG C -5.290 1.926 0.003 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 9 . 740 . 1 1 6 ASP H H -3.243 0.897 2.466 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 9 . 741 . 1 1 6 ASP HA H -4.016 -0.307 0.703 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 9 . 742 . 1 1 6 ASP HB2 H -3.277 2.318 -0.696 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 9 . 743 . 1 1 6 ASP HB3 H -4.135 1.005 -1.513 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 9 . 744 . 1 1 6 ASP N N -2.735 1.084 1.598 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 9 . 745 . 1 1 6 ASP O O -2.141 -0.202 -1.649 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 9 . 746 . 1 1 6 ASP OD1 O -5.849 2.886 -0.534 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 9 . 747 . 1 1 6 ASP OD2 O -5.781 1.300 0.964 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 10 . 748 . 1 1 1 GLY C C 0.930 -1.104 -1.059 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 10 . 749 . 1 1 1 GLY CA C -0.349 -1.887 -0.870 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 10 . 750 . 1 1 1 GLY H1 H -1.171 -1.597 1.061 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 10 . 751 . 1 1 1 GLY HA2 H -0.100 -2.899 -0.534 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 10 . 752 . 1 1 1 GLY HA3 H -0.873 -1.954 -1.818 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 10 . 753 . 1 1 1 GLY N N -1.237 -1.284 0.087 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 10 . 754 . 1 1 1 GLY O O 1.871 -1.659 -1.552 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 10 . 755 . 1 1 2 SER C C 2.582 0.869 0.861 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 10 . 756 . 1 1 2 SER CA C 2.158 0.928 -0.618 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 10 . 757 . 1 1 2 SER CB C 1.847 2.366 -1.037 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 10 . 758 . 1 1 2 SER H H 0.099 0.563 -0.260 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 10 . 759 . 1 1 2 SER HA H 2.911 0.474 -1.272 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 10 . 760 . 1 1 2 SER HB2 H 1.236 2.296 -1.931 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 10 . 761 . 1 1 2 SER HB3 H 1.250 2.889 -0.267 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 10 . 762 . 1 1 2 SER HG H 2.954 3.538 -2.166 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 10 . 763 . 1 1 2 SER N N 0.964 0.123 -0.607 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 10 . 764 . 1 1 2 SER O O 1.760 0.578 1.716 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 10 . 765 . 1 1 2 SER OG O 3.003 3.140 -1.286 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 10 . 766 . 1 1 3 PRO C C 3.456 1.963 3.579 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 10 . 767 . 1 1 3 PRO CA C 4.233 1.070 2.620 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 10 . 768 . 1 1 3 PRO CB C 5.704 1.502 2.590 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 10 . 769 . 1 1 3 PRO CD C 5.008 1.475 0.352 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 10 . 770 . 1 1 3 PRO CG C 6.198 1.213 1.237 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 10 . 771 . 1 1 3 PRO HA H 4.132 0.037 2.965 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 10 . 772 . 1 1 3 PRO HB2 H 5.758 2.562 2.794 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 10 . 773 . 1 1 3 PRO HB3 H 6.290 0.966 3.333 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 10 . 774 . 1 1 3 PRO HD2 H 4.970 2.507 0.044 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 10 . 775 . 1 1 3 PRO HD3 H 5.062 0.814 -0.524 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 10 . 776 . 1 1 3 PRO HG2 H 7.033 1.876 0.981 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 10 . 777 . 1 1 3 PRO HG3 H 6.528 0.178 1.172 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 10 . 778 . 1 1 3 PRO N N 3.861 1.134 1.208 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 10 . 779 . 1 1 3 PRO O O 3.404 1.682 4.757 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 10 . 780 . 1 1 4 LEU C C 0.631 3.554 4.001 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 10 . 781 . 1 1 4 LEU CA C 2.100 3.958 3.895 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 10 . 782 . 1 1 4 LEU CB C 2.187 5.386 3.346 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 10 . 783 . 1 1 4 LEU CD1 C 3.406 7.424 2.597 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 10 . 784 . 1 1 4 LEU CD2 C 4.277 6.225 4.591 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 10 . 785 . 1 1 4 LEU CG C 3.558 6.087 3.206 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 10 . 786 . 1 1 4 LEU H H 2.929 3.238 2.054 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 10 . 787 . 1 1 4 LEU HA H 2.550 3.926 4.893 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 10 . 788 . 1 1 4 LEU HB2 H 1.739 5.378 2.350 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 10 . 789 . 1 1 4 LEU HB3 H 1.565 6.019 3.965 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 10 . 790 . 1 1 4 LEU HD11 H 4.404 7.842 2.431 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 10 . 791 . 1 1 4 LEU HD12 H 2.828 8.083 3.280 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 10 . 792 . 1 1 4 LEU HD13 H 2.885 7.335 1.608 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 10 . 793 . 1 1 4 LEU HD21 H 3.567 6.596 5.334 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 10 . 794 . 1 1 4 LEU HD22 H 5.126 6.914 4.500 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 10 . 795 . 1 1 4 LEU HD23 H 4.624 5.262 4.891 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 10 . 796 . 1 1 4 LEU HG H 4.196 5.485 2.540 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 10 . 797 . 1 1 4 LEU N N 2.866 3.050 3.060 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 10 . 798 . 1 1 4 LEU O O 0.073 3.517 5.104 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 10 . 799 . 1 1 5 PHE C C -1.627 1.986 1.603 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 10 . 800 . 1 1 5 PHE CA C -1.409 2.936 2.763 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 10 . 801 . 1 1 5 PHE CB C -2.245 4.190 2.492 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 10 . 802 . 1 1 5 PHE CD1 C -1.427 6.378 3.509 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 10 . 803 . 1 1 5 PHE CD2 C -2.972 5.004 4.790 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 10 . 804 . 1 1 5 PHE CE1 C -1.386 7.303 4.536 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 10 . 805 . 1 1 5 PHE CE2 C -2.931 5.969 5.836 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 10 . 806 . 1 1 5 PHE CG C -2.213 5.210 3.611 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 10 . 807 . 1 1 5 PHE CZ C -2.145 7.111 5.707 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 10 . 808 . 1 1 5 PHE H H 0.502 3.310 1.973 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 10 . 809 . 1 1 5 PHE HA H -1.745 2.475 3.695 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 10 . 810 . 1 1 5 PHE HB2 H -1.889 4.654 1.562 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 10 . 811 . 1 1 5 PHE HB3 H -3.269 3.868 2.362 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 10 . 812 . 1 1 5 PHE HD1 H -0.850 6.563 2.634 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 10 . 813 . 1 1 5 PHE HD2 H -3.572 4.103 4.892 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 10 . 814 . 1 1 5 PHE HE1 H -0.754 8.170 4.443 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 10 . 815 . 1 1 5 PHE HE2 H -3.531 5.825 6.715 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 10 . 816 . 1 1 5 PHE HZ H -2.120 7.845 6.503 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 10 . 817 . 1 1 5 PHE N N 0.011 3.280 2.847 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 10 . 818 . 1 1 5 PHE O O -0.947 2.073 0.586 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 10 . 819 . 1 1 6 ASP C C -2.128 -0.378 -0.282 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 10 . 820 . 1 1 6 ASP CA C -3.069 0.087 0.841 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 10 . 821 . 1 1 6 ASP CB C -4.475 0.384 0.271 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 10 . 822 . 1 1 6 ASP CG C -4.552 1.664 -0.528 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 10 . 823 . 1 1 6 ASP H H -3.084 1.128 2.670 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 10 . 824 . 1 1 6 ASP HA H -3.204 -0.791 1.444 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 10 . 825 . 1 1 6 ASP HB2 H -4.802 -0.447 -0.365 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 10 . 826 . 1 1 6 ASP HB3 H -5.176 0.449 1.101 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 10 . 827 . 1 1 6 ASP N N -2.614 1.102 1.796 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 10 . 828 . 1 1 6 ASP O O -2.213 0.064 -1.451 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 10 . 829 . 1 1 6 ASP OD1 O -4.204 2.717 0.041 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 10 . 830 . 1 1 6 ASP OD2 O -4.971 1.616 -1.673 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 11 . 831 . 1 1 1 GLY C C 1.109 -1.225 0.271 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 11 . 832 . 1 1 1 GLY CA C -0.050 -0.994 -0.692 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 11 . 833 . 1 1 1 GLY H1 H -0.812 0.294 0.803 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 11 . 834 . 1 1 1 GLY HA2 H -0.388 -1.977 -1.039 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 11 . 835 . 1 1 1 GLY HA3 H 0.240 -0.347 -1.539 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 11 . 836 . 1 1 1 GLY N N -1.077 -0.316 0.031 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 11 . 837 . 1 1 1 GLY O O 0.916 -1.103 1.482 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 11 . 838 . 1 1 2 SER C C 3.922 -0.493 1.360 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 11 . 839 . 1 1 2 SER CA C 3.499 -1.790 0.605 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 11 . 840 . 1 1 2 SER CB C 4.660 -2.324 -0.269 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 11 . 841 . 1 1 2 SER H H 2.405 -1.635 -1.250 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 11 . 842 . 1 1 2 SER HA H 3.249 -2.547 1.352 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 11 . 843 . 1 1 2 SER HB2 H 4.361 -3.303 -0.681 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 11 . 844 . 1 1 2 SER HB3 H 4.868 -1.645 -1.078 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 11 . 845 . 1 1 2 SER HG H 5.645 -3.125 1.229 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 11 . 846 . 1 1 2 SER N N 2.294 -1.557 -0.237 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 11 . 847 . 1 1 2 SER O O 3.958 -0.520 2.585 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 11 . 848 . 1 1 2 SER OG O 5.844 -2.521 0.493 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 11 . 849 . 1 1 3 PRO C C 3.156 2.464 1.952 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 11 . 850 . 1 1 3 PRO CA C 4.464 1.785 1.511 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 11 . 851 . 1 1 3 PRO CB C 5.279 2.726 0.636 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 11 . 852 . 1 1 3 PRO CD C 4.420 1.005 -0.785 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 11 . 853 . 1 1 3 PRO CG C 4.736 2.480 -0.726 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 11 . 854 . 1 1 3 PRO HA H 5.084 1.490 2.377 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 11 . 855 . 1 1 3 PRO HB2 H 5.141 3.743 0.927 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 11 . 856 . 1 1 3 PRO HB3 H 6.338 2.448 0.681 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 11 . 857 . 1 1 3 PRO HD2 H 3.483 0.842 -1.321 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 11 . 858 . 1 1 3 PRO HD3 H 5.221 0.449 -1.248 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 11 . 859 . 1 1 3 PRO HG2 H 3.824 3.089 -0.844 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 11 . 860 . 1 1 3 PRO HG3 H 5.428 2.746 -1.495 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 11 . 861 . 1 1 3 PRO N N 4.253 0.612 0.638 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 11 . 862 . 1 1 3 PRO O O 2.179 2.441 1.189 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 11 . 863 . 1 1 4 LEU C C 0.711 2.971 3.761 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 11 . 864 . 1 1 4 LEU CA C 1.964 3.805 3.623 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 11 . 865 . 1 1 4 LEU CB C 1.721 5.083 2.791 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 11 . 866 . 1 1 4 LEU CD1 C 2.407 7.346 1.778 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 11 . 867 . 1 1 4 LEU CD2 C 3.174 6.695 4.109 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 11 . 868 . 1 1 4 LEU CG C 2.857 6.141 2.721 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 11 . 869 . 1 1 4 LEU H H 3.949 3.043 3.713 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 11 . 870 . 1 1 4 LEU HA H 2.200 4.134 4.620 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 11 . 871 . 1 1 4 LEU HB2 H 1.494 4.769 1.769 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 11 . 872 . 1 1 4 LEU HB3 H 0.835 5.578 3.193 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 11 . 873 . 1 1 4 LEU HD11 H 1.522 7.807 2.152 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 11 . 874 . 1 1 4 LEU HD12 H 2.213 6.985 0.766 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 11 . 875 . 1 1 4 LEU HD13 H 3.186 8.105 1.741 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 11 . 876 . 1 1 4 LEU HD21 H 3.834 7.573 4.004 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 11 . 877 . 1 1 4 LEU HD22 H 3.657 5.939 4.719 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 11 . 878 . 1 1 4 LEU HD23 H 2.238 7.007 4.600 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 11 . 879 . 1 1 4 LEU HG H 3.761 5.670 2.291 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 11 . 880 . 1 1 4 LEU N N 3.135 3.063 3.134 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 11 . 881 . 1 1 4 LEU O O 0.627 2.130 4.670 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 11 . 882 . 1 1 5 PHE C C -1.977 2.015 1.717 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 11 . 883 . 1 1 5 PHE CA C -1.589 2.625 3.064 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 11 . 884 . 1 1 5 PHE CB C -2.608 3.655 3.561 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 11 . 885 . 1 1 5 PHE CD1 C -1.754 5.649 4.808 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 11 . 886 . 1 1 5 PHE CD2 C -2.299 3.662 6.056 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 11 . 887 . 1 1 5 PHE CE1 C -1.383 6.335 6.014 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 11 . 888 . 1 1 5 PHE CE2 C -1.913 4.315 7.289 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 11 . 889 . 1 1 5 PHE CG C -2.213 4.341 4.833 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 11 . 890 . 1 1 5 PHE CZ C -1.459 5.648 7.262 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 11 . 891 . 1 1 5 PHE H H -0.130 3.894 2.171 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 11 . 892 . 1 1 5 PHE HA H -1.556 1.808 3.795 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 11 . 893 . 1 1 5 PHE HB2 H -2.750 4.407 2.777 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 11 . 894 . 1 1 5 PHE HB3 H -3.568 3.158 3.749 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 11 . 895 . 1 1 5 PHE HD1 H -1.686 6.182 3.873 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 11 . 896 . 1 1 5 PHE HD2 H -2.664 2.630 6.079 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 11 . 897 . 1 1 5 PHE HE1 H -1.043 7.371 5.972 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 11 . 898 . 1 1 5 PHE HE2 H -1.985 3.825 8.221 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 11 . 899 . 1 1 5 PHE HZ H -1.139 6.144 8.212 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 11 . 900 . 1 1 5 PHE N N -0.276 3.238 2.941 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 11 . 901 . 1 1 5 PHE O O -1.414 2.360 0.695 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 11 . 902 . 1 1 6 ASP C C -2.359 -0.478 -0.256 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 11 . 903 . 1 1 6 ASP CA C -3.408 0.258 0.631 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 11 . 904 . 1 1 6 ASP CB C -4.453 1.018 -0.215 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 11 . 905 . 1 1 6 ASP CG C -3.849 2.041 -1.158 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 11 . 906 . 1 1 6 ASP H H -3.310 0.862 2.688 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 11 . 907 . 1 1 6 ASP HA H -3.988 -0.553 1.092 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 11 . 908 . 1 1 6 ASP HB2 H -5.025 0.270 -0.780 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 11 . 909 . 1 1 6 ASP HB3 H -5.147 1.558 0.468 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 11 . 910 . 1 1 6 ASP N N -2.903 1.067 1.772 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 11 . 911 . 1 1 6 ASP O O -2.698 -1.197 -1.165 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 11 . 912 . 1 1 6 ASP OD1 O -3.905 3.260 -0.827 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 11 . 913 . 1 1 6 ASP OD2 O -3.347 1.645 -2.227 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 12 . 914 . 1 1 1 GLY C C 0.872 -1.160 -1.218 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 12 . 915 . 1 1 1 GLY CA C -0.490 -1.816 -1.186 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 12 . 916 . 1 1 1 GLY H1 H -2.154 -0.442 -1.252 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 12 . 917 . 1 1 1 GLY HA2 H -0.446 -2.716 -0.606 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 12 . 918 . 1 1 1 GLY HA3 H -0.751 -2.084 -2.241 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 12 . 919 . 1 1 1 GLY N N -1.545 -0.945 -0.645 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 12 . 920 . 1 1 1 GLY O O 1.882 -1.855 -1.376 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 12 . 921 . 1 1 2 SER C C 2.516 1.059 0.503 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 12 . 922 . 1 1 2 SER CA C 2.119 0.933 -0.972 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 12 . 923 . 1 1 2 SER CB C 1.903 2.329 -1.544 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 12 . 924 . 1 1 2 SER H H 0.015 0.672 -0.911 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 12 . 925 . 1 1 2 SER HA H 2.889 0.412 -1.523 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 12 . 926 . 1 1 2 SER HB2 H 1.104 2.818 -0.964 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 12 . 927 . 1 1 2 SER HB3 H 2.811 2.938 -1.465 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 12 . 928 . 1 1 2 SER HG H 1.208 3.171 -3.151 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 12 . 929 . 1 1 2 SER N N 0.880 0.165 -1.035 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 12 . 930 . 1 1 2 SER O O 1.677 0.870 1.360 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 12 . 931 . 1 1 2 SER OG O 1.489 2.290 -2.905 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 12 . 932 . 1 1 3 PRO C C 3.052 2.674 2.864 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 12 . 933 . 1 1 3 PRO CA C 3.967 1.588 2.269 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 12 . 934 . 1 1 3 PRO CB C 5.430 1.956 2.424 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 12 . 935 . 1 1 3 PRO CD C 5.034 1.703 0.105 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 12 . 936 . 1 1 3 PRO CG C 5.801 2.567 1.092 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 12 . 937 . 1 1 3 PRO HA H 3.776 0.639 2.763 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 12 . 938 . 1 1 3 PRO HB2 H 5.560 2.688 3.241 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 12 . 939 . 1 1 3 PRO HB3 H 6.004 1.049 2.604 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 12 . 940 . 1 1 3 PRO HD2 H 4.844 2.223 -0.843 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 12 . 941 . 1 1 3 PRO HD3 H 5.598 0.797 -0.114 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 12 . 942 . 1 1 3 PRO HG2 H 5.483 3.604 1.049 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 12 . 943 . 1 1 3 PRO HG3 H 6.889 2.489 0.907 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 12 . 944 . 1 1 3 PRO N N 3.786 1.430 0.823 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 12 . 945 . 1 1 3 PRO O O 2.935 3.773 2.316 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 12 . 946 . 1 1 4 LEU C C 0.272 3.583 3.943 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 12 . 947 . 1 1 4 LEU CA C 1.487 3.103 4.738 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 12 . 948 . 1 1 4 LEU CB C 2.201 4.333 5.309 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 12 . 949 . 1 1 4 LEU CD1 C 4.226 5.480 6.147 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 12 . 950 . 1 1 4 LEU CD2 C 3.525 3.392 7.342 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 12 . 951 . 1 1 4 LEU CG C 3.571 4.107 5.992 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 12 . 952 . 1 1 4 LEU H H 2.571 1.314 4.312 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 12 . 953 . 1 1 4 LEU HA H 1.115 2.510 5.590 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 12 . 954 . 1 1 4 LEU HB2 H 2.340 5.063 4.498 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 12 . 955 . 1 1 4 LEU HB3 H 1.557 4.786 6.064 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 12 . 956 . 1 1 4 LEU HD11 H 5.269 5.350 6.418 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 12 . 957 . 1 1 4 LEU HD12 H 3.727 6.051 6.916 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 12 . 958 . 1 1 4 LEU HD13 H 4.169 6.023 5.206 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 12 . 959 . 1 1 4 LEU HD21 H 2.981 4.004 8.055 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 12 . 960 . 1 1 4 LEU HD22 H 4.545 3.235 7.702 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 12 . 961 . 1 1 4 LEU HD23 H 3.025 2.428 7.238 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 12 . 962 . 1 1 4 LEU HG H 4.178 3.513 5.326 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 12 . 963 . 1 1 4 LEU N N 2.408 2.283 3.967 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 12 . 964 . 1 1 4 LEU O O -0.445 4.460 4.400 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 12 . 965 . 1 1 5 PHE C C -1.498 2.174 1.179 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 12 . 966 . 1 1 5 PHE CA C -1.052 3.405 1.964 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 12 . 967 . 1 1 5 PHE CB C -0.694 4.605 1.022 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 12 . 968 . 1 1 5 PHE CD1 C -2.687 6.192 0.988 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 12 . 969 . 1 1 5 PHE CD2 C -2.264 4.798 -0.951 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 12 . 970 . 1 1 5 PHE CE1 C -3.839 6.737 0.342 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 12 . 971 . 1 1 5 PHE CE2 C -3.383 5.345 -1.602 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 12 . 972 . 1 1 5 PHE CG C -1.887 5.209 0.329 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 12 . 973 . 1 1 5 PHE CZ C -4.179 6.322 -0.938 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 12 . 974 . 1 1 5 PHE H H 0.693 2.361 2.447 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 12 . 975 . 1 1 5 PHE HA H -1.873 3.716 2.604 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 12 . 976 . 1 1 5 PHE HB2 H -0.204 5.381 1.594 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 12 . 977 . 1 1 5 PHE HB3 H 0.040 4.284 0.280 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 12 . 978 . 1 1 5 PHE HD1 H -2.433 6.501 1.968 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 12 . 979 . 1 1 5 PHE HD2 H -1.659 4.040 -1.426 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 12 . 980 . 1 1 5 PHE HE1 H -4.458 7.476 0.820 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 12 . 981 . 1 1 5 PHE HE2 H -3.678 5.031 -2.585 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 12 . 982 . 1 1 5 PHE HZ H -5.022 6.699 -1.467 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 12 . 983 . 1 1 5 PHE N N 0.062 3.042 2.793 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 12 . 984 . 1 1 5 PHE O O -1.089 1.993 0.034 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 12 . 985 . 1 1 6 ASP C C -1.707 -0.819 0.678 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 12 . 986 . 1 1 6 ASP CA C -2.825 0.087 1.208 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 12 . 987 . 1 1 6 ASP CB C -3.784 0.470 0.078 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 12 . 988 . 1 1 6 ASP CG C -4.934 1.295 0.577 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 12 . 989 . 1 1 6 ASP H H -2.578 1.523 2.806 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 12 . 990 . 1 1 6 ASP HA H -3.386 -0.471 1.952 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 12 . 991 . 1 1 6 ASP HB2 H -3.232 1.043 -0.675 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 12 . 992 . 1 1 6 ASP HB3 H -4.152 -0.449 -0.363 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 12 . 993 . 1 1 6 ASP N N -2.299 1.325 1.829 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 12 . 994 . 1 1 6 ASP O O -0.966 -1.450 1.488 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 12 . 995 . 1 1 6 ASP OD1 O -5.492 0.883 1.612 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 12 . 996 . 1 1 6 ASP OD2 O -5.298 2.322 -0.057 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 13 . 997 . 1 1 1 GLY C C 0.986 -1.118 -0.696 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 13 . 998 . 1 1 1 GLY CA C -0.316 -1.888 -0.722 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 13 . 999 . 1 1 1 GLY H1 H -1.432 -1.673 1.104 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 13 . 1000 . 1 1 1 GLY HA2 H -0.106 -2.927 -0.393 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 13 . 1001 . 1 1 1 GLY HA3 H -0.715 -1.931 -1.748 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 13 . 1002 . 1 1 1 GLY N N -1.324 -1.298 0.162 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 13 . 1003 . 1 1 1 GLY O O 2.024 -1.723 -0.650 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 13 . 1004 . 1 1 2 SER C C 2.660 0.898 0.845 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 13 . 1005 . 1 1 2 SER CA C 2.168 1.002 -0.617 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 13 . 1006 . 1 1 2 SER CB C 1.910 2.455 -0.967 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 13 . 1007 . 1 1 2 SER H H 0.036 0.683 -0.750 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 13 . 1008 . 1 1 2 SER HA H 2.911 0.595 -1.290 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 13 . 1009 . 1 1 2 SER HB2 H 2.856 2.944 -1.168 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 13 . 1010 . 1 1 2 SER HB3 H 1.285 2.561 -1.871 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 13 . 1011 . 1 1 2 SER HG H 0.311 2.856 0.088 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 13 . 1012 . 1 1 2 SER N N 0.945 0.212 -0.722 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 13 . 1013 . 1 1 2 SER O O 1.911 0.441 1.702 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 13 . 1014 . 1 1 2 SER OG O 1.252 3.102 0.107 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 13 . 1015 . 1 1 3 PRO C C 3.585 1.985 3.528 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 13 . 1016 . 1 1 3 PRO CA C 4.316 1.127 2.529 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 13 . 1017 . 1 1 3 PRO CB C 5.805 1.428 2.449 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 13 . 1018 . 1 1 3 PRO CD C 4.984 1.993 0.360 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 13 . 1019 . 1 1 3 PRO CG C 5.941 2.454 1.369 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 13 . 1020 . 1 1 3 PRO HA H 4.170 0.086 2.765 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 13 . 1021 . 1 1 3 PRO HB2 H 6.142 1.753 3.443 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 13 . 1022 . 1 1 3 PRO HB3 H 6.376 0.570 2.140 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 13 . 1023 . 1 1 3 PRO HD2 H 4.595 2.844 -0.216 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 13 . 1024 . 1 1 3 PRO HD3 H 5.478 1.280 -0.300 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 13 . 1025 . 1 1 3 PRO HG2 H 5.673 3.435 1.742 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 13 . 1026 . 1 1 3 PRO HG3 H 6.970 2.449 0.969 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 13 . 1027 . 1 1 3 PRO N N 3.917 1.344 1.144 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 13 . 1028 . 1 1 3 PRO O O 3.688 1.768 4.703 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 13 . 1029 . 1 1 4 LEU C C 0.604 3.521 3.946 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 13 . 1030 . 1 1 4 LEU CA C 2.085 3.861 3.918 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 13 . 1031 . 1 1 4 LEU CB C 2.262 5.313 3.450 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 13 . 1032 . 1 1 4 LEU CD1 C 3.665 7.311 2.840 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 13 . 1033 . 1 1 4 LEU CD2 C 4.352 5.889 4.783 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 13 . 1034 . 1 1 4 LEU CG C 3.705 5.872 3.400 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 13 . 1035 . 1 1 4 LEU H H 2.789 3.146 2.069 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 13 . 1036 . 1 1 4 LEU HA H 2.486 3.759 4.936 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 13 . 1037 . 1 1 4 LEU HB2 H 1.830 5.411 2.455 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 13 . 1038 . 1 1 4 LEU HB3 H 1.678 5.947 4.121 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 13 . 1039 . 1 1 4 LEU HD11 H 3.194 7.989 3.546 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 13 . 1040 . 1 1 4 LEU HD12 H 3.112 7.338 1.892 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 13 . 1041 . 1 1 4 LEU HD13 H 4.685 7.635 2.631 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 13 . 1042 . 1 1 4 LEU HD21 H 5.298 6.415 4.743 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 13 . 1043 . 1 1 4 LEU HD22 H 4.557 4.864 5.068 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 13 . 1044 . 1 1 4 LEU HD23 H 3.688 6.358 5.511 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 13 . 1045 . 1 1 4 LEU HG H 4.300 5.257 2.756 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 13 . 1046 . 1 1 4 LEU N N 2.840 2.994 3.042 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 13 . 1047 . 1 1 4 LEU O O -0.037 3.599 4.984 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 13 . 1048 . 1 1 5 PHE C C -1.754 2.060 1.559 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 13 . 1049 . 1 1 5 PHE CA C -1.407 2.922 2.743 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 13 . 1050 . 1 1 5 PHE CB C -2.134 4.280 2.682 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 13 . 1051 . 1 1 5 PHE CD1 C -4.209 4.346 1.273 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 13 . 1052 . 1 1 5 PHE CD2 C -4.452 3.880 3.612 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 13 . 1053 . 1 1 5 PHE CE1 C -5.565 4.180 1.073 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 13 . 1054 . 1 1 5 PHE CE2 C -5.861 3.765 3.453 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 13 . 1055 . 1 1 5 PHE CG C -3.629 4.157 2.528 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 13 . 1056 . 1 1 5 PHE CZ C -6.418 3.899 2.172 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 13 . 1057 . 1 1 5 PHE H H 0.577 3.075 1.969 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 13 . 1058 . 1 1 5 PHE HA H -1.713 2.398 3.647 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 13 . 1059 . 1 1 5 PHE HB2 H -1.959 4.817 3.627 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 13 . 1060 . 1 1 5 PHE HB3 H -1.697 4.884 1.876 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 13 . 1061 . 1 1 5 PHE HD1 H -3.553 4.617 0.438 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 13 . 1062 . 1 1 5 PHE HD2 H -4.043 3.790 4.581 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 13 . 1063 . 1 1 5 PHE HE1 H -5.958 4.275 0.067 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 13 . 1064 . 1 1 5 PHE HE2 H -6.505 3.553 4.298 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 13 . 1065 . 1 1 5 PHE HZ H -7.478 3.789 2.024 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 13 . 1066 . 1 1 5 PHE N N 0.037 3.163 2.804 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 13 . 1067 . 1 1 5 PHE O O -1.284 2.344 0.448 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 13 . 1068 . 1 1 6 ASP C C -2.089 -0.291 -0.241 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 13 . 1069 . 1 1 6 ASP CA C -3.114 0.176 0.740 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 13 . 1070 . 1 1 6 ASP CB C -4.256 0.890 0.024 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 13 . 1071 . 1 1 6 ASP CG C -5.565 0.726 0.753 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 13 . 1072 . 1 1 6 ASP H H -2.961 0.906 2.719 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 13 . 1073 . 1 1 6 ASP HA H -3.519 -0.700 1.235 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 13 . 1074 . 1 1 6 ASP HB2 H -3.986 1.943 -0.047 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 13 . 1075 . 1 1 6 ASP HB3 H -4.357 0.473 -0.981 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 13 . 1076 . 1 1 6 ASP N N -2.599 1.070 1.791 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 13 . 1077 . 1 1 6 ASP O O -1.945 0.227 -1.353 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 13 . 1078 . 1 1 6 ASP OD1 O -5.554 0.244 1.901 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 13 . 1079 . 1 1 6 ASP OD2 O -6.606 1.055 0.177 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 14 . 1080 . 1 1 1 GLY C C 0.916 -1.427 -0.456 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 14 . 1081 . 1 1 1 GLY CA C -0.427 -2.114 -0.156 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 14 . 1082 . 1 1 1 GLY H1 H -1.445 -1.069 1.426 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 14 . 1083 . 1 1 1 GLY HA2 H -0.295 -2.914 0.547 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 14 . 1084 . 1 1 1 GLY HA3 H -0.835 -2.521 -1.074 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 14 . 1085 . 1 1 1 GLY N N -1.370 -1.158 0.383 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 14 . 1086 . 1 1 1 GLY O O 1.988 -2.005 -0.410 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 14 . 1087 . 1 1 2 SER C C 2.601 1.099 0.360 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 14 . 1088 . 1 1 2 SER CA C 2.022 0.733 -1.001 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 14 . 1089 . 1 1 2 SER CB C 1.597 1.997 -1.765 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 14 . 1090 . 1 1 2 SER H H -0.062 0.316 -0.797 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 14 . 1091 . 1 1 2 SER HA H 2.772 0.191 -1.585 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 14 . 1092 . 1 1 2 SER HB2 H 0.782 2.446 -1.234 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 14 . 1093 . 1 1 2 SER HB3 H 2.428 2.718 -1.822 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 14 . 1094 . 1 1 2 SER HG H 1.967 1.506 -3.623 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 14 . 1095 . 1 1 2 SER N N 0.838 -0.120 -0.758 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 14 . 1096 . 1 1 2 SER O O 1.946 0.899 1.380 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 14 . 1097 . 1 1 2 SER OG O 1.164 1.695 -3.095 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 14 . 1098 . 1 1 3 PRO C C 3.249 3.012 2.434 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 14 . 1099 . 1 1 3 PRO CA C 4.221 2.019 1.788 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 14 . 1100 . 1 1 3 PRO CB C 5.584 2.674 1.571 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 14 . 1101 . 1 1 3 PRO CD C 4.875 2.055 -0.529 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 14 . 1102 . 1 1 3 PRO CG C 5.572 3.186 0.175 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 14 . 1103 . 1 1 3 PRO HA H 4.292 1.120 2.404 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 14 . 1104 . 1 1 3 PRO HB2 H 5.758 3.488 2.277 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 14 . 1105 . 1 1 3 PRO HB3 H 6.357 1.918 1.656 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 14 . 1106 . 1 1 3 PRO HD2 H 4.431 2.399 -1.473 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 14 . 1107 . 1 1 3 PRO HD3 H 5.551 1.217 -0.671 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 14 . 1108 . 1 1 3 PRO HG2 H 5.002 4.111 0.079 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 14 . 1109 . 1 1 3 PRO HG3 H 6.595 3.291 -0.190 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 14 . 1110 . 1 1 3 PRO N N 3.829 1.664 0.430 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 14 . 1111 . 1 1 3 PRO O O 2.711 3.903 1.747 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 14 . 1112 . 1 1 4 LEU C C 0.599 3.247 4.290 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 14 . 1113 . 1 1 4 LEU CA C 2.093 3.603 4.551 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 14 . 1114 . 1 1 4 LEU CB C 2.308 5.122 4.423 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 14 . 1115 . 1 1 4 LEU CD1 C 3.832 7.094 4.350 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 14 . 1116 . 1 1 4 LEU CD2 C 4.238 5.303 6.075 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 14 . 1117 . 1 1 4 LEU CG C 3.759 5.600 4.674 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 14 . 1118 . 1 1 4 LEU H H 3.530 2.071 4.209 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 14 . 1119 . 1 1 4 LEU HA H 2.287 3.355 5.579 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 14 . 1120 . 1 1 4 LEU HB2 H 2.007 5.465 3.448 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 14 . 1121 . 1 1 4 LEU HB3 H 1.649 5.622 5.155 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 14 . 1122 . 1 1 4 LEU HD11 H 3.052 7.625 4.888 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 14 . 1123 . 1 1 4 LEU HD12 H 3.712 7.244 3.265 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 14 . 1124 . 1 1 4 LEU HD13 H 4.796 7.478 4.641 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 14 . 1125 . 1 1 4 LEU HD21 H 4.176 4.240 6.286 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 14 . 1126 . 1 1 4 LEU HD22 H 3.630 5.859 6.775 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 14 . 1127 . 1 1 4 LEU HD23 H 5.262 5.628 6.189 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 14 . 1128 . 1 1 4 LEU HG H 4.414 5.083 3.994 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 14 . 1129 . 1 1 4 LEU N N 3.028 2.820 3.737 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 14 . 1130 . 1 1 4 LEU O O -0.137 3.153 5.243 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 14 . 1131 . 1 1 5 PHE C C -1.494 1.949 1.492 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 14 . 1132 . 1 1 5 PHE CA C -1.242 2.688 2.810 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 14 . 1133 . 1 1 5 PHE CB C -2.108 3.934 2.804 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 14 . 1134 . 1 1 5 PHE CD1 C -2.223 4.992 0.483 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 14 . 1135 . 1 1 5 PHE CD2 C -0.711 5.955 2.125 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 14 . 1136 . 1 1 5 PHE CE1 C -1.828 5.995 -0.454 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 14 . 1137 . 1 1 5 PHE CE2 C -0.293 6.933 1.177 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 14 . 1138 . 1 1 5 PHE CG C -1.683 4.964 1.783 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 14 . 1139 . 1 1 5 PHE CZ C -0.861 6.942 -0.121 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 14 . 1140 . 1 1 5 PHE H H 0.778 3.080 2.285 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 14 . 1141 . 1 1 5 PHE HA H -1.581 2.071 3.634 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 14 . 1142 . 1 1 5 PHE HB2 H -3.127 3.658 2.599 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 14 . 1143 . 1 1 5 PHE HB3 H -2.062 4.399 3.780 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 14 . 1144 . 1 1 5 PHE HD1 H -2.969 4.251 0.170 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 14 . 1145 . 1 1 5 PHE HD2 H -0.273 5.941 3.096 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 14 . 1146 . 1 1 5 PHE HE1 H -2.276 6.021 -1.412 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 14 . 1147 . 1 1 5 PHE HE2 H 0.447 7.660 1.450 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 14 . 1148 . 1 1 5 PHE HZ H -0.568 7.675 -0.854 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 14 . 1149 . 1 1 5 PHE N N 0.155 3.028 3.058 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 14 . 1150 . 1 1 5 PHE O O -0.740 2.060 0.562 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 14 . 1151 . 1 1 6 ASP C C -2.128 -0.429 -0.413 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 14 . 1152 . 1 1 6 ASP CA C -3.144 0.492 0.276 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 14 . 1153 . 1 1 6 ASP CB C -3.815 1.469 -0.726 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 14 . 1154 . 1 1 6 ASP CG C -5.164 1.980 -0.247 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 14 . 1155 . 1 1 6 ASP H H -3.207 1.192 2.274 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 14 . 1156 . 1 1 6 ASP HA H -3.914 -0.172 0.663 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 14 . 1157 . 1 1 6 ASP HB2 H -3.121 2.256 -0.870 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 14 . 1158 . 1 1 6 ASP HB3 H -3.959 0.946 -1.692 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 14 . 1159 . 1 1 6 ASP N N -2.623 1.226 1.463 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 14 . 1160 . 1 1 6 ASP O O -2.040 -0.515 -1.624 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 14 . 1161 . 1 1 6 ASP OD1 O -5.489 1.730 0.963 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 14 . 1162 . 1 1 6 ASP OD2 O -5.886 2.631 -1.043 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 15 . 1163 . 1 1 1 GLY C C 0.711 -0.981 -1.446 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 15 . 1164 . 1 1 1 GLY CA C -0.550 -1.827 -1.323 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 15 . 1165 . 1 1 1 GLY H1 H -1.259 -2.043 0.673 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 15 . 1166 . 1 1 1 GLY HA2 H -0.280 -2.891 -1.228 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 15 . 1167 . 1 1 1 GLY HA3 H -1.164 -1.661 -2.216 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 15 . 1168 . 1 1 1 GLY N N -1.324 -1.477 -0.153 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 15 . 1169 . 1 1 1 GLY O O 1.378 -1.019 -2.485 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 15 . 1170 . 1 1 2 SER C C 2.712 0.656 1.085 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 15 . 1171 . 1 1 2 SER CA C 2.210 0.621 -0.367 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 15 . 1172 . 1 1 2 SER CB C 1.797 2.014 -0.882 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 15 . 1173 . 1 1 2 SER H H 0.411 -0.219 0.410 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 15 . 1174 . 1 1 2 SER HA H 2.990 0.203 -1.006 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 15 . 1175 . 1 1 2 SER HB2 H 0.844 2.275 -0.436 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 15 . 1176 . 1 1 2 SER HB3 H 2.546 2.763 -0.609 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 15 . 1177 . 1 1 2 SER HG H 1.006 1.378 -2.568 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 15 . 1178 . 1 1 2 SER N N 1.034 -0.231 -0.428 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 15 . 1179 . 1 1 2 SER O O 2.028 0.159 1.994 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 15 . 1180 . 1 1 2 SER OG O 1.704 2.000 -2.307 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 15 . 1181 . 1 1 3 PRO C C 3.600 2.155 3.657 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 15 . 1182 . 1 1 3 PRO CA C 4.448 1.258 2.707 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 15 . 1183 . 1 1 3 PRO CB C 5.823 1.879 2.524 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 15 . 1184 . 1 1 3 PRO CD C 4.879 1.753 0.375 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 15 . 1185 . 1 1 3 PRO CG C 6.169 1.607 1.112 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 15 . 1186 . 1 1 3 PRO HA H 4.546 0.254 3.121 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 15 . 1187 . 1 1 3 PRO HB2 H 5.746 2.949 2.694 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 15 . 1188 . 1 1 3 PRO HB3 H 6.584 1.448 3.183 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 15 . 1189 . 1 1 3 PRO HD2 H 4.663 2.817 0.180 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 15 . 1190 . 1 1 3 PRO HD3 H 4.903 1.197 -0.566 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 15 . 1191 . 1 1 3 PRO HG2 H 6.899 2.347 0.770 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 15 . 1192 . 1 1 3 PRO HG3 H 6.568 0.608 0.998 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 15 . 1193 . 1 1 3 PRO N N 3.902 1.194 1.355 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 15 . 1194 . 1 1 3 PRO O O 3.657 1.966 4.833 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 15 . 1195 . 1 1 4 LEU C C 0.528 4.117 3.710 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 15 . 1196 . 1 1 4 LEU CA C 2.042 4.080 3.971 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 15 . 1197 . 1 1 4 LEU CB C 2.625 5.468 3.888 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 15 . 1198 . 1 1 4 LEU CD1 C 3.011 7.710 2.799 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 15 . 1199 . 1 1 4 LEU CD2 C 3.258 5.683 1.376 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 15 . 1200 . 1 1 4 LEU CG C 2.503 6.277 2.581 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 15 . 1201 . 1 1 4 LEU H H 2.869 3.278 2.131 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 15 . 1202 . 1 1 4 LEU HA H 2.139 3.751 5.002 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 15 . 1203 . 1 1 4 LEU HB2 H 2.119 6.016 4.651 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 15 . 1204 . 1 1 4 LEU HB3 H 3.679 5.422 4.160 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 15 . 1205 . 1 1 4 LEU HD11 H 2.910 8.282 1.878 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 15 . 1206 . 1 1 4 LEU HD12 H 4.047 7.696 3.108 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 15 . 1207 . 1 1 4 LEU HD13 H 2.410 8.172 3.588 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 15 . 1208 . 1 1 4 LEU HD21 H 2.732 4.784 1.035 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 15 . 1209 . 1 1 4 LEU HD22 H 4.265 5.442 1.666 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 15 . 1210 . 1 1 4 LEU HD23 H 3.280 6.413 0.566 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 15 . 1211 . 1 1 4 LEU HG H 1.461 6.330 2.315 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 15 . 1212 . 1 1 4 LEU N N 2.870 3.142 3.133 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 15 . 1213 . 1 1 4 LEU O O -0.163 4.942 4.281 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 15 . 1214 . 1 1 5 PHE C C -1.528 1.697 1.945 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 15 . 1215 . 1 1 5 PHE CA C -1.387 3.078 2.585 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 15 . 1216 . 1 1 5 PHE CB C -1.956 4.212 1.691 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 15 . 1217 . 1 1 5 PHE CD1 C -0.256 5.184 0.085 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 15 . 1218 . 1 1 5 PHE CD2 C -1.795 3.538 -0.756 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 15 . 1219 . 1 1 5 PHE CE1 C 0.324 5.336 -1.194 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 15 . 1220 . 1 1 5 PHE CE2 C -1.229 3.673 -2.038 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 15 . 1221 . 1 1 5 PHE CG C -1.323 4.311 0.303 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 15 . 1222 . 1 1 5 PHE CZ C -0.165 4.600 -2.275 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 15 . 1223 . 1 1 5 PHE H H 0.681 2.619 2.391 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 15 . 1224 . 1 1 5 PHE HA H -1.913 3.074 3.524 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 15 . 1225 . 1 1 5 PHE HB2 H -3.038 4.030 1.547 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 15 . 1226 . 1 1 5 PHE HB3 H -1.869 5.172 2.188 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 15 . 1227 . 1 1 5 PHE HD1 H 0.106 5.745 0.887 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 15 . 1228 . 1 1 5 PHE HD2 H -2.625 2.835 -0.625 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 15 . 1229 . 1 1 5 PHE HE1 H 1.144 6.041 -1.338 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 15 . 1230 . 1 1 5 PHE HE2 H -1.640 3.085 -2.854 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 15 . 1231 . 1 1 5 PHE HZ H 0.233 4.691 -3.288 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 15 . 1232 . 1 1 5 PHE N N 0.057 3.232 2.860 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 15 . 1233 . 1 1 5 PHE O O -0.500 1.114 1.617 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 15 . 1234 . 1 1 6 ASP C C -2.134 -0.408 -0.154 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 15 . 1235 . 1 1 6 ASP CA C -2.848 -0.164 1.211 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 15 . 1236 . 1 1 6 ASP CB C -4.310 -0.574 1.162 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 15 . 1237 . 1 1 6 ASP CG C -5.071 0.077 0.048 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 15 . 1238 . 1 1 6 ASP H H -3.548 1.715 1.967 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 15 . 1239 . 1 1 6 ASP HA H -2.372 -0.833 1.913 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 15 . 1240 . 1 1 6 ASP HB2 H -4.324 -1.643 1.038 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 15 . 1241 . 1 1 6 ASP HB3 H -4.770 -0.331 2.106 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 15 . 1242 . 1 1 6 ASP N N -2.715 1.193 1.749 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 15 . 1243 . 1 1 6 ASP O O -2.304 0.317 -1.131 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 15 . 1244 . 1 1 6 ASP OD1 O -5.387 1.292 0.213 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 15 . 1245 . 1 1 6 ASP OD2 O -5.375 -0.610 -0.992 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 16 . 1246 . 1 1 1 GLY C C 1.025 -1.274 0.506 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 16 . 1247 . 1 1 1 GLY CA C 0.021 -0.786 -0.478 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 16 . 1248 . 1 1 1 GLY H1 H -1.129 -0.490 1.270 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 16 . 1249 . 1 1 1 GLY HA2 H -0.236 -1.561 -1.200 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 16 . 1250 . 1 1 1 GLY HA3 H 0.446 0.102 -0.947 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 16 . 1251 . 1 1 1 GLY N N -1.168 -0.446 0.264 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 16 . 1252 . 1 1 1 GLY O O 0.639 -1.774 1.551 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 16 . 1253 . 1 1 2 SER C C 4.066 -0.378 1.851 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 16 . 1254 . 1 1 2 SER CA C 3.351 -1.538 1.135 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 16 . 1255 . 1 1 2 SER CB C 4.380 -2.435 0.422 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 16 . 1256 . 1 1 2 SER H H 2.580 -0.744 -0.702 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 16 . 1257 . 1 1 2 SER HA H 2.885 -2.165 1.906 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 16 . 1258 . 1 1 2 SER HB2 H 3.873 -3.340 0.042 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 16 . 1259 . 1 1 2 SER HB3 H 4.846 -1.873 -0.413 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 16 . 1260 . 1 1 2 SER HG H 5.044 -3.263 2.123 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 16 . 1261 . 1 1 2 SER N N 2.304 -1.149 0.209 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 16 . 1262 . 1 1 2 SER O O 4.073 -0.326 3.068 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 16 . 1263 . 1 1 2 SER OG O 5.430 -2.877 1.305 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 16 . 1264 . 1 1 3 PRO C C 4.255 2.733 2.368 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 16 . 1265 . 1 1 3 PRO CA C 5.275 1.680 1.910 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 16 . 1266 . 1 1 3 PRO CB C 6.281 2.313 0.910 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 16 . 1267 . 1 1 3 PRO CD C 4.808 0.840 -0.345 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 16 . 1268 . 1 1 3 PRO CG C 5.594 2.170 -0.383 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 16 . 1269 . 1 1 3 PRO HA H 5.818 1.268 2.765 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 16 . 1270 . 1 1 3 PRO HB2 H 6.463 3.360 1.156 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 16 . 1271 . 1 1 3 PRO HB3 H 7.225 1.768 0.890 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 16 . 1272 . 1 1 3 PRO HD2 H 3.829 0.939 -0.822 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 16 . 1273 . 1 1 3 PRO HD3 H 5.404 0.069 -0.843 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 16 . 1274 . 1 1 3 PRO HG2 H 4.925 2.997 -0.542 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 16 . 1275 . 1 1 3 PRO HG3 H 6.334 2.132 -1.209 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 16 . 1276 . 1 1 3 PRO N N 4.652 0.605 1.117 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 16 . 1277 . 1 1 3 PRO O O 4.658 3.744 3.029 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 16 . 1278 . 1 1 4 LEU C C 0.608 2.637 2.594 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 16 . 1279 . 1 1 4 LEU CA C 1.906 3.471 2.466 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 16 . 1280 . 1 1 4 LEU CB C 1.721 4.575 1.402 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 16 . 1281 . 1 1 4 LEU CD1 C 0.910 3.264 -0.642 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 16 . 1282 . 1 1 4 LEU CD2 C 1.728 5.576 -0.943 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 16 . 1283 . 1 1 4 LEU CG C 1.864 4.298 -0.127 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 16 . 1284 . 1 1 4 LEU H H 2.704 1.695 1.511 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 16 . 1285 . 1 1 4 LEU HA H 2.134 3.933 3.442 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 16 . 1286 . 1 1 4 LEU HB2 H 0.735 4.983 1.571 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 16 . 1287 . 1 1 4 LEU HB3 H 2.423 5.359 1.660 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 16 . 1288 . 1 1 4 LEU HD11 H 1.073 2.304 -0.162 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 16 . 1289 . 1 1 4 LEU HD12 H 1.011 3.175 -1.727 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 16 . 1290 . 1 1 4 LEU HD13 H -0.144 3.589 -0.432 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 16 . 1291 . 1 1 4 LEU HD21 H 1.901 5.340 -1.997 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 16 . 1292 . 1 1 4 LEU HD22 H 2.460 6.319 -0.613 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 16 . 1293 . 1 1 4 LEU HD23 H 0.720 5.977 -0.821 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 16 . 1294 . 1 1 4 LEU HG H 2.856 3.926 -0.304 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 16 . 1295 . 1 1 4 LEU N N 2.982 2.550 2.065 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 16 . 1296 . 1 1 4 LEU O O 0.621 1.460 2.219 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 16 . 1297 . 1 1 5 PHE C C -2.231 2.007 1.850 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 16 . 1298 . 1 1 5 PHE CA C -1.745 2.495 3.217 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 16 . 1299 . 1 1 5 PHE CB C -2.772 3.404 3.918 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 16 . 1300 . 1 1 5 PHE CD1 C -3.789 4.941 2.143 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 16 . 1301 . 1 1 5 PHE CD2 C -2.193 5.893 3.721 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 16 . 1302 . 1 1 5 PHE CE1 C -3.961 6.244 1.550 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 16 . 1303 . 1 1 5 PHE CE2 C -2.345 7.185 3.132 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 16 . 1304 . 1 1 5 PHE CG C -2.912 4.771 3.240 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 16 . 1305 . 1 1 5 PHE CZ C -3.232 7.331 2.054 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 16 . 1306 . 1 1 5 PHE H H -0.453 4.170 3.387 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 16 . 1307 . 1 1 5 PHE HA H -1.583 1.633 3.834 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 16 . 1308 . 1 1 5 PHE HB2 H -3.755 2.892 3.902 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 16 . 1309 . 1 1 5 PHE HB3 H -2.467 3.549 4.965 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 16 . 1310 . 1 1 5 PHE HD1 H -4.362 4.070 1.745 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 16 . 1311 . 1 1 5 PHE HD2 H -1.534 5.748 4.577 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 16 . 1312 . 1 1 5 PHE HE1 H -4.641 6.366 0.694 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 16 . 1313 . 1 1 5 PHE HE2 H -1.809 8.063 3.506 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 16 . 1314 . 1 1 5 PHE HZ H -3.357 8.316 1.587 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 16 . 1315 . 1 1 5 PHE N N -0.475 3.205 3.094 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 16 . 1316 . 1 1 5 PHE O O -1.918 2.595 0.833 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 16 . 1317 . 1 1 6 ASP C C -2.277 -0.084 -0.354 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 16 . 1318 . 1 1 6 ASP CA C -3.476 0.268 0.583 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 16 . 1319 . 1 1 6 ASP CB C -4.561 1.157 -0.115 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 16 . 1320 . 1 1 6 ASP CG C -5.063 0.573 -1.445 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 16 . 1321 . 1 1 6 ASP H H -3.251 0.477 2.733 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 16 . 1322 . 1 1 6 ASP HA H -3.950 -0.665 0.830 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 16 . 1323 . 1 1 6 ASP HB2 H -5.406 1.288 0.589 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 16 . 1324 . 1 1 6 ASP HB3 H -4.129 2.132 -0.314 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 16 . 1325 . 1 1 6 ASP N N -2.984 0.914 1.852 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 16 . 1326 . 1 1 6 ASP O O -2.304 -0.035 -1.568 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 16 . 1327 . 1 1 6 ASP OD1 O -4.931 1.328 -2.467 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 16 . 1328 . 1 1 6 ASP OD2 O -5.595 -0.565 -1.460 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 17 . 1329 . 1 1 1 GLY C C 1.016 -1.239 0.329 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 17 . 1330 . 1 1 1 GLY CA C -0.050 -0.944 -0.707 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 17 . 1331 . 1 1 1 GLY H1 H -0.889 0.521 0.630 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 17 . 1332 . 1 1 1 GLY HA2 H -0.413 -1.872 -1.127 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 17 . 1333 . 1 1 1 GLY HA3 H 0.385 -0.342 -1.504 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 17 . 1334 . 1 1 1 GLY N N -1.119 -0.227 -0.027 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 17 . 1335 . 1 1 1 GLY O O 0.792 -1.144 1.532 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 17 . 1336 . 1 1 2 SER C C 3.833 -0.583 1.471 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 17 . 1337 . 1 1 2 SER CA C 3.367 -1.862 0.735 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 17 . 1338 . 1 1 2 SER CB C 4.496 -2.504 -0.083 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 17 . 1339 . 1 1 2 SER H H 2.343 -1.645 -1.157 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 17 . 1340 . 1 1 2 SER HA H 3.052 -2.578 1.506 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 17 . 1341 . 1 1 2 SER HB2 H 5.410 -1.933 0.006 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 17 . 1342 . 1 1 2 SER HB3 H 4.714 -3.501 0.302 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 17 . 1343 . 1 1 2 SER HG H 3.855 -3.496 -1.653 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 17 . 1344 . 1 1 2 SER N N 2.207 -1.582 -0.151 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 17 . 1345 . 1 1 2 SER O O 3.847 -0.564 2.689 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 17 . 1346 . 1 1 2 SER OG O 4.114 -2.597 -1.458 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 17 . 1347 . 1 1 3 PRO C C 3.086 2.415 1.983 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 17 . 1348 . 1 1 3 PRO CA C 4.397 1.738 1.548 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 17 . 1349 . 1 1 3 PRO CB C 5.134 2.626 0.561 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 17 . 1350 . 1 1 3 PRO CD C 4.396 0.766 -0.704 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 17 . 1351 . 1 1 3 PRO CG C 4.577 2.262 -0.776 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 17 . 1352 . 1 1 3 PRO HA H 5.024 1.511 2.409 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 17 . 1353 . 1 1 3 PRO HB2 H 4.955 3.685 0.733 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 17 . 1354 . 1 1 3 PRO HB3 H 6.208 2.385 0.611 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 17 . 1355 . 1 1 3 PRO HD2 H 3.538 0.438 -1.297 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 17 . 1356 . 1 1 3 PRO HD3 H 5.307 0.257 -1.050 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 17 . 1357 . 1 1 3 PRO HG2 H 3.609 2.743 -0.968 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 17 . 1358 . 1 1 3 PRO HG3 H 5.306 2.551 -1.529 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 17 . 1359 . 1 1 3 PRO N N 4.196 0.506 0.747 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 17 . 1360 . 1 1 3 PRO O O 2.080 2.193 1.384 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 17 . 1361 . 1 1 4 LEU C C 0.741 3.088 3.800 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 17 . 1362 . 1 1 4 LEU CA C 1.966 3.967 3.498 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 17 . 1363 . 1 1 4 LEU CB C 1.633 5.123 2.532 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 17 . 1364 . 1 1 4 LEU CD1 C 2.456 7.133 1.245 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 17 . 1365 . 1 1 4 LEU CD2 C 2.972 6.930 3.710 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 17 . 1366 . 1 1 4 LEU CG C 2.772 6.140 2.369 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 17 . 1367 . 1 1 4 LEU H H 3.977 3.331 3.516 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 17 . 1368 . 1 1 4 LEU HA H 2.260 4.434 4.437 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 17 . 1369 . 1 1 4 LEU HB2 H 1.383 4.701 1.551 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 17 . 1370 . 1 1 4 LEU HB3 H 0.756 5.648 2.924 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 17 . 1371 . 1 1 4 LEU HD11 H 1.490 7.599 1.432 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 17 . 1372 . 1 1 4 LEU HD12 H 2.414 6.613 0.286 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 17 . 1373 . 1 1 4 LEU HD13 H 3.224 7.908 1.207 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 17 . 1374 . 1 1 4 LEU HD21 H 2.018 7.373 4.012 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 17 . 1375 . 1 1 4 LEU HD22 H 3.700 7.725 3.575 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 17 . 1376 . 1 1 4 LEU HD23 H 3.310 6.260 4.512 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 17 . 1377 . 1 1 4 LEU HG H 3.702 5.604 2.135 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 17 . 1378 . 1 1 4 LEU N N 3.135 3.236 3.015 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 17 . 1379 . 1 1 4 LEU O O 0.759 2.324 4.759 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 17 . 1380 . 1 1 5 PHE C C -1.930 1.969 1.765 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 17 . 1381 . 1 1 5 PHE CA C -1.495 2.467 3.140 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 17 . 1382 . 1 1 5 PHE CB C -2.599 3.335 3.753 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 17 . 1383 . 1 1 5 PHE CD1 C -2.379 5.718 2.846 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 17 . 1384 . 1 1 5 PHE CD2 C -4.116 4.270 1.917 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 17 . 1385 . 1 1 5 PHE CE1 C -2.810 6.735 2.007 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 17 . 1386 . 1 1 5 PHE CE2 C -4.525 5.298 1.041 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 17 . 1387 . 1 1 5 PHE CG C -3.040 4.467 2.844 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 17 . 1388 . 1 1 5 PHE CZ C -3.875 6.530 1.094 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 17 . 1389 . 1 1 5 PHE H H -0.246 3.823 2.202 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 17 . 1390 . 1 1 5 PHE HA H -1.286 1.618 3.797 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 17 . 1391 . 1 1 5 PHE HB2 H -3.459 2.703 3.961 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 17 . 1392 . 1 1 5 PHE HB3 H -2.264 3.764 4.698 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 17 . 1393 . 1 1 5 PHE HD1 H -1.533 5.889 3.499 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 17 . 1394 . 1 1 5 PHE HD2 H -4.617 3.316 1.878 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 17 . 1395 . 1 1 5 PHE HE1 H -2.319 7.677 2.064 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 17 . 1396 . 1 1 5 PHE HE2 H -5.333 5.145 0.319 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 17 . 1397 . 1 1 5 PHE HZ H -4.196 7.315 0.424 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 17 . 1398 . 1 1 5 PHE N N -0.295 3.217 2.980 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 17 . 1399 . 1 1 5 PHE O O -1.426 2.482 0.760 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 17 . 1400 . 1 1 6 ASP C C -2.383 -0.503 -0.243 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 17 . 1401 . 1 1 6 ASP CA C -3.368 0.326 0.543 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 17 . 1402 . 1 1 6 ASP CB C -4.087 1.280 -0.393 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 17 . 1403 . 1 1 6 ASP CG C -5.589 1.420 -0.029 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 17 . 1404 . 1 1 6 ASP H H -3.221 0.707 2.617 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 17 . 1405 . 1 1 6 ASP HA H -4.125 -0.370 0.884 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 17 . 1406 . 1 1 6 ASP HB2 H -3.606 2.239 -0.386 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 17 . 1407 . 1 1 6 ASP HB3 H -4.033 0.879 -1.409 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 17 . 1408 . 1 1 6 ASP N N -2.830 1.012 1.755 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 17 . 1409 . 1 1 6 ASP O O -2.725 -1.396 -1.015 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 17 . 1410 . 1 1 6 ASP OD1 O -5.910 1.383 1.196 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 17 . 1411 . 1 1 6 ASP OD2 O -6.425 1.540 -0.961 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 18 . 1412 . 1 1 1 GLY C C 0.915 -0.977 -1.432 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 18 . 1413 . 1 1 1 GLY CA C -0.488 -1.554 -1.410 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 18 . 1414 . 1 1 1 GLY H1 H -0.914 -1.751 0.682 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 18 . 1415 . 1 1 1 GLY HA2 H -0.452 -2.645 -1.577 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 18 . 1416 . 1 1 1 GLY HA3 H -1.053 -1.096 -2.249 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 18 . 1417 . 1 1 1 GLY N N -1.202 -1.282 -0.154 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 18 . 1418 . 1 1 1 GLY O O 1.703 -1.321 -2.295 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 18 . 1419 . 1 1 2 SER C C 2.629 0.561 1.233 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 18 . 1420 . 1 1 2 SER CA C 2.495 0.539 -0.297 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 18 . 1421 . 1 1 2 SER CB C 2.473 2.007 -0.813 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 18 . 1422 . 1 1 2 SER H H 0.471 0.095 0.189 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 18 . 1423 . 1 1 2 SER HA H 3.271 -0.040 -0.784 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 18 . 1424 . 1 1 2 SER HB2 H 1.750 2.585 -0.214 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 18 . 1425 . 1 1 2 SER HB3 H 3.444 2.447 -0.690 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 18 . 1426 . 1 1 2 SER HG H 1.165 1.781 -2.269 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 18 . 1427 . 1 1 2 SER N N 1.193 -0.123 -0.480 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 18 . 1428 . 1 1 2 SER O O 1.630 0.351 1.898 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 18 . 1429 . 1 1 2 SER OG O 2.102 2.102 -2.187 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 18 . 1430 . 1 1 3 PRO C C 3.164 2.095 3.827 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 18 . 1431 . 1 1 3 PRO CA C 3.989 0.937 3.257 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 18 . 1432 . 1 1 3 PRO CB C 5.466 1.224 3.441 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 18 . 1433 . 1 1 3 PRO CD C 5.190 0.962 1.118 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 18 . 1434 . 1 1 3 PRO CG C 6.079 0.594 2.201 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 18 . 1435 . 1 1 3 PRO HA H 3.709 0.012 3.772 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 18 . 1436 . 1 1 3 PRO HB2 H 5.650 2.277 3.467 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 18 . 1437 . 1 1 3 PRO HB3 H 5.826 0.741 4.346 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 18 . 1438 . 1 1 3 PRO HD2 H 5.382 2.010 0.809 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 18 . 1439 . 1 1 3 PRO HD3 H 5.310 0.293 0.289 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 18 . 1440 . 1 1 3 PRO HG2 H 7.115 0.918 1.999 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 18 . 1441 . 1 1 3 PRO HG3 H 6.112 -0.455 2.336 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 18 . 1442 . 1 1 3 PRO N N 3.852 0.797 1.785 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 18 . 1443 . 1 1 3 PRO O O 2.784 2.078 4.967 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 18 . 1444 . 1 1 4 LEU C C 0.680 3.971 3.662 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 18 . 1445 . 1 1 4 LEU CA C 2.144 4.294 3.438 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 18 . 1446 . 1 1 4 LEU CB C 2.251 5.397 2.380 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 18 . 1447 . 1 1 4 LEU CD1 C 4.295 6.677 3.295 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 18 . 1448 . 1 1 4 LEU CD2 C 4.564 5.173 1.317 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 18 . 1449 . 1 1 4 LEU CG C 3.599 6.081 2.057 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 18 . 1450 . 1 1 4 LEU H H 3.231 3.061 2.059 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 18 . 1451 . 1 1 4 LEU HA H 2.569 4.655 4.373 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 18 . 1452 . 1 1 4 LEU HB2 H 1.864 5.009 1.445 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 18 . 1453 . 1 1 4 LEU HB3 H 1.585 6.198 2.693 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 18 . 1454 . 1 1 4 LEU HD11 H 3.569 7.204 3.890 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 18 . 1455 . 1 1 4 LEU HD12 H 5.062 7.380 2.988 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 18 . 1456 . 1 1 4 LEU HD13 H 4.749 5.897 3.895 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 18 . 1457 . 1 1 4 LEU HD21 H 4.072 4.797 0.418 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 18 . 1458 . 1 1 4 LEU HD22 H 4.883 4.342 1.943 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 18 . 1459 . 1 1 4 LEU HD23 H 5.449 5.740 1.026 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 18 . 1460 . 1 1 4 LEU HG H 3.364 6.922 1.387 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 18 . 1461 . 1 1 4 LEU N N 2.912 3.109 3.003 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 18 . 1462 . 1 1 4 LEU O O 0.136 4.270 4.706 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 18 . 1463 . 1 1 5 PHE C C -1.526 1.762 1.854 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 18 . 1464 . 1 1 5 PHE CA C -1.381 2.952 2.756 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 18 . 1465 . 1 1 5 PHE CB C -2.313 4.108 2.350 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 18 . 1466 . 1 1 5 PHE CD1 C -2.998 3.841 -0.095 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 18 . 1467 . 1 1 5 PHE CD2 C -1.243 5.459 0.446 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 18 . 1468 . 1 1 5 PHE CE1 C -2.882 4.131 -1.427 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 18 . 1469 . 1 1 5 PHE CE2 C -1.128 5.787 -0.945 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 18 . 1470 . 1 1 5 PHE CG C -2.192 4.479 0.864 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 18 . 1471 . 1 1 5 PHE CZ C -1.968 5.096 -1.872 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 18 . 1472 . 1 1 5 PHE H H 0.510 3.101 1.789 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 18 . 1473 . 1 1 5 PHE HA H -1.599 2.671 3.779 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 18 . 1474 . 1 1 5 PHE HB2 H -3.344 3.844 2.566 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 18 . 1475 . 1 1 5 PHE HB3 H -2.027 4.982 2.912 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 18 . 1476 . 1 1 5 PHE HD1 H -3.715 3.114 0.201 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 18 . 1477 . 1 1 5 PHE HD2 H -0.603 5.935 1.186 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 18 . 1478 . 1 1 5 PHE HE1 H -3.505 3.605 -2.152 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 18 . 1479 . 1 1 5 PHE HE2 H -0.426 6.546 -1.229 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 18 . 1480 . 1 1 5 PHE HZ H -1.892 5.317 -2.907 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 18 . 1481 . 1 1 5 PHE N N 0.038 3.347 2.648 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 18 . 1482 . 1 1 5 PHE O O -0.661 1.541 1.025 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 18 . 1483 . 1 1 6 ASP C C -2.228 -0.415 -0.164 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 18 . 1484 . 1 1 6 ASP CA C -2.901 -0.226 1.178 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 18 . 1485 . 1 1 6 ASP CB C -4.422 -0.338 0.927 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 18 . 1486 . 1 1 6 ASP CG C -5.158 -0.844 2.146 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 18 . 1487 . 1 1 6 ASP H H -3.291 1.282 2.630 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 18 . 1488 . 1 1 6 ASP HA H -2.580 -1.065 1.777 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 18 . 1489 . 1 1 6 ASP HB2 H -4.832 0.609 0.631 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 18 . 1490 . 1 1 6 ASP HB3 H -4.593 -1.052 0.103 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 18 . 1491 . 1 1 6 ASP N N -2.618 1.007 1.955 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 18 . 1492 . 1 1 6 ASP O O -2.599 0.247 -1.160 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 18 . 1493 . 1 1 6 ASP OD1 O -6.274 -0.362 2.421 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 18 . 1494 . 1 1 6 ASP OD2 O -4.555 -1.690 2.865 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 19 . 1495 . 1 1 1 GLY C C 1.289 -1.478 0.296 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 19 . 1496 . 1 1 1 GLY CA C 0.057 -1.185 -0.527 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 19 . 1497 . 1 1 1 GLY H1 H -0.778 -0.256 1.191 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 19 . 1498 . 1 1 1 GLY HA2 H -0.332 -2.131 -0.937 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 19 . 1499 . 1 1 1 GLY HA3 H 0.335 -0.521 -1.336 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 19 . 1500 . 1 1 1 GLY N N -0.979 -0.528 0.251 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 19 . 1501 . 1 1 1 GLY O O 1.246 -1.583 1.508 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 19 . 1502 . 1 1 2 SER C C 4.127 -0.576 0.973 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 19 . 1503 . 1 1 2 SER CA C 3.703 -1.833 0.217 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 19 . 1504 . 1 1 2 SER CB C 4.753 -2.203 -0.839 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 19 . 1505 . 1 1 2 SER H H 2.356 -1.579 -1.430 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 19 . 1506 . 1 1 2 SER HA H 3.643 -2.668 0.945 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 19 . 1507 . 1 1 2 SER HB2 H 4.383 -3.065 -1.393 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 19 . 1508 . 1 1 2 SER HB3 H 4.890 -1.360 -1.516 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 19 . 1509 . 1 1 2 SER HG H 6.315 -1.751 0.250 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 19 . 1510 . 1 1 2 SER N N 2.407 -1.627 -0.407 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 19 . 1511 . 1 1 2 SER O O 4.526 -0.679 2.147 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 19 . 1512 . 1 1 2 SER OG O 5.996 -2.532 -0.239 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 19 . 1513 . 1 1 3 PRO C C 3.016 2.056 2.086 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 19 . 1514 . 1 1 3 PRO CA C 4.237 1.815 1.196 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 19 . 1515 . 1 1 3 PRO CB C 4.407 2.939 0.188 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 19 . 1516 . 1 1 3 PRO CD C 3.744 1.070 -1.052 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 19 . 1517 . 1 1 3 PRO CG C 3.536 2.542 -0.925 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 19 . 1518 . 1 1 3 PRO HA H 5.115 1.702 1.816 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 19 . 1519 . 1 1 3 PRO HB2 H 4.145 3.898 0.574 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 19 . 1520 . 1 1 3 PRO HB3 H 5.438 2.968 -0.127 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 19 . 1521 . 1 1 3 PRO HD2 H 2.811 0.606 -1.381 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 19 . 1522 . 1 1 3 PRO HD3 H 4.570 0.853 -1.714 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 19 . 1523 . 1 1 3 PRO HG2 H 2.508 2.752 -0.694 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 19 . 1524 . 1 1 3 PRO HG3 H 3.824 3.052 -1.856 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 19 . 1525 . 1 1 3 PRO N N 4.042 0.642 0.348 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 19 . 1526 . 1 1 3 PRO O O 2.075 1.294 2.111 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 19 . 1527 . 1 1 4 LEU C C 0.668 3.598 2.886 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 19 . 1528 . 1 1 4 LEU CA C 1.959 3.471 3.703 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 19 . 1529 . 1 1 4 LEU CB C 2.221 4.766 4.490 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 19 . 1530 . 1 1 4 LEU CD1 C 2.236 7.132 4.955 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 19 . 1531 . 1 1 4 LEU CD2 C 3.489 6.406 2.836 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 19 . 1532 . 1 1 4 LEU CG C 2.242 6.145 3.768 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 19 . 1533 . 1 1 4 LEU H H 3.853 3.800 2.777 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 19 . 1534 . 1 1 4 LEU HA H 1.837 2.648 4.408 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 19 . 1535 . 1 1 4 LEU HB2 H 1.487 4.824 5.285 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 19 . 1536 . 1 1 4 LEU HB3 H 3.203 4.682 4.995 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 19 . 1537 . 1 1 4 LEU HD11 H 1.246 7.133 5.427 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 19 . 1538 . 1 1 4 LEU HD12 H 2.426 8.139 4.612 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 19 . 1539 . 1 1 4 LEU HD13 H 2.979 6.865 5.701 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 19 . 1540 . 1 1 4 LEU HD21 H 4.421 6.190 3.372 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 19 . 1541 . 1 1 4 LEU HD22 H 3.479 7.459 2.534 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 19 . 1542 . 1 1 4 LEU HD23 H 3.396 5.788 1.938 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 19 . 1543 . 1 1 4 LEU HG H 1.317 6.258 3.195 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 19 . 1544 . 1 1 4 LEU N N 3.060 3.163 2.818 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 19 . 1545 . 1 1 4 LEU O O 0.684 4.126 1.791 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 19 . 1546 . 1 1 5 PHE C C -1.976 2.163 1.656 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 19 . 1547 . 1 1 5 PHE CA C -1.785 3.004 2.923 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 19 . 1548 . 1 1 5 PHE CB C -2.296 4.423 2.673 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 19 . 1549 . 1 1 5 PHE CD1 C -3.790 5.070 4.638 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 19 . 1550 . 1 1 5 PHE CD2 C -1.586 6.128 4.453 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 19 . 1551 . 1 1 5 PHE CE1 C -4.035 5.787 5.803 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 19 . 1552 . 1 1 5 PHE CE2 C -1.852 6.822 5.628 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 19 . 1553 . 1 1 5 PHE CG C -2.559 5.209 3.942 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 19 . 1554 . 1 1 5 PHE CZ C -3.082 6.680 6.315 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 19 . 1555 . 1 1 5 PHE H H -0.298 2.669 4.425 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 19 . 1556 . 1 1 5 PHE HA H -2.424 2.547 3.683 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 19 . 1557 . 1 1 5 PHE HB2 H -1.560 4.958 2.089 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 19 . 1558 . 1 1 5 PHE HB3 H -3.221 4.341 2.095 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 19 . 1559 . 1 1 5 PHE HD1 H -4.531 4.407 4.251 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 19 . 1560 . 1 1 5 PHE HD2 H -0.649 6.267 3.947 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 19 . 1561 . 1 1 5 PHE HE1 H -4.988 5.651 6.336 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 19 . 1562 . 1 1 5 PHE HE2 H -1.110 7.511 6.023 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 19 . 1563 . 1 1 5 PHE HZ H -3.288 7.228 7.219 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 19 . 1564 . 1 1 5 PHE N N -0.425 3.080 3.487 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 19 . 1565 . 1 1 5 PHE O O -1.358 2.393 0.655 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 19 . 1566 . 1 1 6 ASP C C -2.184 -0.322 -0.279 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 19 . 1567 . 1 1 6 ASP CA C -3.292 0.300 0.623 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 19 . 1568 . 1 1 6 ASP CB C -4.310 1.084 -0.224 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 19 . 1569 . 1 1 6 ASP CG C -5.401 0.208 -0.770 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 19 . 1570 . 1 1 6 ASP H H -3.282 0.986 2.626 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 19 . 1571 . 1 1 6 ASP HA H -3.819 -0.546 1.082 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 19 . 1572 . 1 1 6 ASP HB2 H -4.749 1.881 0.384 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 19 . 1573 . 1 1 6 ASP HB3 H -3.769 1.552 -1.056 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 19 . 1574 . 1 1 6 ASP N N -2.861 1.176 1.752 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 19 . 1575 . 1 1 6 ASP O O -2.419 -0.649 -1.456 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 19 . 1576 . 1 1 6 ASP OD1 O -5.722 0.448 -1.935 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 19 . 1577 . 1 1 6 ASP OD2 O -5.943 -0.673 -0.052 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 . 20 . 1578 . 1 1 1 GLY C C 1.208 -1.593 -0.127 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30344_6azg 1 . 20 . 1579 . 1 1 1 GLY CA C -0.161 -1.548 -0.776 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30344_6azg 1 . 20 . 1580 . 1 1 1 GLY H1 H -0.883 -1.232 1.246 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30344_6azg 1 . 20 . 1581 . 1 1 1 GLY HA2 H -0.432 -2.535 -1.133 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30344_6azg 1 . 20 . 1582 . 1 1 1 GLY HA3 H -0.185 -0.828 -1.628 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30344_6azg 1 . 20 . 1583 . 1 1 1 GLY N N -1.115 -1.094 0.234 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30344_6azg 1 . 20 . 1584 . 1 1 1 GLY O O 1.279 -1.840 1.083 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30344_6azg 1 . 20 . 1585 . 1 1 2 SER C C 3.877 -0.058 0.620 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c30344_6azg 1 . 20 . 1586 . 1 1 2 SER CA C 3.640 -1.285 -0.322 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c30344_6azg 1 . 20 . 1587 . 1 1 2 SER CB C 4.688 -1.230 -1.424 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c30344_6azg 1 . 20 . 1588 . 1 1 2 SER H H 2.186 -1.185 -1.890 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c30344_6azg 1 . 20 . 1589 . 1 1 2 SER HA H 3.797 -2.194 0.271 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c30344_6azg 1 . 20 . 1590 . 1 1 2 SER HB2 H 5.619 -0.748 -1.110 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c30344_6azg 1 . 20 . 1591 . 1 1 2 SER HB3 H 4.920 -2.244 -1.732 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c30344_6azg 1 . 20 . 1592 . 1 1 2 SER HG H 4.856 -0.635 -3.275 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c30344_6azg 1 . 20 . 1593 . 1 1 2 SER N N 2.273 -1.340 -0.891 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c30344_6azg 1 . 20 . 1594 . 1 1 2 SER O O 4.591 -0.192 1.621 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c30344_6azg 1 . 20 . 1595 . 1 1 2 SER OG O 4.207 -0.522 -2.572 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c30344_6azg 1 . 20 . 1596 . 1 1 3 PRO C C 2.712 2.020 2.606 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30344_6azg 1 . 20 . 1597 . 1 1 3 PRO CA C 3.514 2.228 1.306 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30344_6azg 1 . 20 . 1598 . 1 1 3 PRO CB C 3.018 3.487 0.599 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30344_6azg 1 . 20 . 1599 . 1 1 3 PRO CD C 2.618 1.723 -0.872 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30344_6azg 1 . 20 . 1600 . 1 1 3 PRO CG C 3.025 3.148 -0.838 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30344_6azg 1 . 20 . 1601 . 1 1 3 PRO HA H 4.569 2.343 1.550 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30344_6azg 1 . 20 . 1602 . 1 1 3 PRO HB2 H 2.021 3.752 0.929 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30344_6azg 1 . 20 . 1603 . 1 1 3 PRO HB3 H 3.671 4.310 0.778 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30344_6azg 1 . 20 . 1604 . 1 1 3 PRO HD2 H 1.537 1.635 -0.761 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30344_6azg 1 . 20 . 1605 . 1 1 3 PRO HD3 H 2.941 1.258 -1.792 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30344_6azg 1 . 20 . 1606 . 1 1 3 PRO HG2 H 2.347 3.794 -1.384 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30344_6azg 1 . 20 . 1607 . 1 1 3 PRO HG3 H 4.045 3.250 -1.226 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30344_6azg 1 . 20 . 1608 . 1 1 3 PRO N N 3.335 1.165 0.294 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30344_6azg 1 . 20 . 1609 . 1 1 3 PRO O O 2.188 0.976 2.821 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30344_6azg 1 . 20 . 1610 . 1 1 4 LEU C C 0.270 2.848 4.190 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30344_6azg 1 . 20 . 1611 . 1 1 4 LEU CA C 1.745 3.005 4.609 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30344_6azg 1 . 20 . 1612 . 1 1 4 LEU CB C 1.875 4.245 5.459 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30344_6azg 1 . 20 . 1613 . 1 1 4 LEU CD1 C 3.422 5.935 6.458 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30344_6azg 1 . 20 . 1614 . 1 1 4 LEU CD2 C 3.719 3.522 7.022 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30344_6azg 1 . 20 . 1615 . 1 1 4 LEU CG C 3.320 4.505 5.909 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30344_6azg 1 . 20 . 1616 . 1 1 4 LEU H H 3.056 3.939 3.229 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30344_6azg 1 . 20 . 1617 . 1 1 4 LEU HA H 2.027 2.118 5.192 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30344_6azg 1 . 20 . 1618 . 1 1 4 LEU HB2 H 1.566 5.103 4.860 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30344_6azg 1 . 20 . 1619 . 1 1 4 LEU HB3 H 1.193 4.150 6.314 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30344_6azg 1 . 20 . 1620 . 1 1 4 LEU HD11 H 4.371 6.090 6.923 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30344_6azg 1 . 20 . 1621 . 1 1 4 LEU HD12 H 2.629 6.090 7.188 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30344_6azg 1 . 20 . 1622 . 1 1 4 LEU HD13 H 3.328 6.675 5.652 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30344_6azg 1 . 20 . 1623 . 1 1 4 LEU HD21 H 3.774 2.512 6.631 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30344_6azg 1 . 20 . 1624 . 1 1 4 LEU HD22 H 2.966 3.549 7.811 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30344_6azg 1 . 20 . 1625 . 1 1 4 LEU HD23 H 4.702 3.807 7.417 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30344_6azg 1 . 20 . 1626 . 1 1 4 LEU HG H 3.992 4.410 5.061 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30344_6azg 1 . 20 . 1627 . 1 1 4 LEU N N 2.600 3.082 3.426 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30344_6azg 1 . 20 . 1628 . 1 1 4 LEU O O -0.507 2.283 4.920 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30344_6azg 1 . 20 . 1629 . 1 1 5 PHE C C -1.597 1.761 2.019 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c30344_6azg 1 . 20 . 1630 . 1 1 5 PHE CA C -1.366 3.221 2.429 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c30344_6azg 1 . 20 . 1631 . 1 1 5 PHE CB C -1.445 4.115 1.177 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c30344_6azg 1 . 20 . 1632 . 1 1 5 PHE CD1 C -3.668 5.220 1.499 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c30344_6azg 1 . 20 . 1633 . 1 1 5 PHE CD2 C -3.332 3.855 -0.453 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c30344_6azg 1 . 20 . 1634 . 1 1 5 PHE CE1 C -4.991 5.503 1.109 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c30344_6azg 1 . 20 . 1635 . 1 1 5 PHE CE2 C -4.677 4.130 -0.900 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c30344_6azg 1 . 20 . 1636 . 1 1 5 PHE CG C -2.838 4.403 0.728 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c30344_6azg 1 . 20 . 1637 . 1 1 5 PHE CZ C -5.519 4.952 -0.098 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c30344_6azg 1 . 20 . 1638 . 1 1 5 PHE H H 0.648 3.812 2.529 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c30344_6azg 1 . 20 . 1639 . 1 1 5 PHE HA H -2.106 3.529 3.180 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c30344_6azg 1 . 20 . 1640 . 1 1 5 PHE HB2 H -0.970 5.067 1.398 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c30344_6azg 1 . 20 . 1641 . 1 1 5 PHE HB3 H -0.884 3.665 0.337 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c30344_6azg 1 . 20 . 1642 . 1 1 5 PHE HD1 H -3.294 5.667 2.407 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c30344_6azg 1 . 20 . 1643 . 1 1 5 PHE HD2 H -2.676 3.228 -1.032 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c30344_6azg 1 . 20 . 1644 . 1 1 5 PHE HE1 H -5.611 6.116 1.704 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c30344_6azg 1 . 20 . 1645 . 1 1 5 PHE HE2 H -5.025 3.710 -1.850 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c30344_6azg 1 . 20 . 1646 . 1 1 5 PHE HZ H -6.542 5.176 -0.396 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c30344_6azg 1 . 20 . 1647 . 1 1 5 PHE N N -0.047 3.347 3.026 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c30344_6azg 1 . 20 . 1648 . 1 1 5 PHE O O -0.675 0.943 2.152 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c30344_6azg 1 . 20 . 1649 . 1 1 6 ASP C C -2.232 -0.447 -0.093 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30344_6azg 1 . 20 . 1650 . 1 1 6 ASP CA C -3.084 0.067 1.093 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30344_6azg 1 . 20 . 1651 . 1 1 6 ASP CB C -4.576 0.067 0.752 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30344_6azg 1 . 20 . 1652 . 1 1 6 ASP CG C -5.345 -0.989 1.485 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30344_6azg 1 . 20 . 1653 . 1 1 6 ASP H H -3.472 2.139 1.400 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30344_6azg 1 . 20 . 1654 . 1 1 6 ASP HA H -2.914 -0.624 1.925 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30344_6azg 1 . 20 . 1655 . 1 1 6 ASP HB2 H -5.025 1.031 1.020 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30344_6azg 1 . 20 . 1656 . 1 1 6 ASP HB3 H -4.715 -0.097 -0.321 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30344_6azg 1 . 20 . 1657 . 1 1 6 ASP N N -2.771 1.431 1.522 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30344_6azg 1 . 20 . 1658 . 1 1 6 ASP O O -2.559 -0.250 -1.278 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30344_6azg 1 . 20 . 1659 . 1 1 6 ASP OD1 O -6.402 -0.656 2.095 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30344_6azg 1 . 20 . 1660 . 1 1 6 ASP OD2 O -4.928 -2.131 1.444 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30344_6azg 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c30344_6azg _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 6azg.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30344_6azg 1 1 6azg.mr . . XPLOR/CNS 2 unknown 'Not applicable' 'Not applicable' 0 c30344_6azg 1 1 6azg.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 1 c30344_6azg 1 1 6azg.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30344_6azg 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c30344_6azg _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c30344_6azg 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 2 2 SER CA C . . 1 1 2 2 SER C C . . 1 1 3 3 PRO N N . . 1 1 3 3 PRO CA C . -80.0 80.0 . . . A . 2 SER CA . . A . 2 SER C . . A . 3 PRO N . . A . 3 PRO CA . . . 2 . CA . . . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . c30344_6azg 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 c30344_6azg _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 DE NOVO PROTEIN 11-SEP-17 6AZG *TITLE PAWL-DERIVED PEPTIDE PLP-10 (CIS CONFORMER) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GLY-SER-PRO-LEU-PHE-ASP; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: ZINNIA VIOLACEA; *SOURCE 4 ORGANISM_TAXID: 34245 *KEYWDS ORBITIDE, CYCLIC PEPTIDE, PLANT PEPTIDE, BURIED PEPTIDE, DE NOVO *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.FISHER,J.S.MYLNE,M.J.HOWARD *REVDAT 1 07-MAR-18 6AZG 0' save_