data_c30451_6d2h ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30451_6d2h _Entry.Title ; Three-Dimensional Structures of [Phe3]Cm-p1 analogs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-13 _Entry.Accession_date 2018-04-13 _Entry.Last_release_date 2018-05-24 _Entry.Original_release_date 2018-05-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' c30451_6d2h stop_ 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 E. Alves E. S.F. . . c30451_6d2h 2 L. Liao L. M. . . c30451_6d2h stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIFUNGAL PROTEIN' . c30451_6d2h 'SDS micelles' . c30451_6d2h 'antifungal peptide' . c30451_6d2h stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30451_6d2h spectral_peak_list 3 c30451_6d2h stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 29 c30451_6d2h '1H chemical shifts' 53 c30451_6d2h 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 . . 2019-04-09 . original BMRB . c30451_6d2h stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6D2H . c30451_6d2h stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30451_6d2h _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 ; Three-Dimensional Structures of Cm-p1 and [Phe 3]Cm-p1 analogs ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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 E. Alves E. S.F. . . c30451_6d2h 1 2 O. Carvalho O. R. . . c30451_6d2h 1 3 O. Franco O. L. . . c30451_6d2h 1 4 s. Freitas s. M. . . c30451_6d2h 1 5 A. Oliveira A. L. . . c30451_6d2h 1 6 R. Verly R. M. . . c30451_6d2h 1 7 L. Liao L. M. . . c30451_6d2h 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30451_6d2h _Assembly.ID 1 _Assembly.Name SER-ARG-PHE-GLU-LEU-ILE-VAL-HIS-GLN-ARG _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c30451_6d2h 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30451_6d2h _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SRFELIVHQRX ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _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 1285.498 _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 . SER . c30451_6d2h 1 2 . ARG . c30451_6d2h 1 3 . PHE . c30451_6d2h 1 4 . GLU . c30451_6d2h 1 5 . LEU . c30451_6d2h 1 6 . ILE . c30451_6d2h 1 7 . VAL . c30451_6d2h 1 8 . HIS . c30451_6d2h 1 9 . GLN . c30451_6d2h 1 10 . ARG . c30451_6d2h 1 11 . NH2 . c30451_6d2h 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 . SER 1 1 c30451_6d2h 1 . ARG 2 2 c30451_6d2h 1 . PHE 3 3 c30451_6d2h 1 . GLU 4 4 c30451_6d2h 1 . LEU 5 5 c30451_6d2h 1 . ILE 6 6 c30451_6d2h 1 . VAL 7 7 c30451_6d2h 1 . HIS 8 8 c30451_6d2h 1 . GLN 9 9 c30451_6d2h 1 . ARG 10 10 c30451_6d2h 1 . NH2 11 11 c30451_6d2h 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 c30451_6d2h _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 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . c30451_6d2h 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 c30451_6d2h _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' . . . . . . . . . . . . . . . . c30451_6d2h 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30451_6d2h _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b c30451_6d2h NH2 N SMILES ACDLabs 10.04 c30451_6d2h NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30451_6d2h NH2 [NH2] SMILES CACTVS 3.341 c30451_6d2h NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30451_6d2h NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30451_6d2h NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30451_6d2h NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c30451_6d2h NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30451_6d2h NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c30451_6d2h NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30451_6d2h NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30451_6d2h NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . c30451_6d2h NH2 2 . SING N HN2 no N 2 . c30451_6d2h NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30451_6d2h _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM cm-p1_analogous, 100 mM [U-98% 2H] SDS-d25, 5 % v/v [U-98% 2H] TMSP-d4, 90 % v/v H2O, 10 % v/v [U-99% 2H] D2O, 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 cm-p1_analogous 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . c30451_6d2h 1 2 SDS-d25 '[U-98% 2H]' . . . . . . 100 . . mM . . . . c30451_6d2h 1 3 TMSP-d4 '[U-98% 2H]' . . . . . . 5 . . '% v/v' . . . . c30451_6d2h 1 4 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . c30451_6d2h 1 5 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . c30451_6d2h 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 c30451_6d2h _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 . pH c30451_6d2h 1 pressure 1 . atm c30451_6d2h 1 temperature 298 . K c30451_6d2h 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30451_6d2h _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . c30451_6d2h 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30451_6d2h 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30451_6d2h _Software.ID 2 _Software.Type . _Software.Name X-PLOR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . c30451_6d2h 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c30451_6d2h 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30451_6d2h _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . c30451_6d2h 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c30451_6d2h 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID c30451_6d2h _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c30451_6d2h 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30451_6d2h 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID c30451_6d2h _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . c30451_6d2h 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c30451_6d2h 5 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 c30451_6d2h _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c30451_6d2h _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 . 500 . . . c30451_6d2h 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 c30451_6d2h _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30451_6d2h 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30451_6d2h 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30451_6d2h 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 c30451_6d2h _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 TMS 'methyl carbons' . . . . Hz 0 internal direct 1.0 . . . . . c30451_6d2h 1 H 1 TMS protons . . . . Hz 0 internal direct 1.0 . . . . . c30451_6d2h 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 c30451_6d2h _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-1H TOCSY' . . . c30451_6d2h 1 2 '2D 1H-1H NOESY' . . . c30451_6d2h 1 3 '2D 1H-13C HSQC' . . . c30451_6d2h 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 SER H H 1 7.6250 0.0000 . 1 . . . . A 1 SER H1 . c30451_6d2h 1 2 . 1 1 1 1 SER HA H 1 4.1360 0.0000 . 1 . . . . A 1 SER HA . c30451_6d2h 1 3 . 1 1 1 1 SER CA C 13 62.5360 0.0000 . 1 . . . . A 1 SER CA . c30451_6d2h 1 4 . 1 1 1 1 SER CB C 13 63.3700 0.0000 . 1 . . . . A 1 SER CB . c30451_6d2h 1 5 . 1 1 2 2 ARG H H 1 8.5210 0.0000 . 1 . . . . A 2 ARG H . c30451_6d2h 1 6 . 1 1 2 2 ARG HA H 1 4.1940 0.0000 . 1 . . . . A 2 ARG HA . c30451_6d2h 1 7 . 1 1 2 2 ARG HB2 H 1 1.8080 0.0000 . 1 . . . . A 2 ARG HB2 . c30451_6d2h 1 8 . 1 1 2 2 ARG HE H 1 7.9540 0.0000 . 1 . . . . A 2 ARG HE . c30451_6d2h 1 9 . 1 1 2 2 ARG HH21 H 1 7.6560 0.0000 . 1 . . . . A 2 ARG HH21 . c30451_6d2h 1 10 . 1 1 2 2 ARG CA C 13 56.6150 0.0000 . 1 . . . . A 2 ARG CA . c30451_6d2h 1 11 . 1 1 2 2 ARG CB C 13 30.5290 0.0000 . 1 . . . . A 2 ARG CB . c30451_6d2h 1 12 . 1 1 2 2 ARG CD C 13 43.5920 0.0000 . 1 . . . . A 2 ARG CD . c30451_6d2h 1 13 . 1 1 3 3 PHE H H 1 7.9210 0.0000 . 1 . . . . A 3 PHE H . c30451_6d2h 1 14 . 1 1 3 3 PHE HA H 1 4.3390 0.0000 . 1 . . . . A 3 PHE HA . c30451_6d2h 1 15 . 1 1 3 3 PHE HB2 H 1 3.0490 0.0000 . 1 . . . . A 3 PHE HB2 . c30451_6d2h 1 16 . 1 1 3 3 PHE HD1 H 1 7.3210 0.0000 . 1 . . . . A 3 PHE HD1 . c30451_6d2h 1 17 . 1 1 3 3 PHE HE1 H 1 7.6720 0.0000 . 1 . . . . A 3 PHE HE1 . c30451_6d2h 1 18 . 1 1 3 3 PHE CA C 13 59.9640 0.0000 . 1 . . . . A 3 PHE CA . c30451_6d2h 1 19 . 1 1 3 3 PHE CB C 13 39.1300 0.0000 . 1 . . . . A 3 PHE CB . c30451_6d2h 1 20 . 1 1 4 4 GLU H H 1 8.0440 0.0000 . 1 . . . . A 4 GLU H . c30451_6d2h 1 21 . 1 1 4 4 GLU HA H 1 3.7820 0.0000 . 1 . . . . A 4 GLU HA . c30451_6d2h 1 22 . 1 1 4 4 GLU HB2 H 1 1.7080 0.0000 . 1 . . . . A 4 GLU HB2 . c30451_6d2h 1 23 . 1 1 4 4 GLU HG2 H 1 2.3580 0.0000 . 1 . . . . A 4 GLU HG2 . c30451_6d2h 1 24 . 1 1 4 4 GLU CA C 13 58.7840 0.0000 . 1 . . . . A 4 GLU CA . c30451_6d2h 1 25 . 1 1 4 4 GLU CB C 13 29.1870 0.0000 . 1 . . . . A 4 GLU CB . c30451_6d2h 1 26 . 1 1 4 4 GLU CG C 13 32.9840 0.0000 . 1 . . . . A 4 GLU CG . c30451_6d2h 1 27 . 1 1 5 5 LEU H H 1 7.6930 0.0000 . 1 . . . . A 5 LEU H . c30451_6d2h 1 28 . 1 1 5 5 LEU HA H 1 4.1140 0.0000 . 1 . . . . A 5 LEU HA . c30451_6d2h 1 29 . 1 1 5 5 LEU HG H 1 1.8060 0.0000 . 1 . . . . A 5 LEU HG . c30451_6d2h 1 30 . 1 1 5 5 LEU HD11 H 1 0.8590 0.0000 . 1 . . . . A 5 LEU HD11 . c30451_6d2h 1 31 . 1 1 5 5 LEU HD12 H 1 0.8590 0.0000 . 1 . . . . A 5 LEU HD12 . c30451_6d2h 1 32 . 1 1 5 5 LEU HD13 H 1 0.8590 0.0000 . 1 . . . . A 5 LEU HD13 . c30451_6d2h 1 33 . 1 1 5 5 LEU HD21 H 1 0.9070 0.0000 . 1 . . . . A 5 LEU HD21 . c30451_6d2h 1 34 . 1 1 5 5 LEU HD22 H 1 0.9070 0.0000 . 1 . . . . A 5 LEU HD22 . c30451_6d2h 1 35 . 1 1 5 5 LEU HD23 H 1 0.9070 0.0000 . 1 . . . . A 5 LEU HD23 . c30451_6d2h 1 36 . 1 1 5 5 LEU CA C 13 57.9130 0.0000 . 1 . . . . A 5 LEU CA . c30451_6d2h 1 37 . 1 1 5 5 LEU CB C 13 41.8620 0.0000 . 1 . . . . A 5 LEU CB . c30451_6d2h 1 38 . 1 1 5 5 LEU CD1 C 13 23.9100 0.0000 . 1 . . . . A 5 LEU CD1 . c30451_6d2h 1 39 . 1 1 5 5 LEU CD2 C 13 24.6900 0.0000 . 1 . . . . A 5 LEU CD2 . c30451_6d2h 1 40 . 1 1 6 6 ILE H H 1 7.5520 0.0000 . 1 . . . . A 6 ILE H . c30451_6d2h 1 41 . 1 1 6 6 ILE HA H 1 3.8320 0.0000 . 1 . . . . A 6 ILE HA . c30451_6d2h 1 42 . 1 1 6 6 ILE HB H 1 1.9320 0.0000 . 1 . . . . A 6 ILE HB . c30451_6d2h 1 43 . 1 1 6 6 ILE HG12 H 1 1.6450 0.0000 . 1 . . . . A 6 ILE HG12 . c30451_6d2h 1 44 . 1 1 6 6 ILE HD11 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HD11 . c30451_6d2h 1 45 . 1 1 6 6 ILE HD12 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HD12 . c30451_6d2h 1 46 . 1 1 6 6 ILE HD13 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HD13 . c30451_6d2h 1 47 . 1 1 6 6 ILE CA C 13 64.3410 0.0000 . 1 . . . . A 6 ILE CA . c30451_6d2h 1 48 . 1 1 6 6 ILE CB C 13 38.1470 0.0000 . 1 . . . . A 6 ILE CB . c30451_6d2h 1 49 . 1 1 7 7 VAL H H 1 7.7490 0.0000 . 1 . . . . A 7 VAL H . c30451_6d2h 1 50 . 1 1 7 7 VAL HA H 1 3.9520 0.0000 . 1 . . . . A 7 VAL HA . c30451_6d2h 1 51 . 1 1 7 7 VAL HB H 1 1.9040 0.0000 . 1 . . . . A 7 VAL HB . c30451_6d2h 1 52 . 1 1 7 7 VAL HG11 H 1 0.8960 0.0000 . 1 . . . . A 7 VAL HG11 . c30451_6d2h 1 53 . 1 1 7 7 VAL HG12 H 1 0.8960 0.0000 . 1 . . . . A 7 VAL HG12 . c30451_6d2h 1 54 . 1 1 7 7 VAL HG13 H 1 0.8960 0.0000 . 1 . . . . A 7 VAL HG13 . c30451_6d2h 1 55 . 1 1 7 7 VAL HG21 H 1 0.8210 0.0000 . 1 . . . . A 7 VAL HG21 . c30451_6d2h 1 56 . 1 1 7 7 VAL HG22 H 1 0.8210 0.0000 . 1 . . . . A 7 VAL HG22 . c30451_6d2h 1 57 . 1 1 7 7 VAL HG23 H 1 0.8210 0.0000 . 1 . . . . A 7 VAL HG23 . c30451_6d2h 1 58 . 1 1 7 7 VAL CA C 13 63.3940 0.0000 . 1 . . . . A 7 VAL CA . c30451_6d2h 1 59 . 1 1 7 7 VAL CB C 13 31.3530 0.0000 . 1 . . . . A 7 VAL CB . c30451_6d2h 1 60 . 1 1 7 7 VAL CG1 C 13 21.2970 0.0000 . 1 . . . . A 7 VAL CG1 . c30451_6d2h 1 61 . 1 1 7 7 VAL CG2 C 13 22.0080 0.0000 . 1 . . . . A 7 VAL CG2 . c30451_6d2h 1 62 . 1 1 8 8 HIS H H 1 7.9930 0.0000 . 1 . . . . A 8 HIS H . c30451_6d2h 1 63 . 1 1 8 8 HIS HA H 1 4.5370 0.0000 . 1 . . . . A 8 HIS HA . c30451_6d2h 1 64 . 1 1 8 8 HIS HD1 H 1 7.3490 0.0000 . 1 . . . . A 8 HIS HD1 . c30451_6d2h 1 65 . 1 1 8 8 HIS HE1 H 1 8.6270 0.0000 . 1 . . . . A 8 HIS HE1 . c30451_6d2h 1 66 . 1 1 8 8 HIS CA C 13 57.2570 0.0000 . 1 . . . . A 8 HIS CA . c30451_6d2h 1 67 . 1 1 8 8 HIS CB C 13 28.3320 0.0000 . 1 . . . . A 8 HIS CB . c30451_6d2h 1 68 . 1 1 9 9 GLN H H 1 8.0790 0.0000 . 1 . . . . A 9 GLN H . c30451_6d2h 1 69 . 1 1 9 9 GLN HA H 1 4.2330 0.0000 . 1 . . . . A 9 GLN HA . c30451_6d2h 1 70 . 1 1 9 9 GLN HB2 H 1 2.0750 0.0000 . 1 . . . . A 9 GLN HB2 . c30451_6d2h 1 71 . 1 1 9 9 GLN CA C 13 57.3010 0.0000 . 1 . . . . A 9 GLN CA . c30451_6d2h 1 72 . 1 1 9 9 GLN CB C 13 28.4140 0.0000 . 1 . . . . A 9 GLN CB . c30451_6d2h 1 73 . 1 1 9 9 GLN CG C 13 33.2060 0.0000 . 1 . . . . A 9 GLN CG . c30451_6d2h 1 74 . 1 1 10 10 ARG HA H 1 4.2010 0.0000 . 1 . . . . A 10 ARG HA . c30451_6d2h 1 75 . 1 1 10 10 ARG HB2 H 1 1.9330 0.0000 . 1 . . . . A 10 ARG HB2 . c30451_6d2h 1 76 . 1 1 10 10 ARG HG2 H 1 1.7040 0.0000 . 1 . . . . A 10 ARG HG2 . c30451_6d2h 1 77 . 1 1 10 10 ARG HD2 H 1 3.1290 0.0000 . 1 . . . . A 10 ARG HD2 . c30451_6d2h 1 78 . 1 1 10 10 ARG CA C 13 56.2790 0.0000 . 1 . . . . A 10 ARG CA . c30451_6d2h 1 79 . 1 1 10 10 ARG CB C 13 36.1390 0.0000 . 1 . . . . A 10 ARG CB . c30451_6d2h 1 80 . 1 1 10 10 ARG CG C 13 27.2200 0.0000 . 1 . . . . A 10 ARG CG . c30451_6d2h 1 81 . 1 1 10 10 ARG CD C 13 43.2460 0.0000 . 1 . . . . A 10 ARG CD . c30451_6d2h 1 82 . 1 1 11 11 NH2 HN1 H 1 7.8460 0.0000 . 1 . . . . A 11 NH2 HN1 . c30451_6d2h 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 c30451_6d2h _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-1H TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1Hx 13C hsqc216.nv 6009.61523437 11312.2167969 500.131988525 125.762001038 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 0 {5.HA} 4.10608 0.02851 0.03395 ++ {0.0} {} {5.CA} 57.91257 0.46179 0.63915 ++ {0.0} {} 0.0 16.7123 0 {} 0 1 {2.HA} 4.18222 0.02196 0.03745 ++ {0.0} {} {2.CA} 56.61466 0.38085 0.69969 ++ {0.0} {} 0.0 18.3623 0 {} 0 2 {8.HA} 4.51329 0.01297 0.02650 ++ {0.0} {} {8.CA} 57.25703 0.41550 0.56590 ++ {0.0} {} 0.0 14.7939 0 {} 0 3 {9.HA} 4.20821 0.01528 0.04086 ++ {0.0} {} {9.CA} 57.30085 1.00791 0.83314 ++ {0.0} {} 0.0 14.0645 0 {} 0 4 {10.HA} 4.19863 0.04399 0.04387 ++ {0.0} {} {10.CA} 56.27873 0.43329 0.49260 ++ {0.0} {} 0.0 17.0535 0 {} 0 5 {7.HA} 3.97000 0.03935 0.05622 ++ {0.0} {} {7.CA} 63.39376 0.67849 0.86764 ++ {0.0} {} 0.0 10.6943 0 {} 0 6 {1.HA} 4.13370 0.00828 0.05774 ++ {0.0} {} {1.CA} 62.53637 0.33304 0.52824 ++ {0.0} {} 0.0 11.2284 0 {} 0 7 {3.HA} 4.31842 0.04188 0.03365 ++ {0.0} {} {3.CA} 59.96357 0.48793 0.61619 ++ {0.0} {} 0.0 15.6945 0 {} 0 8 {4.HA} 3.76241 0.04535 0.03661 ++ {0.0} {} {4.CA} 58.78368 0.69653 0.67625 ++ {0.0} {} 0.0 12.2092 0 {} 0 9 {6.HA} 3.82774 0.02081 0.03065 ++ {0.0} {} {6.CA} 64.34061 1.05722 0.86224 ++ {0.0} {} 0.0 12.1764 0 {} 0 10 {} 3.23887 0.01551 0.03856 ++ {0.0} {} {} 58.83228 0.47455 0.67257 ++ {0.0} {} 0.0 8.2948 0 {} 0 11 {5.HD1} 0.86693 0.03988 0.06878 ++ {0.0} {} {5.CD1} 23.91011 0.55818 1.27508 ++ {0.0} {} 0.0 118.0010 0 {} 0 12 {5.HB1} 1.81085 0.04756 0.05337 ++ {0.0} {} {5.CB} 41.86225 0.48475 0.83035 ++ {0.0} {} 0.0 19.3689 0 {} 0 13 {6.HB} 1.92379 0.04570 0.03254 ++ {0.0} {} {6.CB} 38.14722 0.40487 0.67429 ++ {0.0} {} 0.0 18.3732 0 {} 0 14 {6.HD} 0.85074 0.03160 0.07503 ++ {0.0} {} {6.CD} 13.18775 0.41784 1.06873 ++ {0.0} {} 0.0 67.3033 0 {} 0 15 {9.HG1} 2.42138 0.03059 0.04369 ++ {0.0} {} {9.CG} 33.97940 0.44878 0.60092 ++ {0.0} {} 0.0 26.4843 0 {} 0 16 {9.HB1} 2.16075 0.04589 0.05665 ++ {0.0} {} {9.CB} 29.04214 0.39015 0.74480 ++ {0.0} {} 0.0 28.6954 0 {} 0 17 {9.HB2} 2.08904 0.08346 0.10258 ++ {0.0} {} {9.CB} 27.78504 0.59810 0.97455 ++ {0.0} {} 0.0 31.6584 0 {} 0 18 {1.HB1} 3.97465 0.06503 0.08831 ++ {0.0} {} {1.CB} 63.36962 0.39963 0.60098 ++ {0.0} {} 0.0 24.7890 0 {} 0 19 {2.HD1} 3.12661 0.05750 0.08214 ++ {0.0} {} {2.CD} 43.59218 0.80221 0.94887 ++ {0.0} {} 0.0 37.6612 0 {} 0 20 {2.HB2} 1.82170 0.04388 0.03820 ++ {0.0} {} {2.CB} 30.52919 0.57587 0.73368 ++ {0.0} {} 0.0 25.7046 0 {} 0 21 {3.HB1} 3.08806 0.03704 0.02661 ++ {0.0} {} {3.CB} 39.12971 0.61335 0.61513 ++ {0.0} {} 0.0 19.5517 0 {} 0 22 {4.HB1} 2.10328 0.02464 0.03520 ++ {0.0} {} {4.CB} 29.18731 0.78313 0.73556 ++ {0.0} {} 0.0 13.9723 0 {} 0 23 {10.HB2} 1.69896 0.04188 0.04293 ++ {0.0} {} {10.CB} 41.71753 0.63734 0.93561 ++ {0.0} {} 0.0 15.9999 0 {} 0 24 {7.HB} 1.89074 0.04650 0.03411 ++ {0.0} {} {7.CB} 31.35256 0.50238 0.44953 ++ {0.0} {} 0.0 14.5390 0 {} 0 25 {7.HG1} 0.81038 0.02798 0.10097 ++ {0.0} {} {7.CG} 21.19399 0.56396 1.08482 ++ {0.0} {} 0.0 45.2701 -1 {} 0 26 {8.HB1} 3.25463 0.06420 0.08214 ++ {0.0} {} {8.CB} 28.33216 0.42032 0.82022 ++ {0.0} {} 0.0 20.1811 0 {} 0 27 {9.HG1} 2.46193 0.08306 0.08877 ++ {0.0} {} {9.CG} 32.76245 0.46530 0.51976 ++ {0.0} {} 0.0 17.4118 0 {} 0 28 {10.HB1} 1.92708 0.04092 0.10792 ++ {0.0} {} {10.CB} 30.56022 0.97764 0.72939 ++ {0.0} {} 0.0 20.1383 0 {} 0 29 {10.HG1} 1.69264 0.06896 0.10717 ++ {0.0} {} {10.CG} 27.22015 0.54466 1.20953 ++ {0.0} {} 0.0 56.2588 0 {} 0 30 {} 0.77893 0.01865 0.03741 ++ {0.0} {} {} 15.49008 0.60058 1.09746 ++ {0.0} {} 0.0 126.0963 0 {} 0 31 {6.HG} 0.86124 0.02533 0.06264 ++ {0.0} {} {6.CG} 17.43613 0.42455 0.98277 ++ {0.0} {} 0.0 83.5461 0 {} 0 32 {7.HG1} 0.71446 0.02670 0.07875 ++ {0.0} {} {7.CG1} 21.29730 0.41281 1.01614 ++ {0.0} {} 0.0 88.8206 0 {} 0 33 {7.HG2} 0.67197 0.03725 0.05233 ++ {0.0} {} {7.CG2} 22.00834 0.41911 0.93538 ++ {0.0} {} 0.0 59.9240 0 {} 0 34 {5.HD2} 0.91973 0.03988 0.06704 ++ {0.0} {} {5.CD2} 24.69030 0.55818 1.23478 ++ {0.0} {} 0.0 118.0010 0 {} 0 35 {} 1.26892 0.02726 0.04372 ++ {0.0} {} {} 27.16791 0.42978 0.92436 ++ {0.0} {} 0.0 99.2075 0 {} 0 36 {} 1.19831 0.02638 0.04116 ++ {0.0} {} {} 24.27768 0.55842 1.08183 ++ {0.0} {} 0.0 77.5461 0 {} 0 37 {} 1.57536 0.03000 0.04426 ++ {0.0} {} {} 30.83868 0.38567 1.02550 ++ {0.0} {} 0.0 100.7145 0 {} 0 38 {} 1.19595 0.02677 0.08735 ++ {0.0} {} {} 31.40681 0.47533 1.37297 ++ {0.0} {} 0.0 441.3851 0 {} 0 39 {} 1.16121 0.01622 0.06810 ++ {0.0} {} {} 33.55269 0.40375 0.92721 ++ {0.0} {} 0.0 97.3807 0 {} 0 40 {4.HG1} 2.36879 0.03620 0.03915 ++ {0.0} {} {4.CG} 32.98367 0.96695 1.02534 ++ {0.0} {} 0.0 21.5765 0 {} 0 41 {9.HG2} 2.18938 0.01460 0.04280 ++ {0.0} {} {9.CG} 32.87591 0.34573 0.81385 ++ {0.0} {} 0.0 35.4998 0 {} 0 42 {10.HD1} 3.16993 0.06267 0.12098 ++ {0.0} {} {10.CD} 43.24552 0.66192 1.19073 ++ {0.0} {} 0.0 64.5789 0 {} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 6009.615 Hz . . . 2347.81 . . c30451_6d2h 1 2 . . H 1 H . . 6009.594 Hz . . . 2347.81 . . c30451_6d2h 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 c30451_6d2h _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 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1Hx 1Hy tocsy600.nv 6009.61523437 6009.61523437 500.131988525 500.131988525 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 0 {2.HN} 8.53338 0.02876 0.05190 ++ {0.0} {} {2.HA} 4.19884 0.07746 0.06357 ++ {0.0} {} 0.0 175.8780 0 {} 0 1 {4.HN} 8.02455 0.03006 0.06114 ++ {0.0} {} {4.HA} 3.77451 0.06943 0.10863 ++ {0.0} {} 0.0 78.2482 0 {} 0 2 {} 7.71705 0.03231 0.05522 ++ {0.0} {} {} 5.20572 0.13908 0.14576 ++ {0.0} {} 0.0 246.6970 -1 {} 0 3 {9.HN} 8.08773 0.03231 0.04471 ++ {0.0} {} {9.HA} 4.22497 0.13908 0.09924 ++ {0.0} {} 0.0 246.6970 0 {} 0 4 {8.HN} 8.00213 0.02405 0.04228 ++ {0.0} {} {8.HA} 4.52759 0.07349 0.10979 ++ {0.0} {} 0.0 164.1180 0 {} 0 5 {3.HN} 7.93619 0.03364 0.06483 ++ {0.0} {} {3.HA} 4.32807 0.06438 0.07809 ++ {0.0} {} 0.0 115.1910 0 {} 0 6 {10.HN} 7.84394 0.03483 0.05816 ++ {0.0} {} {10.HA} 4.20650 0.07792 0.09742 ++ {0.0} {} 0.0 227.3400 0 {} 0 7 {5.HN} 7.69867 0.02853 0.05824 ++ {0.0} {} {5.HA} 4.11287 0.07567 0.10681 ++ {0.0} {} 0.0 200.8480 0 {} 0 8 {1.HT1} 7.64089 0.02044 0.06876 ++ {0.0} {} {1.HA} 4.12449 0.05823 0.07008 ++ {0.0} {} 0.0 141.2520 0 {} 0 9 {6.HN} 7.55633 0.03469 0.04443 ++ {0.0} {} {6.HA} 3.82715 0.09782 0.07197 ++ {0.0} {} 0.0 53.4124 0 {} 0 10 {7.HN} 7.76960 0.03476 0.04868 ++ {0.0} {} {7.HA} 3.93807 0.07206 0.04936 ++ {0.0} {} 0.0 55.7668 0 {} 0 11 {1.HT1} 7.64096 0.02060 0.05449 ++ {0.0} {} {1.HB1} 3.97775 0.06081 0.11816 ++ {0.0} {} 0.0 107.7180 0 {} 0 12 {} 4.18712 0.02728 0.03890 ++ {0.0} {} {} 8.56565 0.05380 0.17191 ++ {0.0} {} 0.0 75.2593 -1 {} 0 13 {} 4.21264 0.05097 0.04475 ++ {0.0} {} {} 8.08688 0.07614 0.11860 ++ {0.0} {} 0.0 116.2700 -1 {} 0 14 {} 4.18942 0.03797 0.05234 ++ {0.0} {} {} 7.85430 0.06329 0.11952 ++ {0.0} {} 0.0 104.7990 -1 {} 0 15 {} 4.10451 0.02942 0.05225 ++ {0.0} {} {} 7.68650 0.11830 0.20600 ++ {0.0} {} 0.0 136.2250 -1 {} 0 16 {} 3.89188 0.04723 0.06747 ++ {0.0} {} {} 7.55171 0.09922 0.10735 ++ {0.0} {} 0.0 42.0391 -1 {} 0 17 {2.HN} 8.53191 0.02854 0.04392 ++ {0.0} {} {2.HB1} 1.96646 0.07499 0.07950 ++ {0.0} {} 0.0 25.5962 0 {} 0 18 {2.HN} 8.52851 0.01279 0.03553 ++ {0.0} {} {2.HB2} 1.81715 0.08649 0.08628 ++ {0.0} {} 0.0 20.9279 0 {} 0 19 {2.HN} 8.53352 0.01635 0.04783 ++ {0.0} {} {2.HG1} 1.54140 0.05124 0.10339 ++ {0.0} {} 0.0 22.1374 0 {} 0 20 {4.HN} 8.02286 0.01587 0.05014 ++ {0.0} {} {4.HB1} 2.08700 0.09857 0.11262 ++ {0.0} {} 0.0 23.5461 0 {} 0 21 {4.HN} 8.10895 0.03565 0.03961 ++ {0.0} {} {4.HB2} 1.70782 0.12632 0.13897 ++ {0.0} {} 0.0 35.0076 -1 {} 0 22 {9.HN} 8.08402 0.03964 0.03683 ++ {0.0} {} {9.HG1} 2.44123 0.07227 0.12220 ++ {0.0} {} 0.0 100.6060 0 {} 0 23 {9.HN} 8.08613 0.03023 0.04862 ++ {0.0} {} {9.HB1} 2.16340 0.15486 0.10361 ++ {0.0} {} 0.0 88.0059 0 {} 0 24 {9.HN} 8.08387 0.03023 0.04107 ++ {0.0} {} {9.HB2} 2.07783 0.15486 0.09435 ++ {0.0} {} 0.0 88.0059 0 {} 0 25 {8.HN} 8.00306 0.03246 0.05190 ++ {0.0} {} {8.HB1} 3.25897 0.08483 0.13284 ++ {0.0} {} 0.0 109.0620 0 {} 0 26 {3.HN} 7.94028 0.02794 0.05172 ++ {0.0} {} {3.HB1} 3.08317 0.12757 0.15188 ++ {0.0} {} 0.0 51.0611 0 {} 0 27 {10.HN} 7.84653 0.03512 0.04132 ++ {0.0} {} {10.HD1} 3.17166 0.06667 0.06324 ++ {0.0} {} 0.0 37.9825 0 {} 0 28 {10.HN} 7.84935 0.02882 0.05590 ++ {0.0} {} {10.HB1} 1.92701 0.16261 0.11040 ++ {0.0} {} 0.0 72.5880 0 {} 0 29 {10.HN} 7.84515 0.02900 0.05809 ++ {0.0} {} {10.HG1} 1.71190 0.09175 0.11058 ++ {0.0} {} 0.0 72.8088 0 {} 0 30 {7.HN} 7.75951 0.02828 0.07091 ++ {0.0} {} {7.HB} 1.90136 0.06365 0.14729 ++ {0.0} {} 0.0 32.5722 0 {} 0 31 {7.HN} 7.75939 0.06424 0.05846 ++ {0.0} {} {7.HG21} 0.69245 0.09857 0.13242 ++ {0.0} {} 0.0 32.1686 0 {} 0 32 {} 7.38076 0.02139 0.02374 ++ {0.0} {} {} 0.58637 0.09857 0.14081 ++ {0.0} {} 0.0 26.8192 -1 {} 0 33 {5.HN} 7.69932 0.02804 0.03612 ++ {0.0} {} {5.HG} 1.82132 0.09857 0.08917 ++ {0.0} {} 0.0 46.0042 0 {} 0 34 {5.HN} 7.70079 0.02540 0.05334 ++ {0.0} {} {5.HB1} 1.69112 0.09857 0.12552 ++ {0.0} {} 0.0 60.6372 0 {} 0 35 {5.HN} 7.69726 0.02844 0.05967 ++ {0.0} {} {5.HD11} 0.86525 0.07928 0.06906 ++ {0.0} {} 0.0 41.4922 0 {} 0 36 {6.HN} 7.55779 0.03591 0.05001 ++ {0.0} {} {6.HB} 1.91845 0.06105 0.10926 ++ {0.0} {} 0.0 46.1505 0 {} 0 37 {6.HN} 7.55678 0.04299 0.06101 ++ {0.0} {} {6.HD11} 0.87175 0.07317 0.07816 ++ {0.0} {} 0.0 60.5021 0 {} 0 38 {2.HH11} 7.06840 0.03324 0.04800 ++ {0.0} {} {2.HG1} 1.50262 0.10173 0.13584 ++ {0.0} {} 0.0 39.9591 0 {} 0 39 {10.HE} 7.19895 0.04274 0.06324 ++ {0.0} {} {10.HB2} 1.70923 0.09484 0.10341 ++ {0.0} {} 0.0 120.2530 0 {} 0 40 {10.HH11} 7.14588 0.03902 0.04169 ++ {0.0} {} {10.HB2} 1.70090 0.07704 0.10452 ++ {0.0} {} 0.0 52.1922 0 {} 0 41 {2.HH11} 7.07052 0.02681 0.04369 ++ {0.0} {} {2.HB2} 1.81995 0.09857 0.09627 ++ {0.0} {} 0.0 39.0694 0 {} 0 42 {10.HE} 7.18263 0.02149 0.03070 ++ {0.0} {} {10.HB1} 1.87167 0.05495 0.04639 ++ {0.0} {} 0.0 34.0561 0 {} 0 43 {} 7.19619 0.03007 0.04296 ++ {0.0} {} {} 1.93642 0.08818 0.06846 ++ {0.0} {} 0.0 35.8555 0 {} 0 44 {10.HN} 7.20135 0.04014 0.06643 ++ {0.0} {} {10.HD1} 3.17244 0.08148 0.11334 ++ {0.0} {} 0.0 282.0640 0 {} 0 45 {2.HH11} 7.07144 0.03757 0.06192 ++ {0.0} {} {2.HD1} 3.12825 0.06526 0.09447 ++ {0.0} {} 0.0 197.8180 0 {} 0 46 {8.HE1} 8.61191 0.01527 0.03096 ++ {0.0} {} {8.HD1} 7.35457 0.05755 0.15533 ++ {0.0} {} 0.0 369.9630 0 {} 0 47 {8.HD1} 7.34270 0.01665 0.03642 ++ {0.0} {} {8.HE1} 8.64149 0.04819 0.15402 ++ {0.0} {} 0.0 254.1450 0 {} 0 48 {3.HE1} 7.66147 0.02171 0.08841 ++ {0.0} {} {3.HD1} 7.31861 0.07494 0.12422 ++ {0.0} {} 0.0 532.3650 0 {} 0 49 {3.HD1} 7.33641 0.04816 0.06232 ++ {0.0} {} {3.HE1} 7.68918 0.07846 0.15968 ++ {0.0} {} 0.0 530.7390 0 {} 0 50 {9.HE21} 7.38276 0.02036 0.05736 ++ {0.0} {} {9.HE22} 6.78616 0.05993 0.07529 ++ {0.0} {} 0.0 189.0520 0 {} 0 51 {9.HE22} 6.77326 0.02534 0.04281 ++ {0.0} {} {9.HE21} 7.39214 0.07322 0.08700 ++ {0.0} {} 0.0 206.1640 0 {} 0 52 {} 7.74916 0.02812 0.04277 ++ {0.0} {} {} 3.59602 0.06524 0.12272 ++ {0.0} {} 0.0 126.7840 -1 {} 0 53 {} 7.08812 0.03902 0.05574 ++ {0.0} {} {} 2.52590 0.06029 0.13738 ++ {0.0} {} 0.0 130.8970 -1 {} 0 54 {} 3.97538 0.04191 0.05750 ++ {0.0} {} {} 7.62950 0.08332 0.10327 ++ {0.0} {} 0.0 67.5856 -1 {} 0 55 {} 3.95259 0.01587 0.02139 ++ {0.0} {} {} 7.01050 0.05744 0.08283 ++ {0.0} {} 0.0 98.2758 -1 {} 0 56 {} 3.82188 0.04849 0.07191 ++ {0.0} {} {} 7.57233 0.06876 0.12526 ++ {0.0} {} 0.0 119.7120 -1 {} 0 57 {} 3.77393 0.02880 0.03524 ++ {0.0} {} {} 8.03061 0.06412 0.07911 ++ {0.0} {} 0.0 71.5681 -1 {} 0 58 {} 3.59043 0.04928 0.05243 ++ {0.0} {} {} 7.76475 0.07419 0.08353 ++ {0.0} {} 0.0 62.7353 -1 {} 0 59 {2.HN} 8.53050 0.00887 0.03044 ++ {0.0} {} {2.HD1} 3.12666 0.04812 0.04465 ++ {0.0} {} 0.0 11.3590 0 {} 0 60 {2.HN} 8.53044 0.01210 0.03575 ++ {0.0} {} {1.HT1} 7.65344 0.13867 0.05348 ++ {0.0} {} 0.0 -11.7425 0 {} 0 61 {2.HN} 8.53036 0.01189 0.06666 ++ {0.0} {} {3.HN} 7.95098 0.08904 0.06077 ++ {0.0} {} 0.0 -12.5171 0 {} 0 62 {} 1.70088 0.05945 0.13201 ++ {0.0} {} {} 4.19191 0.14053 0.25333 ++ {0.0} {} 0.0 137.7810 -1 {} 0 63 {} 1.91704 0.05136 0.07167 ++ {0.0} {} {} 4.20581 0.06933 0.11813 ++ {0.0} {} 0.0 90.4782 -1 {} 0 64 {} 3.14391 0.08068 0.10430 ++ {0.0} {} {} 4.19976 0.07916 0.12959 ++ {0.0} {} 0.0 102.0580 -1 {} 0 65 {} 1.83175 0.07274 0.11441 ++ {0.0} {} {} 4.20147 0.11044 0.16071 ++ {0.0} {} 0.0 95.0291 -1 {} 0 66 {} 1.48869 0.09517 0.16522 ++ {0.0} {} {} 3.11569 0.11869 0.18415 ++ {0.0} {} 0.0 82.3825 -1 {} 0 67 {} 1.48653 0.03080 0.04400 ++ {0.0} {} {} 1.95028 0.05404 0.07720 ++ {0.0} {} 0.0 43.4483 -1 {} 0 68 {} 3.11636 0.04398 0.08107 ++ {0.0} {} {} 1.49748 0.09004 0.17277 ++ {0.0} {} 0.0 109.1730 -1 {} 0 69 {} 1.94753 0.06155 0.08285 ++ {0.0} {} {} 1.51057 0.08807 0.12843 ++ {0.0} {} 0.0 30.7015 -1 {} 0 70 {} 1.80729 0.04545 0.08171 ++ {0.0} {} {} 1.50188 0.15471 0.21066 ++ {0.0} {} 0.0 71.7286 -1 {} 0 71 {} 1.69922 0.04945 0.15327 ++ {0.0} {} {} 1.70706 0.11070 0.18110 ++ {0.0} {} 0.0 1405.6499 -1 {} 0 72 {} 1.69922 0.04945 0.15327 ++ {0.0} {} {} 1.70706 0.11070 0.18110 ++ {0.0} {} 0.0 1405.6499 -1 {} 0 73 {} 1.48732 0.05783 0.06031 ++ {0.0} {} {} 1.81337 0.07222 0.07489 ++ {0.0} {} 0.0 71.1844 -1 {} 0 74 {} 4.09150 0.03389 0.03832 ++ {0.0} {} {} 1.81152 0.11999 0.13695 ++ {0.0} {} 0.0 86.6826 -1 {} 0 75 {} 1.91916 0.05463 0.11078 ++ {0.0} {} {} 3.16912 0.08714 0.16039 ++ {0.0} {} 0.0 180.3780 -1 {} 0 76 {} 1.82084 0.07649 0.11441 ++ {0.0} {} {} 3.16847 0.10844 0.18916 ++ {0.0} {} 0.0 196.9640 -1 {} 0 77 {} 1.70120 0.05099 0.12589 ++ {0.0} {} {} 3.17319 0.06832 0.16626 ++ {0.0} {} 0.0 472.7040 -1 {} 0 78 {} 3.95049 0.02152 0.05010 ++ {0.0} {} {} 4.11138 0.08235 0.14081 ++ {0.0} {} 0.0 404.3100 -1 {} 0 79 {} 4.11363 0.03454 0.04992 ++ {0.0} {} {} 3.97135 0.05759 0.09488 ++ {0.0} {} 0.0 294.6750 -1 {} 0 80 {} 4.11287 0.02942 0.04764 ++ {0.0} {} {} 7.62424 0.11830 0.08884 ++ {0.0} {} 0.0 136.2250 -1 {} 0 81 {} 3.94362 0.01552 0.03668 ++ {0.0} {} {} 7.77828 0.06480 0.07883 ++ {0.0} {} 0.0 32.7054 -1 {} 0 82 {} 2.48356 0.04184 0.04666 ++ {0.0} {} {} 3.77789 0.07580 0.09475 ++ {0.0} {} 0.0 46.5062 -1 {} 0 83 {} 2.35815 0.03854 0.05188 ++ {0.0} {} {} 3.77548 0.07633 0.11927 ++ {0.0} {} 0.0 61.2294 -1 {} 0 84 {} 2.08543 0.03854 0.07292 ++ {0.0} {} {} 3.77878 0.07812 0.14163 ++ {0.0} {} 0.0 119.4830 -1 {} 0 85 {} 1.81041 0.02055 0.02936 ++ {0.0} {} {} 4.11368 0.08562 0.06780 ++ {0.0} {} 0.0 88.6607 -1 {} 0 86 {} 0.92207 0.02892 0.02887 ++ {0.0} {} {} 4.12194 0.07322 0.07304 ++ {0.0} {} 0.0 106.8470 -1 {} 0 87 {} 0.86326 0.04167 0.04877 ++ {0.0} {} {} 4.10471 0.11316 0.14970 ++ {0.0} {} 0.0 158.1550 -1 {} 0 88 {} 0.91707 0.02609 0.04628 ++ {0.0} {} {} 1.80439 0.15491 0.14107 ++ {0.0} {} 0.0 792.8800 -1 {} 0 89 {} 0.86441 0.03002 0.06161 ++ {0.0} {} {} 1.80342 0.15953 0.15225 ++ {0.0} {} 0.0 825.2220 -1 {} 0 90 {} 1.64771 0.01232 0.01381 ++ {0.0} {} {} -0.13013 0.06593 0.07590 ++ {0.0} {} 0.0 246.4769 -1 {} 0 91 {} 0.91894 0.02609 0.05900 ++ {0.0} {} {} 1.67617 0.15491 0.20413 ++ {0.0} {} 0.0 792.8800 -1 {} 0 92 {} 0.86628 0.03002 0.06161 ++ {0.0} {} {} 1.67872 0.09110 0.13014 ++ {0.0} {} 0.0 825.2220 -1 {} 0 93 {} 4.08538 0.05499 0.06712 ++ {0.0} {} {} 0.87377 0.07055 0.07698 ++ {0.0} {} 0.0 94.2838 -1 {} 0 94 {} 3.94445 0.05134 0.07334 ++ {0.0} {} {} 0.87025 0.09539 0.10698 ++ {0.0} {} 0.0 102.2640 -1 {} 0 95 {} 3.79942 0.04312 0.06161 ++ {0.0} {} {} -0.03775 0.06877 0.07025 ++ {0.0} {} 0.0 87.5717 -1 {} 0 96 {} 3.82048 0.04149 0.07380 ++ {0.0} {} {} 0.86698 0.07574 0.15678 ++ {0.0} {} 0.0 354.6730 -1 {} 0 97 {} 2.04535 0.07921 0.08758 ++ {0.0} {} {} 0.86379 0.10898 0.12241 ++ {0.0} {} 0.0 97.0769 -1 {} 0 98 {} 1.91976 0.06992 0.16135 ++ {0.0} {} {} 0.86348 0.06719 0.15248 ++ {0.0} {} 0.0 329.2350 -1 {} 0 99 {} 1.89237 0.06054 0.13987 ++ {0.0} {} {} 0.71900 0.07670 0.14081 ++ {0.0} {} 0.0 188.2004 -1 {} 0 100 {} 1.92131 0.04902 0.06259 ++ {0.0} {} {} 3.83440 0.05800 0.09244 ++ {0.0} {} 0.0 35.4476 -1 {} 0 101 {} 1.64454 0.03359 0.03479 ++ {0.0} {} {} 3.82362 0.06453 0.06718 ++ {0.0} {} 0.0 14.9926 -1 {} 0 102 {} 0.86583 0.03022 0.05290 ++ {0.0} {} {} 3.83175 0.06194 0.14696 ++ {0.0} {} 0.0 357.4640 -1 {} 0 103 {} 4.18812 0.03441 0.04735 ++ {0.0} {} {} 1.94688 0.07493 0.11629 ++ {0.0} {} 0.0 59.5540 -1 {} 0 104 {} 3.82018 0.02841 0.05471 ++ {0.0} {} {} 1.93802 0.06513 0.08664 ++ {0.0} {} 0.0 55.2482 -1 {} 0 105 {} 0.86129 0.03827 0.06299 ++ {0.0} {} {} 1.93123 0.15139 0.16446 ++ {0.0} {} 0.0 592.5210 -1 {} 0 106 {} 0.89612 0.03002 0.03741 ++ {0.0} {} {} 3.95105 0.06262 0.08920 ++ {0.0} {} 0.0 60.9815 -1 {} 0 107 {} 0.84274 0.03022 0.05290 ++ {0.0} {} {} 3.95201 0.06194 0.14696 ++ {0.0} {} 0.0 357.4640 -1 {} 0 108 {} 3.58799 0.02581 0.04338 ++ {0.0} {} {} 1.90638 0.07959 0.09407 ++ {0.0} {} 0.0 53.6154 -1 {} 0 109 {} 0.72456 0.02670 0.03814 ++ {0.0} {} {} 1.90324 0.08797 0.17748 ++ {0.0} {} 0.0 230.9380 -1 {} 0 110 {} 0.68562 0.03491 0.04987 ++ {0.0} {} {} 1.90130 0.09551 0.17932 ++ {0.0} {} 0.0 203.5452 -1 {} 0 111 {} 3.33180 0.02700 0.04253 ++ {0.0} {} {} 4.53924 0.06064 0.08952 ++ {0.0} {} 0.0 104.7140 -1 {} 0 112 {} 3.26246 0.05520 0.06635 ++ {0.0} {} {} 4.53835 0.06005 0.07873 ++ {0.0} {} 0.0 79.6061 -1 {} 0 113 {} 2.15781 0.05178 0.08029 ++ {0.0} {} {} 4.22616 0.14442 0.17537 ++ {0.0} {} 0.0 129.2140 -1 {} 0 114 {} 2.41327 0.09729 0.13857 ++ {0.0} {} {} 4.22595 0.06129 0.14081 ++ {0.0} {} 0.0 86.0489 -1 {} 0 115 {} 4.21453 0.03137 0.05434 ++ {0.0} {} {} 2.44459 0.06494 0.10813 ++ {0.0} {} 0.0 62.6329 -1 {} 0 116 {} 2.15977 0.07682 0.10006 ++ {0.0} {} {} 2.44326 0.09095 0.30580 ++ {0.0} {} 0.0 281.4940 -1 {} 0 117 {} 2.08349 0.04876 0.06965 ++ {0.0} {} {} 2.42064 0.10439 0.29008 ++ {0.0} {} 0.0 199.1260 -1 {} 0 118 {} 4.21718 0.03120 0.04255 ++ {0.0} {} {} 2.16064 0.05145 0.11966 ++ {0.0} {} 0.0 66.1160 -1 {} 0 119 {} 2.45679 0.04723 0.10555 ++ {0.0} {} {} 2.11974 0.06680 0.29229 ++ {0.0} {} 0.0 184.8140 -1 {} 0 120 {} 2.37887 0.12137 0.15548 ++ {0.0} {} {} 2.10103 0.18968 0.28554 ++ {0.0} {} 0.0 200.1980 -1 {} 0 121 {} 3.77123 0.05013 0.07881 ++ {0.0} {} {} 2.08932 0.07626 0.15681 ++ {0.0} {} 0.0 144.5570 -1 {} 0 122 {} 4.18683 0.04351 0.05078 ++ {0.0} {} {} 3.14810 0.04197 0.09870 ++ {0.0} {} 0.0 60.8331 -1 {} 0 123 {} 4.18989 0.04086 0.05444 ++ {0.0} {} {} 1.84573 0.09857 0.14081 ++ {0.0} {} 0.0 53.4242 -1 {} 0 124 {} 4.10431 0.05424 0.06573 ++ {0.0} {} {} 4.33937 0.05567 0.07316 ++ {0.0} {} 0.0 79.9684 -1 {} 0 125 {} 3.76924 0.03698 0.04574 ++ {0.0} {} {} 2.50461 0.07426 0.10652 ++ {0.0} {} 0.0 67.3411 -1 {} 0 126 {} 3.77070 0.03010 0.04941 ++ {0.0} {} {} 2.36644 0.07135 0.09015 ++ {0.0} {} 0.0 59.5644 -1 {} 0 127 {} 2.44593 0.02259 0.03227 ++ {0.0} {} {} 8.09447 0.07668 0.06717 ++ {0.0} {} 0.0 48.7892 -1 {} 0 128 {} 2.41276 0.03491 0.04987 ++ {0.0} {} {} 8.09602 0.08906 0.10546 ++ {0.0} {} 0.0 63.1577 -1 {} 0 129 {} 2.15851 0.05258 0.05560 ++ {0.0} {} {} 8.09589 0.08909 0.09625 ++ {0.0} {} 0.0 59.0484 -1 {} 0 130 {} 1.84161 0.03090 0.04415 ++ {0.0} {} {} 7.86039 0.09160 0.07190 ++ {0.0} {} 0.0 28.8882 -1 {} 0 131 {} 1.91892 0.04377 0.04179 ++ {0.0} {} {} 7.85851 0.07755 0.07156 ++ {0.0} {} 0.0 32.5848 -1 {} 0 132 {} 1.69937 0.03622 0.04098 ++ {0.0} {} {} 7.86055 0.07905 0.09348 ++ {0.0} {} 0.0 42.9386 -1 {} 0 133 {} 1.69665 0.04181 0.04528 ++ {0.0} {} {} 7.70794 0.03851 0.08530 ++ {0.0} {} 0.0 26.2197 -1 {} 0 134 {} 0.86460 0.02887 0.03929 ++ {0.0} {} {} 7.66565 0.13171 0.09614 ++ {0.0} {} 0.0 53.6897 -1 {} 0 135 {} 1.89321 0.01405 0.04203 ++ {0.0} {} {} 7.76041 0.08128 0.06168 ++ {0.0} {} 0.0 22.6243 -1 {} 0 136 {} 0.72994 0.03680 0.04432 ++ {0.0} {} {} 7.76904 0.07579 0.07888 ++ {0.0} {} 0.0 39.2002 -1 {} 0 137 {} 0.68476 0.02516 0.02782 ++ {0.0} {} {} 7.76748 0.06718 0.09613 ++ {0.0} {} 0.0 31.7899 -1 {} 0 138 {} 1.91268 0.01757 0.02510 ++ {0.0} {} {} 8.67484 0.06557 0.09367 ++ {0.0} {} 0.0 16.7669 -1 {} 0 139 {} 1.69490 0.03049 0.03077 ++ {0.0} {} {} 8.00868 0.08602 0.08684 ++ {0.0} {} 0.0 18.1419 -1 {} 0 140 {} 1.92386 0.05339 0.06710 ++ {0.0} {} {} 7.56332 0.08753 0.10737 ++ {0.0} {} 0.0 44.2263 -1 {} 0 141 {} 0.86460 0.02887 0.03574 ++ {0.0} {} {} 7.57283 0.13171 0.15629 ++ {0.0} {} 0.0 53.6897 -1 {} 0 142 {} 3.33037 0.02828 0.03297 ++ {0.0} {} {} 8.00500 0.07337 0.08670 ++ {0.0} {} 0.0 83.7738 -1 {} 0 143 {} 3.26328 0.03187 0.04553 ++ {0.0} {} {} 8.01056 0.06404 0.05219 ++ {0.0} {} 0.0 57.8505 -1 {} 0 144 {} 3.16000 0.03391 0.07467 ++ {0.0} {} {} 7.19641 0.06937 0.14931 ++ {0.0} {} 0.0 223.6190 -1 {} 0 145 {} 3.12187 0.03572 0.05202 ++ {0.0} {} {} 7.07283 0.05557 0.07651 ++ {0.0} {} 0.0 110.0041 -1 {} 0 146 {2.HN} 8.53177 0.02160 0.03397 ++ {0.0} {} {1.HA} 4.12627 0.03138 0.07023 ++ {0.0} {} 0.0 37.6707 0 {} 0 147 {2.HN} 8.53203 0.02696 0.03143 ++ {0.0} {} {1.HB1} 3.97902 0.05397 0.06663 ++ {0.0} {} 0.0 28.9586 0 {} 0 148 {} 8.53561 0.02405 0.03338 ++ {0.0} {} {} 7.08597 0.03743 0.05949 ++ {0.0} {} 0.0 21.8018 0 {} 0 149 {3.HN} 7.93567 0.02444 0.03648 ++ {0.0} {} {2.HA} 4.19909 0.04197 0.06858 ++ {0.0} {} 0.0 30.2892 0 {} 0 150 {3.HN} 7.94433 0.01671 0.02578 ++ {0.0} {} {2.HB1} 1.96454 0.08411 0.07919 ++ {0.0} {} 0.0 14.4845 0 {} 0 151 {3.HN} 7.93677 0.01181 0.02164 ++ {0.0} {} {2.HB2} 1.82508 0.05584 0.07709 ++ {0.0} {} 0.0 18.0260 0 {} 0 152 {} 7.94086 0.00802 0.01146 ++ {0.0} {} {} 1.45882 0.03081 0.01612 ++ {0.0} {} 0.0 13.2097 0 {} 0 153 {3.HN} 7.93935 0.00689 0.01735 ++ {0.0} {} {1.HA} 4.11826 0.03160 0.03431 ++ {0.0} {} 0.0 12.8841 0 {} 0 154 {3.HN} 7.93785 0.01521 0.02173 ++ {0.0} {} {2.HH11} 7.05550 0.03452 0.04323 ++ {0.0} {} 0.0 15.9398 0 {} 0 155 {3.HN} 7.93918 0.02899 0.04586 ++ {0.0} {} {2.HN} 8.54573 0.03434 0.07702 ++ {0.0} {} 0.0 58.5351 0 {} 0 156 {4.HN} 8.02699 0.02284 0.05284 ++ {0.0} {} {3.HB1} 3.07868 0.04928 0.19811 ++ {0.0} {} 0.0 30.5918 0 {} 0 157 {4.HN} 8.03005 0.02157 0.03155 ++ {0.0} {} {4.HG1} 2.50594 0.04004 0.08885 ++ {0.0} {} 0.0 20.5004 0 {} 0 158 {4.HN} 8.03003 0.02032 0.03476 ++ {0.0} {} {3.HA} 4.32376 0.04912 0.08252 ++ {0.0} {} 0.0 31.6830 0 {} 0 159 {4.HN} 8.02623 0.02822 0.05408 ++ {0.0} {} {5.HN} 7.71191 0.02876 0.05922 ++ {0.0} {} 0.0 56.7823 0 {} 0 160 {5.HN} 7.69944 0.01816 0.03082 ++ {0.0} {} {4.HN} 8.03994 0.03904 0.05096 ++ {0.0} {} 0.0 64.2195 0 {} 0 161 {4.HN} 8.02640 0.04574 0.02480 ++ {0.0} {} {1.HA} 4.11562 0.04013 0.04929 ++ {0.0} {} 0.0 24.6119 0 {} 0 162 {5.HN} 7.69741 0.02285 0.04319 ++ {0.0} {} {4.HA} 3.77719 0.02916 0.05724 ++ {0.0} {} 0.0 22.0201 0 {} 0 163 {5.HN} 7.69870 0.02597 0.04421 ++ {0.0} {} {4.HB1} 2.09047 0.03569 0.08109 ++ {0.0} {} 0.0 47.4483 0 {} 0 164 {5.HN} 7.70174 0.03607 0.04192 ++ {0.0} {} {6.HB} 1.92491 0.03536 0.06115 ++ {0.0} {} 0.0 23.4421 0 {} 0 165 {5.HN} 7.69613 0.04096 0.03971 ++ {0.0} {} {7.HG11} 0.91920 0.05628 0.03929 ++ {0.0} {} 0.0 25.4497 0 {} 0 166 {2.HH11} 7.03025 0.02892 0.06462 ++ {0.0} {} {5.HD11} 0.87173 0.03808 0.09657 ++ {0.0} {} 0.0 13.4732 0 {} 0 167 {6.HN} 7.55681 0.02246 0.03010 ++ {0.0} {} {5.HG} 1.82261 0.02846 0.07872 ++ {0.0} {} 0.0 20.7788 0 {} 0 168 {6.HN} 7.55856 0.02760 0.05228 ++ {0.0} {} {5.HB1} 1.67459 0.10048 0.20515 ++ {0.0} {} 0.0 53.4276 0 {} 0 169 {6.HN} 7.56264 0.03205 0.03297 ++ {0.0} {} {6.HG11} 1.24159 0.05628 0.08083 ++ {0.0} {} 0.0 25.4497 0 {} 0 170 {6.HN} 7.56730 0.01141 0.02113 ++ {0.0} {} {7.HG21} 0.68922 0.04431 0.03151 ++ {0.0} {} 0.0 15.1355 0 {} 0 171 {6.HN} 7.55845 0.02908 0.04836 ++ {0.0} {} {5.HA} 4.11127 0.03832 0.06843 ++ {0.0} {} 0.0 28.9220 0 {} 0 172 {6.HN} 7.55989 0.01963 0.04831 ++ {0.0} {} {7.HN} 7.77433 0.04928 0.05667 ++ {0.0} {} 0.0 58.8151 0 {} 0 173 {7.HN} 7.76387 0.02668 0.03117 ++ {0.0} {} {6.HN} 7.56956 0.03356 0.04113 ++ {0.0} {} 0.0 49.2014 0 {} 0 174 {7.HN} 7.75940 0.02841 0.03985 ++ {0.0} {} {8.HN} 8.01932 0.03271 0.06144 ++ {0.0} {} 0.0 67.3678 0 {} 0 175 {7.HN} 7.76517 0.02331 0.04278 ++ {0.0} {} {5.HA} 4.09951 0.03429 0.07448 ++ {0.0} {} 0.0 34.8802 0 {} 0 176 {7.HN} 7.75928 0.01309 0.03487 ++ {0.0} {} {6.HA} 3.82768 0.03075 0.03632 ++ {0.0} {} 0.0 34.7463 0 {} 0 177 {} 7.76093 0.02587 0.02785 ++ {0.0} {} {} 3.59312 0.03752 0.05266 ++ {0.0} {} 0.0 53.0809 0 {} 0 178 {7.HN} 7.75899 0.01482 0.05608 ++ {0.0} {} {5.HD11} 0.86355 0.04189 0.11309 ++ {0.0} {} 0.0 42.5628 0 {} 0 179 {} 8.00617 0.02132 0.03062 ++ {0.0} {} {} 3.59347 0.03014 0.05950 ++ {0.0} {} 0.0 47.8773 0 {} 0 180 {8.HN} 8.00269 0.02954 0.06115 ++ {0.0} {} {8.HB2} 3.34250 0.04928 0.11813 ++ {0.0} {} 0.0 61.6248 0 {} 0 181 {8.HN} 8.00692 0.02689 0.04966 ++ {0.0} {} {7.HB} 1.90244 0.04884 0.10367 ++ {0.0} {} 0.0 60.1884 0 {} 0 182 {8.HN} 8.01285 0.02232 0.02229 ++ {0.0} {} {7.HG11} 0.85750 0.05710 0.06237 ++ {0.0} {} 0.0 18.4877 0 {} 0 183 {8.HN} 8.00544 0.02328 0.03571 ++ {0.0} {} {7.HG12} 0.69228 0.05069 0.07961 ++ {0.0} {} 0.0 43.7703 0 {} 0 184 {8.HN} 8.00593 0.02711 0.04681 ++ {0.0} {} {7.HN} 7.77477 0.04122 0.08340 ++ {0.0} {} 0.0 70.0123 0 {} 0 185 {9.HN} 8.08489 0.01776 0.02538 ++ {0.0} {} {8.HB2} 3.34311 0.06508 0.05810 ++ {0.0} {} 0.0 19.8385 0 {} 0 186 {9.HN} 8.07918 0.02339 0.03860 ++ {0.0} {} {8.HB1} 3.26626 0.07908 0.09303 ++ {0.0} {} 0.0 33.6282 0 {} 0 187 {9.HN} 8.08535 0.02753 0.03347 ++ {0.0} {} {8.HA} 4.53415 0.06425 0.07810 ++ {0.0} {} 0.0 39.2424 0 {} 0 188 {9.HN} 8.08705 0.02635 0.03898 ++ {0.0} {} {10.HN} 7.86203 0.03425 0.06998 ++ {0.0} {} 0.0 62.0374 0 {} 0 189 {} 8.08748 0.02535 0.03627 ++ {0.0} {} {} 8.01915 0.04928 0.07041 ++ {0.0} {} 0.0 69.2177 -1 {} 0 190 {10.HN} 7.84968 0.02306 0.04317 ++ {0.0} {} {9.HB1} 2.16454 0.04459 0.08417 ++ {0.0} {} 0.0 26.3367 0 {} 0 191 {10.HN} 7.84780 0.02496 0.06630 ++ {0.0} {} {10.HB2} 1.85299 0.08239 0.11865 ++ {0.0} {} 0.0 54.4598 0 {} 0 192 {10.HN} 7.84740 0.01912 0.02353 ++ {0.0} {} {8.HD1} 7.34622 0.03379 0.05213 ++ {0.0} {} 0.0 18.4151 0 {} 0 193 {10.HN} 7.84943 0.03317 0.06419 ++ {0.0} {} {9.HN} 8.09960 0.03360 0.07648 ++ {0.0} {} 0.0 80.2296 0 {} 0 194 {5.HN} 7.70028 0.03435 0.05270 ++ {0.0} {} {6.HN} 7.57246 0.04602 0.09847 ++ {0.0} {} 0.0 60.9128 0 {} 0 195 {6.HN} 7.55783 0.04312 0.07144 ++ {0.0} {} {5.HN} 7.70311 0.04928 0.09959 ++ {0.0} {} 0.0 160.9820 0 {} 0 196 {1.HT1} 7.64292 0.01951 0.03090 ++ {0.0} {} {2.HN} 8.54769 0.03967 0.07889 ++ {0.0} {} 0.0 65.6459 0 {} 0 197 {2.HA} 4.18065 0.02358 0.03566 ++ {0.0} {} {2.HN} 8.54257 0.02668 0.04749 ++ {0.0} {} 0.0 19.5404 0 {} 0 198 {9.HA} 4.21238 0.03684 0.05718 ++ {0.0} {} {9.HN} 8.10249 0.03331 0.06174 ++ {0.0} {} 0.0 26.6241 0 {} 0 199 {10.HA} 4.19808 0.03293 0.05698 ++ {0.0} {} {10.HN} 7.86173 0.02935 0.06411 ++ {0.0} {} 0.0 33.2155 0 {} 0 200 {5.HA} 4.09886 0.03480 0.06163 ++ {0.0} {} {5.HN} 7.71893 0.04928 0.06703 ++ {0.0} {} 0.0 32.0426 0 {} 0 201 {1.HA} 4.11289 0.02518 0.03752 ++ {0.0} {} {1.HT1} 7.65574 0.04052 0.07041 ++ {0.0} {} 0.0 51.0590 0 {} 0 202 {1.HB1} 3.96664 0.03633 0.06945 ++ {0.0} {} {1.HT1} 7.65549 0.03323 0.07349 ++ {0.0} {} 0.0 86.4940 0 {} 0 203 {7.HA} 3.93479 0.00446 0.02184 ++ {0.0} {} {7.HN} 7.75606 0.02510 0.04798 ++ {0.0} {} 0.0 10.7840 0 {} 0 204 {6.HA} 3.81204 0.04232 0.06283 ++ {0.0} {} {6.HN} 7.57087 0.03259 0.07179 ++ {0.0} {} 0.0 38.8694 0 {} 0 205 {4.HA} 3.76444 0.03238 0.06298 ++ {0.0} {} {4.HN} 8.03785 0.04152 0.07586 ++ {0.0} {} 0.0 59.4823 0 {} 0 206 {8.HB1} 3.32979 0.02756 0.04605 ++ {0.0} {} {8.HN} 8.01659 0.03614 0.07438 ++ {0.0} {} 0.0 81.3108 0 {} 0 207 {1.HA} 4.11497 0.00835 0.02633 ++ {0.0} {} {2.HN} 8.54029 0.02915 0.04727 ++ {0.0} {} 0.0 16.0149 0 {} 0 208 {1.HB1} 3.96947 0.02558 0.03890 ++ {0.0} {} {2.HN} 8.54604 0.04135 0.06140 ++ {0.0} {} 0.0 30.9454 0 {} 0 209 {2.HB1} 1.96714 0.03765 0.04732 ++ {0.0} {} {2.HN} 8.54899 0.04145 0.05251 ++ {0.0} {} 0.0 23.0162 0 {} 0 210 {2.HB2} 1.81221 0.02259 0.05122 ++ {0.0} {} {2.HN} 8.54534 0.02694 0.05476 ++ {0.0} {} 0.0 27.5865 0 {} 0 211 {2.HD1} 3.10055 0.01411 0.04086 ++ {0.0} {} {2.HN} 8.54389 0.02672 0.02931 ++ {0.0} {} 0.0 16.2593 0 {} 0 212 {2.HG1} 1.54984 0.03241 0.04630 ++ {0.0} {} {2.HN} 8.54249 0.04179 0.05096 ++ {0.0} {} 0.0 15.5283 0 {} 0 213 {2.HG2} 1.47164 0.03171 0.04530 ++ {0.0} {} {2.HN} 8.54776 0.03449 0.04033 ++ {0.0} {} 0.0 14.6832 0 {} 0 214 {3.HB1} 3.11007 0.04329 0.04633 ++ {0.0} {} {4.HN} 8.04201 0.03764 0.05422 ++ {0.0} {} 0.0 27.3704 0 {} 0 215 {3.HB2} 3.05329 0.05492 0.05942 ++ {0.0} {} {4.HN} 8.04316 0.03380 0.05125 ++ {0.0} {} 0.0 29.3614 0 {} 0 216 {4.HB1} 2.07814 0.03871 0.06574 ++ {0.0} {} {4.HN} 8.03900 0.03785 0.08801 ++ {0.0} {} 0.0 71.1947 0 {} 0 217 {4.HA} 3.76802 0.01409 0.04587 ++ {0.0} {} {5.HN} 7.71394 0.03435 0.05919 ++ {0.0} {} 0.0 23.0272 0 {} 0 218 {4.HB1} 2.08448 0.04299 0.05254 ++ {0.0} {} {5.HN} 7.70912 0.04233 0.05884 ++ {0.0} {} 0.0 30.2977 0 {} 0 219 {5.HB2} 1.81121 0.03408 0.05124 ++ {0.0} {} {5.HN} 7.71355 0.02854 0.05246 ++ {0.0} {} 0.0 42.7408 0 {} 0 220 {5.HB1} 1.69387 0.04218 0.07479 ++ {0.0} {} {5.HN} 7.71373 0.03152 0.06534 ++ {0.0} {} 0.0 79.3650 0 {} 0 221 {5.HD11} 0.86692 0.03156 0.04366 ++ {0.0} {} {5.HN} 7.70848 0.05728 0.08137 ++ {0.0} {} 0.0 37.8416 0 {} 0 222 {5.HD21} 0.92389 0.01428 0.02610 ++ {0.0} {} {7.HN} 7.71549 0.02588 0.04147 ++ {0.0} {} 0.0 19.6171 0 {} 0 223 {5.HB1} 1.67563 0.02259 0.11259 ++ {0.0} {} {6.HN} 7.57247 0.03440 0.05664 ++ {0.0} {} 0.0 23.0758 0 {} 0 224 {6.HB} 1.90990 0.02259 0.10562 ++ {0.0} {} {6.HN} 7.57087 0.03440 0.07023 ++ {0.0} {} 0.0 23.0758 0 {} 0 225 {6.HD11} 0.86527 0.03142 0.04892 ++ {0.0} {} {6.HN} 7.56928 0.03719 0.09209 ++ {0.0} {} 0.0 77.2014 0 {} 0 226 {4.HA} 3.76729 0.04930 0.05149 ++ {0.0} {} {7.HN} 7.75532 0.03346 0.04646 ++ {0.0} {} 0.0 31.8952 0 {} 0 227 {} 3.57598 0.01988 0.02840 ++ {0.0} {} {} 8.26368 0.03453 0.03076 ++ {0.0} {} 0.0 53.6717 -1 {} 0 228 {8.HB2} 3.25481 0.04703 0.07385 ++ {0.0} {} {8.HN} 8.01689 0.03689 0.06878 ++ {0.0} {} 0.0 67.9944 0 {} 0 229 {7.HG21} 0.72994 0.04703 0.04975 ++ {0.0} {} {8.HN} 8.02242 0.03689 0.07185 ++ {0.0} {} 0.0 67.9944 0 {} 0 230 {7.HG21} 0.67485 0.03438 0.05323 ++ {0.0} {} {8.HN} 8.02597 0.05136 0.07160 ++ {0.0} {} 0.0 29.1657 0 {} 0 231 {8.HB1} 3.32775 0.02354 0.04987 ++ {0.0} {} {9.HN} 8.10014 0.03511 0.05679 ++ {0.0} {} 0.0 28.6533 0 {} 0 232 {8.HB2} 3.24168 0.00509 0.07213 ++ {0.0} {} {9.HN} 8.10216 0.01052 0.07182 ++ {0.0} {} 0.0 14.1056 0 {} 0 233 {9.HG1} 2.40445 0.03542 0.03716 ++ {0.0} {} {9.HN} 8.10080 0.03322 0.04271 ++ {0.0} {} 0.0 25.4395 0 {} 0 234 {9.HB1} 2.15907 0.04468 0.07009 ++ {0.0} {} {9.HN} 8.10059 0.03473 0.07429 ++ {0.0} {} 0.0 68.4374 0 {} 0 235 {3.HB1} 3.04766 0.00991 0.07329 ++ {0.0} {} {2.HH11} 7.04760 0.03752 0.10291 ++ {0.0} {} 0.0 15.5552 0 {} 0 236 {9.HB1} 2.15536 0.02827 0.05264 ++ {0.0} {} {10.HN} 7.86447 0.03565 0.04584 ++ {0.0} {} 0.0 19.5107 0 {} 0 237 {10.HB1} 1.92357 0.02818 0.06420 ++ {0.0} {} {10.HN} 7.86010 0.03278 0.06135 ++ {0.0} {} 0.0 34.5300 0 {} 0 238 {10.HG1} 1.69777 0.04988 0.07303 ++ {0.0} {} {10.HN} 7.86117 0.02506 0.06198 ++ {0.0} {} 0.0 34.2444 0 {} 0 239 {10.HB1} 1.84441 0.04338 0.07241 ++ {0.0} {} {10.HN} 7.86012 0.03372 0.05989 ++ {0.0} {} 0.0 29.1560 0 {} 0 240 {7.HA} 3.93112 0.02221 0.03088 ++ {0.0} {} {9.HN} 8.07904 0.03356 0.03653 ++ {0.0} {} 0.0 21.6520 0 {} 0 241 {7.HB} 1.87977 0.02259 0.09671 ++ {0.0} {} {8.HN} 8.01111 0.05491 0.08924 ++ {0.0} {} 0.0 30.8310 0 {} 0 242 {3.HB2} 3.11121 0.04312 0.06161 ++ {0.0} {} {3.HN} 7.95466 0.03690 0.08566 ++ {0.0} {} 0.0 57.1424 0 {} 0 243 {3.HB1} 3.05396 0.04312 0.09712 ++ {0.0} {} {3.HN} 7.95223 0.03125 0.07824 ++ {0.0} {} 0.0 52.3554 0 {} 0 244 {6.HB} 1.89772 0.06464 0.11709 ++ {0.0} {} {7.HN} 7.77543 0.03775 0.08922 ++ {0.0} {} 0.0 66.1408 0 {} 0 245 {5.HD11} 0.86572 0.02652 0.05356 ++ {0.0} {} {7.HN} 7.77365 0.04120 0.08182 ++ {0.0} {} 0.0 50.1650 0 {} 0 246 {7.HG22} 0.67287 0.02922 0.07228 ++ {0.0} {} {7.HN} 7.77771 0.04241 0.10106 ++ {0.0} {} 0.0 114.8300 0 {} 0 247 {7.HG21} 0.72831 0.02670 0.05473 ++ {0.0} {} {7.HN} 7.77557 0.03808 0.06902 ++ {0.0} {} 0.0 30.7730 0 {} 0 248 {1.HB1} 3.97396 0.02740 0.06161 ++ {0.0} {} {1.HA} 4.12367 0.03030 0.07744 ++ {0.0} {} 0.0 138.4470 0 {} 0 249 {4.HB1} 2.08135 0.04327 0.09449 ++ {0.0} {} {5.HA} 4.11686 0.03938 0.08036 ++ {0.0} {} 0.0 43.9120 0 {} 0 250 {5.HB2} 1.80900 0.03498 0.08253 ++ {0.0} {} {5.HA} 4.10942 0.06844 0.09620 ++ {0.0} {} 0.0 56.8208 0 {} 0 251 {5.HB1} 1.69741 0.03948 0.10929 ++ {0.0} {} {5.HA} 4.11282 0.06299 0.11481 ++ {0.0} {} 0.0 77.5235 0 {} 0 252 {5.HD21} 0.91879 0.02348 0.04724 ++ {0.0} {} {5.HA} 4.11672 0.05187 0.10371 ++ {0.0} {} 0.0 67.9760 0 {} 0 253 {5.HD11} 0.86624 0.02476 0.04738 ++ {0.0} {} {5.HA} 4.11362 0.06792 0.12351 ++ {0.0} {} 0.0 109.7000 0 {} 0 254 {4.HA} 3.76588 0.01848 0.02825 ++ {0.0} {} {5.HA} 4.11452 0.02920 0.03186 ++ {0.0} {} 0.0 33.5850 0 {} 0 255 {8.HD1} 7.33851 0.02302 0.03782 ++ {0.0} {} {10.HA} 4.20615 0.04507 0.08284 ++ {0.0} {} 0.0 40.9691 0 {} 0 256 {10.HD1} 3.12911 0.05843 0.11727 ++ {0.0} {} {10.HA} 4.19957 0.03551 0.08026 ++ {0.0} {} 0.0 41.0638 0 {} 0 257 {10.HB1} 1.92529 0.04990 0.10141 ++ {0.0} {} {10.HA} 4.20041 0.04008 0.08602 ++ {0.0} {} 0.0 59.2371 0 {} 0 258 {2.HB2} 1.82385 0.07143 0.12154 ++ {0.0} {} {2.HA} 4.20074 0.03647 0.07852 ++ {0.0} {} 0.0 73.1975 0 {} 0 259 {10.HG1} 1.69888 0.04505 0.07825 ++ {0.0} {} {10.HA} 4.19899 0.04474 0.12513 ++ {0.0} {} 0.0 69.8807 0 {} 0 260 {2.HH11} 7.02920 0.02009 0.05944 ++ {0.0} {} {3.HA} 4.33098 0.05301 0.11142 ++ {0.0} {} 0.0 78.0540 0 {} 0 261 {3.HB1} 3.11163 0.05134 0.07334 ++ {0.0} {} {3.HA} 4.32662 0.05550 0.11023 ++ {0.0} {} 0.0 78.9836 0 {} 0 262 {3.HB2} 3.05040 0.05134 0.07334 ++ {0.0} {} {3.HA} 4.32507 0.04981 0.11426 ++ {0.0} {} 0.0 60.4030 0 {} 0 263 {5.HD11} 0.86083 0.02489 0.03518 ++ {0.0} {} {3.HA} 4.32857 0.04279 0.07749 ++ {0.0} {} 0.0 49.5632 0 {} 0 264 {4.HG1} 2.48750 0.02859 0.03538 ++ {0.0} {} {4.HA} 3.77674 0.04825 0.06088 ++ {0.0} {} 0.0 22.1944 0 {} 0 265 {4.HG2} 2.36757 0.02670 0.03814 ++ {0.0} {} {4.HA} 3.77098 0.04472 0.06953 ++ {0.0} {} 0.0 20.0322 0 {} 0 266 {4.HB1} 2.07867 0.05858 0.08906 ++ {0.0} {} {4.HA} 3.77138 0.03040 0.08391 ++ {0.0} {} 0.0 50.4432 0 {} 0 267 {} 0.52275 0.02547 0.03957 ++ {0.0} {} {} 3.80212 0.04120 0.07608 ++ {0.0} {} 0.0 37.6019 0 {} 0 268 {8.HB1} 3.32846 0.01545 0.03698 ++ {0.0} {} {5.HA} 4.11315 0.03176 0.05348 ++ {0.0} {} 0.0 25.4860 0 {} 0 269 {8.HB2} 3.26757 0.02254 0.04009 ++ {0.0} {} {5.HA} 4.11212 0.02645 0.05046 ++ {0.0} {} 0.0 24.1255 0 {} 0 270 {9.HB1} 2.15887 0.02250 0.05024 ++ {0.0} {} {6.HA} 3.82837 0.03580 0.04490 ++ {0.0} {} 0.0 21.6347 0 {} 0 271 {6.HB} 1.94133 0.01992 0.03069 ++ {0.0} {} {6.HA} 3.82314 0.03197 0.10004 ++ {0.0} {} 0.0 28.7349 0 {} 0 272 {6.HD11} 0.86444 0.03356 0.07097 ++ {0.0} {} {6.HA} 3.82706 0.03465 0.10316 ++ {0.0} {} 0.0 132.6270 0 {} 0 273 {7.HG11} 0.85063 0.02270 0.03642 ++ {0.0} {} {7.HA} 3.94251 0.04770 0.10271 ++ {0.0} {} 0.0 19.1619 0 {} 0 274 {7.HG21} 0.82457 0.01574 0.04230 ++ {0.0} {} {7.HA} 3.95069 0.03918 0.10249 ++ {0.0} {} 0.0 21.6660 0 {} 0 275 {8.HD2} 7.34055 0.01255 0.02359 ++ {0.0} {} {8.HB1} 3.33806 0.07831 0.07765 ++ {0.0} {} 0.0 31.5931 0 {} 0 276 {8.HD2} 7.34310 0.01659 0.02743 ++ {0.0} {} {8.HB2} 3.27637 0.06317 0.08211 ++ {0.0} {} 0.0 33.3549 0 {} 0 277 {8.HD1} 7.34068 0.01707 0.02074 ++ {0.0} {} {7.HG21} 0.73140 0.03764 0.04490 ++ {0.0} {} 0.0 30.2172 0 {} 0 278 {3.HE1} 7.68940 0.02438 0.04980 ++ {0.0} {} {3.HA} 4.33334 0.04682 0.12298 ++ {0.0} {} 0.0 47.9170 0 {} 0 279 {3.HZ} 7.58916 0.04416 0.02728 ++ {0.0} {} {3.HA} 4.33181 0.05609 0.10229 ++ {0.0} {} 0.0 38.1087 0 {} 0 280 {3.HZ} 7.58077 0.01991 0.03373 ++ {0.0} {} {3.HB2} 3.08939 0.03248 0.07880 ++ {0.0} {} 0.0 17.2325 0 {} 0 281 {} 7.34301 0.01387 0.01981 ++ {0.0} {} {} 1.92457 0.04002 0.03088 ++ {0.0} {} 0.0 15.8803 -1 {} 0 282 {8.HD1} 7.33994 0.01484 0.02646 ++ {0.0} {} {8.HA} 4.52960 0.03900 0.08156 ++ {0.0} {} 0.0 55.1617 0 {} 0 283 {2.HH11} 7.08626 0.02353 0.03306 ++ {0.0} {} {3.HA} 4.33361 0.05990 0.08308 ++ {0.0} {} 0.0 21.3990 0 {} 0 284 {8.HD1} 7.33512 0.01797 0.03830 ++ {0.0} {} {10.HN} 7.86249 0.02543 0.05812 ++ {0.0} {} 0.0 26.1889 0 {} 0 285 {} 6.98803 0.02263 0.04075 ++ {0.0} {} {} 4.20941 0.05332 0.09204 ++ {0.0} {} 0.0 38.3955 0 {} 0 286 {} 6.98813 0.01961 0.02917 ++ {0.0} {} {} 7.35316 0.05333 0.07929 ++ {0.0} {} 0.0 621.6625 -1 {} 0 287 {10.HN} 7.84962 0.01403 0.02404 ++ {0.0} {} {9.HG1} 2.45093 0.03860 0.04157 ++ {0.0} {} 0.0 10.8919 0 {} 0 288 {9.HB1} 2.15956 0.03932 0.07857 ++ {0.0} {} {9.HA} 4.21927 0.03329 0.08901 ++ {0.0} {} 0.0 72.4114 0 {} 0 289 {8.HB1} 3.32782 0.02801 0.05077 ++ {0.0} {} {8.HA} 4.53277 0.06533 0.08894 ++ {0.0} {} 0.0 82.8292 0 {} 0 290 {8.HB2} 3.25758 0.05519 0.08563 ++ {0.0} {} {8.HA} 4.53046 0.04138 0.10992 ++ {0.0} {} 0.0 61.1937 0 {} 0 291 {1.HA} 4.11317 0.02096 0.04119 ++ {0.0} {} {1.HB1} 3.98221 0.08081 0.19538 ++ {0.0} {} 0.0 131.8040 0 {} 0 292 {2.HB2} 1.81320 0.04815 0.10470 ++ {0.0} {} {2.HD1} 3.13373 0.07059 0.21277 ++ {0.0} {} 0.0 34.0761 0 {} 0 293 {2.HG1} 1.53665 0.04939 0.06946 ++ {0.0} {} {2.HD1} 3.12592 0.04549 0.09922 ++ {0.0} {} 0.0 36.1477 0 {} 0 294 {2.HG2} 1.47462 0.05955 0.08859 ++ {0.0} {} {2.HD1} 3.12464 0.04920 0.15106 ++ {0.0} {} 0.0 29.6221 0 {} 0 295 {2.HB1} 1.93358 0.06322 0.08169 ++ {0.0} {} {2.HD1} 3.13533 0.05776 0.11259 ++ {0.0} {} 0.0 26.0211 0 {} 0 296 {2.HH11} 7.07404 0.03253 0.04196 ++ {0.0} {} {2.HB1} 1.95670 0.06958 0.09973 ++ {0.0} {} 0.0 19.6118 0 {} 0 297 {2.HA} 4.18385 0.02935 0.04895 ++ {0.0} {} {2.HB1} 1.95094 0.04553 0.11634 ++ {0.0} {} 0.0 34.2510 0 {} 0 298 {2.HD1} 3.12592 0.03593 0.06334 ++ {0.0} {} {2.HB1} 1.95694 0.07185 0.11265 ++ {0.0} {} 0.0 30.5236 0 {} 0 299 {2.HG1} 1.51667 0.01848 0.03381 ++ {0.0} {} {2.HB1} 1.94155 0.03703 0.09164 ++ {0.0} {} 0.0 19.8612 0 {} 0 300 {2.HG2} 1.53609 0.01027 0.03342 ++ {0.0} {} {2.HB1} 1.94428 0.06205 0.09523 ++ {0.0} {} 0.0 15.9520 0 {} 0 301 {5.HA} 4.09282 0.03168 0.04685 ++ {0.0} {} {5.HB2} 1.81402 0.04939 0.08335 ++ {0.0} {} 0.0 39.0630 0 {} 0 302 {2.HD1} 3.12026 0.03653 0.05203 ++ {0.0} {} {2.HB2} 1.81900 0.05686 0.08341 ++ {0.0} {} 0.0 36.8697 0 {} 0 303 {5.HB1} 1.69697 0.04632 0.09352 ++ {0.0} {} {5.HB2} 1.82255 0.04104 0.12408 ++ {0.0} {} 0.0 263.2330 0 {} 0 304 {2.HG1} 1.54025 0.02259 0.03227 ++ {0.0} {} {2.HB2} 1.82265 0.05730 0.05609 ++ {0.0} {} 0.0 30.0239 0 {} 0 305 {2.HG2} 1.50442 0.03491 0.03911 ++ {0.0} {} {2.HB2} 1.81422 0.05103 0.08021 ++ {0.0} {} 0.0 28.8495 0 {} 0 306 {2.HG1} 1.47413 0.02259 0.05543 ++ {0.0} {} {2.HB2} 1.81351 0.05229 0.07747 ++ {0.0} {} 0.0 27.0846 0 {} 0 307 {9.HB1} 2.16085 0.03080 0.05563 ++ {0.0} {} {9.HG1} 2.42772 0.08511 0.19331 ++ {0.0} {} 0.0 103.4150 0 {} 0 308 {9.HA} 4.20157 0.03316 0.05987 ++ {0.0} {} {9.HB1} 2.16404 0.03858 0.09035 ++ {0.0} {} 0.0 36.2446 0 {} 0 309 {6.HA} 3.81487 0.02665 0.03356 ++ {0.0} {} {9.HB1} 2.16663 0.05413 0.09006 ++ {0.0} {} 0.0 22.4274 0 {} 0 310 {9.HG1} 2.41619 0.06775 0.15358 ++ {0.0} {} {9.HB1} 2.16569 0.07275 0.12022 ++ {0.0} {} 0.0 101.9210 0 {} 0 311 {4.HA} 3.76191 0.02785 0.03569 ++ {0.0} {} {4.HG1} 2.50388 0.05958 0.09429 ++ {0.0} {} 0.0 19.8681 0 {} 0 312 {4.HG2} 2.36048 0.03080 0.09107 ++ {0.0} {} {4.HG1} 2.49679 0.04928 0.16749 ++ {0.0} {} 0.0 143.0450 0 {} 0 313 {4.HB1} 2.08613 0.01972 0.04727 ++ {0.0} {} {4.HG1} 2.50077 0.03201 0.09321 ++ {0.0} {} 0.0 45.1164 0 {} 0 314 {4.HB2} 2.06107 0.01027 0.02292 ++ {0.0} {} {4.HG1} 2.49023 0.05710 0.10484 ++ {0.0} {} 0.0 33.9280 0 {} 0 315 {5.HA} 4.11006 0.01981 0.06135 ++ {0.0} {} {4.HB1} 2.09285 0.03888 0.11751 ++ {0.0} {} 0.0 32.8902 0 {} 0 316 {4.HA} 3.76289 0.03966 0.07868 ++ {0.0} {} {4.HB1} 2.09269 0.04005 0.14289 ++ {0.0} {} 0.0 79.4433 0 {} 0 317 {4.HG1} 2.49352 0.03815 0.07154 ++ {0.0} {} {4.HB1} 2.09224 0.04076 0.11115 ++ {0.0} {} 0.0 64.2048 0 {} 0 318 {4.HG2} 2.37102 0.05743 0.08204 ++ {0.0} {} {4.HB1} 2.09334 0.08463 0.18017 ++ {0.0} {} 0.0 91.4570 0 {} 0 319 {7.HG21} 0.86487 0.01037 0.07214 ++ {0.0} {} {7.HB} 1.92751 0.03096 0.18371 ++ {0.0} {} 0.0 13.6829 0 {} 0 320 {2.HH11} 7.02971 0.01491 0.05238 ++ {0.0} {} {3.HB1} 3.08990 0.03048 0.23902 ++ {0.0} {} 0.0 46.6564 0 {} 0 321 {10.HG1} 1.71230 0.04822 0.11130 ++ {0.0} {} {10.HD1} 3.17254 0.04985 0.11129 ++ {0.0} {} 0.0 44.5971 0 {} 0 322 {6.HA} 3.80988 0.03110 0.06747 ++ {0.0} {} {6.HB} 1.92908 0.04443 0.12235 ++ {0.0} {} 0.0 51.0125 0 {} 0 323 {4.HA} 3.76702 0.03729 0.06562 ++ {0.0} {} {6.HB} 1.89940 0.04451 0.10293 ++ {0.0} {} 0.0 30.8247 0 {} 0 324 {2.HD1} 3.11155 0.03274 0.09794 ++ {0.0} {} {2.HG1} 1.50530 0.07952 0.21794 ++ {0.0} {} 0.0 51.2932 0 {} 0 325 {7.HG11} 0.72395 0.02752 0.05986 ++ {0.0} {} {10.HB1} 1.89783 0.03957 0.17302 ++ {0.0} {} 0.0 100.1560 0 {} 0 326 {7.HG21} 0.67665 0.03902 0.08033 ++ {0.0} {} {10.HB1} 1.90007 0.04138 0.16419 ++ {0.0} {} 0.0 101.3680 0 {} 0 327 {10.HA} 4.18852 0.02832 0.06505 ++ {0.0} {} {10.HG1} 1.71619 0.03433 0.12427 ++ {0.0} {} 0.0 26.4065 0 {} 0 328 {5.HA} 4.10001 0.02507 0.06181 ++ {0.0} {} {5.HB1} 1.71107 0.04017 0.14975 ++ {0.0} {} 0.0 51.6281 0 {} 0 329 {10.HD1} 3.15812 0.06715 0.11418 ++ {0.0} {} {10.HG1} 1.70733 0.04649 0.15323 ++ {0.0} {} 0.0 68.2745 0 {} 0 330 {10.HB1} 1.92024 0.04952 0.07888 ++ {0.0} {} {10.HG1} 1.70137 0.08214 0.19163 ++ {0.0} {} 0.0 151.3770 0 {} 0 331 {5.HB2} 1.81213 0.05096 0.09874 ++ {0.0} {} {5.HB1} 1.69894 0.05730 0.20747 ++ {0.0} {} 0.0 346.0950 0 {} 0 332 {} 1.89349 0.01809 0.10254 ++ {0.0} {} {} 0.69884 0.02518 0.21290 ++ {0.0} {} 0.0 38.4591 0 {} 0 333 {4.HA} 3.76245 0.03464 0.06216 ++ {0.0} {} {7.HG21} 0.68674 0.05042 0.12697 ++ {0.0} {} 0.0 114.0820 0 {} 0 334 {2.HA} 4.18758 0.02682 0.04962 ++ {0.0} {} {2.HB2} 1.83199 0.06924 0.11734 ++ {0.0} {} 0.0 42.2071 0 {} 0 335 {5.HD21} 0.92132 0.01672 0.04107 ++ {0.0} {} {5.HB2} 1.81604 0.05600 0.12215 ++ {0.0} {} 0.0 47.8810 0 {} 0 336 {6.HD11} 0.86961 0.01134 0.03784 ++ {0.0} {} {5.HB2} 1.81947 0.07537 0.10531 ++ {0.0} {} 0.0 42.8397 0 {} 0 337 {5.HD21} 0.92095 0.01952 0.04076 ++ {0.0} {} {5.HB1} 1.69052 0.06467 0.22794 ++ {0.0} {} 0.0 151.2580 0 {} 0 338 {5.HD11} 0.87114 0.02281 0.05458 ++ {0.0} {} {5.HB1} 1.69185 0.06041 0.23060 ++ {0.0} {} 0.0 210.1490 0 {} 0 339 {7.HG21} 0.67902 0.02480 0.04256 ++ {0.0} {} {4.HA} 3.78235 0.02720 0.10383 ++ {0.0} {} 0.0 37.6019 0 {} 0 340 {5.HA} 4.09918 0.04103 0.06704 ++ {0.0} {} {5.HD11} 0.87449 0.05804 0.08402 ++ {0.0} {} 0.0 56.1161 0 {} 0 341 {6.HA} 3.81289 0.05050 0.08007 ++ {0.0} {} {6.HD11} 0.87096 0.03286 0.12187 ++ {0.0} {} 0.0 119.4160 0 {} 0 342 {7.HB} 1.91832 0.03907 0.09552 ++ {0.0} {} {7.HG11} 0.86186 0.02871 0.14913 ++ {0.0} {} 0.0 129.9550 0 {} 0 343 {6.HG12} 1.66972 0.03861 0.09556 ++ {0.0} {} {6.HD11} 0.87962 0.03912 0.13129 ++ {0.0} {} 0.0 89.0628 0 {} 0 344 {6.HA} 3.81429 0.04312 0.05377 ++ {0.0} {} {6.HG12} 1.65580 0.06540 0.16228 ++ {0.0} {} 0.0 53.8872 0 {} 0 345 {} 3.72485 0.03441 0.04987 ++ {0.0} {} {} 3.96961 0.04921 0.08804 ++ {0.0} {} 0.0 22.7792 0 {} 0 346 {6.HG12} 1.69413 0.02720 0.08976 ++ {0.0} {} {6.HB} 1.92932 0.04710 0.12463 ++ {0.0} {} 0.0 120.0510 0 {} 0 347 {10.HD1} 3.15282 0.04052 0.08222 ++ {0.0} {} {10.HE} 7.21732 0.03747 0.10827 ++ {0.0} {} 0.0 53.9474 0 {} 0 348 {2.HD1} 3.11837 0.04751 0.06515 ++ {0.0} {} {2.HE} 7.07955 0.07449 0.13156 ++ {0.0} {} 0.0 59.2091 0 {} 0 349 {10.HD1} 3.17133 0.03392 0.06688 ++ {0.0} {} {10.HE} 7.14663 0.05148 0.09770 ++ {0.0} {} 0.0 25.1380 0 {} 0 350 {8.HN} 8.00518 0.04574 0.02786 ++ {0.0} {} {5.HA} 4.11359 0.04013 0.05358 ++ {0.0} {} 0.0 24.6119 0 {} 0 351 {6.HN} 7.56383 0.02107 0.02855 ++ {0.0} {} {3.HA} 4.33085 0.04408 0.06443 ++ {0.0} {} 0.0 39.0918 0 {} 0 352 {7.HN} 7.76241 0.02107 0.02855 ++ {0.0} {} {4.HA} 3.78246 0.04408 0.06443 ++ {0.0} {} 0.0 39.0918 0 {} 0 353 {5.HD11} 0.86178 0.01829 0.03652 ++ {0.0} {} {2.HH11} 7.03503 0.04660 0.08706 ++ {0.0} {} 0.0 20.3579 0 {} 0 354 {6.HB} 1.88940 0.02259 0.03255 ++ {0.0} {} {4.HA} 3.78756 0.03220 0.08739 ++ {0.0} {} 0.0 26.4194 0 {} 0 355 {} 1.80558 0.01670 0.04382 ++ {0.0} {} {} 0.92180 0.04581 0.10640 ++ {0.0} {} 0.0 23.8885 0 {} 0 356 {} 1.70732 0.02259 0.02387 ++ {0.0} {} {} 7.21068 0.02563 0.05059 ++ {0.0} {} 0.0 13.4490 0 {} 0 357 {6.HD11} 0.82774 0.05220 0.03710 ++ {0.0} {} {7.HN} 7.76841 0.04120 0.09885 ++ {0.0} {} 0.0 50.1650 0 {} 0 358 {5.HA} 4.08820 0.01361 0.02028 ++ {0.0} {} {8.HB1} 3.26788 0.03627 0.04166 ++ {0.0} {} 0.0 12.6056 0 {} 0 359 {1.HA} 4.10870 0.01212 0.02001 ++ {0.0} {} {4.HN} 8.03947 0.04542 0.06124 ++ {0.0} {} 0.0 13.5642 0 {} 0 360 {} 3.81655 0.04930 0.06086 ++ {0.0} {} {} 7.77344 0.03346 0.11931 ++ {0.0} {} 0.0 31.8952 0 {} 0 361 {} 8.23011 0.01909 0.05868 ++ {0.0} {} {} 3.20286 0.05990 0.09867 ++ {0.0} {} 0.0 15.3111 -1 {} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 6009.615 Hz . . . 2347.81 . . c30451_6d2h 2 2 . . H 1 H . . 6009.595 Hz . . . 2347.81 . . c30451_6d2h 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 c30451_6d2h _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 3 _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 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1Hx 1Hy tocsy600.nv 6009.61523437 6009.61523437 500.131988525 500.131988525 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 0 {2.HN} 8.52012 0.02876 0.05190 ++ {0.0} {} {2.HA} 4.19448 0.07746 0.11805 ++ {0.0} {} 0.0 175.8780 0 {} 0 1 {4.HN} 8.01403 0.03006 0.04834 ++ {0.0} {} {4.HA} 3.78159 0.06943 0.13144 ++ {0.0} {} 0.0 78.2482 0 {} 0 2 {} 7.71705 0.03231 0.05522 ++ {0.0} {} {} 5.20572 0.13908 0.14576 ++ {0.0} {} 0.0 246.6970 -1 {} 0 3 {9.HN} 8.07865 0.03231 0.06061 ++ {0.0} {} {9.HA} 4.23334 0.13908 0.18711 ++ {0.0} {} 0.0 246.6970 0 {} 0 4 {8.HN} 7.99287 0.02405 0.05299 ++ {0.0} {} {8.HA} 4.53719 0.07349 0.18867 ++ {0.0} {} 0.0 164.1180 0 {} 0 5 {3.HN} 7.92257 0.03364 0.06483 ++ {0.0} {} {3.HA} 4.33900 0.06438 0.16861 ++ {0.0} {} 0.0 115.1910 0 {} 0 6 {10.HN} 7.84394 0.03483 0.06763 ++ {0.0} {} {10.HA} 4.20092 0.07792 0.17043 ++ {0.0} {} 0.0 227.3400 0 {} 0 7 {5.HN} 7.69485 0.02853 0.08507 ++ {0.0} {} {5.HA} 4.11437 0.07567 0.15684 ++ {0.0} {} 0.0 200.8480 0 {} 0 8 {1.HT1} 7.62944 0.02044 0.04409 ++ {0.0} {} {1.HA} 4.13648 0.05823 0.16147 ++ {0.0} {} 0.0 141.2520 0 {} 0 9 {6.HN} 7.55306 0.03469 0.06127 ++ {0.0} {} {6.HA} 3.83177 0.09782 0.16097 ++ {0.0} {} 0.0 53.4124 0 {} 0 10 {7.HN} 7.74800 0.03476 0.04868 ++ {0.0} {} {7.HA} 3.95248 0.07206 0.13879 ++ {0.0} {} 0.0 55.7668 0 {} 0 11 {1.HT1} 7.62997 0.02060 0.02700 ++ {0.0} {} {1.HB1} 3.97250 0.06081 0.07967 ++ {0.0} {} 0.0 107.7180 0 {} 0 12 {2.HA} 4.18712 0.02728 0.03890 ++ {0.0} {} {2.HN} 8.56565 0.05380 0.17191 ++ {0.0} {} 0.0 75.2593 0 {} 0 13 {9.HA} 4.21264 0.05097 0.04475 ++ {0.0} {} {9.HN} 8.08688 0.07614 0.11860 ++ {0.0} {} 0.0 116.2700 0 {} 0 14 {10.HA} 4.18942 0.03797 0.05234 ++ {0.0} {} {10.HN} 7.85430 0.06329 0.11952 ++ {0.0} {} 0.0 104.7990 0 {} 0 15 {5.HA} 4.10451 0.02942 0.05225 ++ {0.0} {} {5.HN} 7.68650 0.11830 0.20600 ++ {0.0} {} 0.0 136.2250 0 {} 0 16 {} 3.89188 0.04723 0.06747 ++ {0.0} {} {} 7.55171 0.09922 0.10735 ++ {0.0} {} 0.0 42.0391 0 {} 0 17 {2.HN} 8.52087 0.02854 0.04151 ++ {0.0} {} {2.HB1} 1.97857 0.07499 0.15034 ++ {0.0} {} 0.0 25.5962 0 {} 0 18 {2.HN} 8.51666 0.01279 0.03531 ++ {0.0} {} {2.HB2} 1.80851 0.08649 0.09786 ++ {0.0} {} 0.0 20.9279 0 {} 0 19 {2.HN} 8.51808 0.01635 0.04037 ++ {0.0} {} {2.HG1} 1.52550 0.05124 0.14348 ++ {0.0} {} 0.0 22.1374 0 {} 0 20 {4.HN} 8.01396 0.01587 0.04610 ++ {0.0} {} {4.HB1} 2.07289 0.09857 0.13553 ++ {0.0} {} 0.0 23.5461 0 {} 0 21 {4.HN} 8.10895 0.03565 0.03961 ++ {0.0} {} {4.HB2} 1.70782 0.12632 0.13897 ++ {0.0} {} 0.0 35.0076 -1 {} 0 22 {9.HN} 8.07948 0.03964 0.06282 ++ {0.0} {} {9.HG1} 2.44402 0.07227 0.21800 ++ {0.0} {} 0.0 100.6060 0 {} 0 23 {9.HN} 8.07932 0.03023 0.04862 ++ {0.0} {} {9.HB1} 2.16340 0.15486 0.15159 ++ {0.0} {} 0.0 88.0059 0 {} 0 24 {9.HN} 8.07933 0.03023 0.04107 ++ {0.0} {} {9.HB2} 2.07504 0.15486 0.13982 ++ {0.0} {} 0.0 88.0059 0 {} 0 25 {8.HN} 7.99263 0.03246 0.05761 ++ {0.0} {} {8.HB1} 3.29973 0.08483 0.25407 ++ {0.0} {} 0.0 109.0620 0 {} 0 26 {3.HN} 7.92029 0.02794 0.04283 ++ {0.0} {} {3.HB1} 3.09411 0.12757 0.21117 ++ {0.0} {} 0.0 51.0611 0 {} 0 27 {10.HN} 7.84653 0.03512 0.04132 ++ {0.0} {} {10.HD1} 3.17166 0.06667 0.08405 ++ {0.0} {} 0.0 37.9825 0 {} 0 28 {10.HN} 7.84254 0.02882 0.04198 ++ {0.0} {} {10.HB1} 1.88220 0.16261 0.25660 ++ {0.0} {} 0.0 72.5880 0 {} 0 29 {10.HN} 7.84359 0.02900 0.04555 ++ {0.0} {} {10.HB2} 1.71190 0.09175 0.14049 ++ {0.0} {} 0.0 72.8088 0 {} 0 30 {7.HN} 7.74716 0.02828 0.03636 ++ {0.0} {} {7.HB} 1.90376 0.06365 0.08340 ++ {0.0} {} 0.0 32.5722 0 {} 0 31 {7.HN} 7.75013 0.06424 0.02946 ++ {0.0} {} {7.HG11} 0.77029 0.09857 0.09663 ++ {0.0} {} 0.0 32.1686 0 {} 0 32 {} 7.38076 0.02139 0.02374 ++ {0.0} {} {} 0.58637 0.09857 0.14081 ++ {0.0} {} 0.0 26.8192 -1 {} 0 33 {5.HN} 7.69270 0.02804 0.03612 ++ {0.0} {} {5.HB2} 1.80573 0.09857 0.14081 ++ {0.0} {} 0.0 46.0042 0 {} 0 34 {5.HN} 7.69417 0.02540 0.03692 ++ {0.0} {} {5.HB1} 1.70991 0.09857 0.14081 ++ {0.0} {} 0.0 60.6372 0 {} 0 35 {5.HN} 7.69175 0.02844 0.03498 ++ {0.0} {} {5.HD11} 0.86404 0.07928 0.12024 ++ {0.0} {} 0.0 41.4922 0 {} 0 36 {6.HN} 7.55337 0.03591 0.04677 ++ {0.0} {} {6.HB} 1.93250 0.06105 0.08496 ++ {0.0} {} 0.0 46.1505 0 {} 0 37 {6.HN} 7.55087 0.04299 0.06101 ++ {0.0} {} {6.HD11} 0.86941 0.07317 0.12036 ++ {0.0} {} 0.0 60.5021 0 {} 0 38 {2.HH11} 7.06755 0.03324 0.05588 ++ {0.0} {} {2.HG1} 1.51173 0.10173 0.15940 ++ {0.0} {} 0.0 39.9591 0 {} 0 39 {10.HE} 7.19150 0.04274 0.05770 ++ {0.0} {} {10.HB2} 1.70933 0.09484 0.14623 ++ {0.0} {} 0.0 120.2530 0 {} 0 40 {10.HH11} 7.13083 0.03902 0.07681 ++ {0.0} {} {10.HB2} 1.71282 0.07704 0.12102 ++ {0.0} {} 0.0 52.1922 0 {} 0 41 {2.HE} 7.12214 0.02681 0.07201 ++ {0.0} {} {2.HB2} 1.80709 0.09857 0.14081 ++ {0.0} {} 0.0 39.0694 0 {} 0 42 {10.HE} 7.19001 0.02149 0.05772 ++ {0.0} {} {10.HB1} 1.89799 0.05495 0.16592 ++ {0.0} {} 0.0 34.0561 0 {} 0 43 {} 7.05576 0.03007 0.04916 ++ {0.0} {} {} 2.07817 0.08818 0.10528 ++ {0.0} {} 0.0 35.8555 -1 {} 0 44 {10.HE} 7.19301 0.04014 0.06613 ++ {0.0} {} {10.HD1} 3.16780 0.08148 0.16173 ++ {0.0} {} 0.0 282.0640 0 {} 0 45 {2.HH11} 7.06494 0.03757 0.06192 ++ {0.0} {} {2.HD1} 3.12863 0.06526 0.14668 ++ {0.0} {} 0.0 197.8180 0 {} 0 46 {8.HE1} 8.61191 0.01527 0.03096 ++ {0.0} {} {8.HD1} 7.35457 0.05755 0.15533 ++ {0.0} {} 0.0 369.9630 0 {} 0 47 {8.HD1} 7.34270 0.01665 0.03642 ++ {0.0} {} {8.HE1} 8.64149 0.04819 0.15402 ++ {0.0} {} 0.0 254.1450 0 {} 0 48 {3.HE1} 7.69459 0.02171 0.03640 ++ {0.0} {} {3.HD1} 7.32254 0.07494 0.14723 ++ {0.0} {} 0.0 532.3650 0 {} 0 49 {3.HD1} 7.34239 0.04816 0.06232 ++ {0.0} {} {3.HE1} 7.68918 0.07846 0.15968 ++ {0.0} {} 0.0 530.7390 0 {} 0 50 {9.HE21} 7.37532 0.02036 0.03341 ++ {0.0} {} {9.HE22} 6.77228 0.05993 0.11248 ++ {0.0} {} 0.0 189.0520 0 {} 0 51 {9.HE22} 6.76435 0.02534 0.03687 ++ {0.0} {} {9.HE21} 7.38904 0.07322 0.13762 ++ {0.0} {} 0.0 206.1640 0 {} 0 52 {} 7.74916 0.02812 0.04277 ++ {0.0} {} {} 3.59602 0.06524 0.12272 ++ {0.0} {} 0.0 126.7840 -1 {} 0 53 {} 6.69435 0.03902 0.05574 ++ {0.0} {} {} 3.08129 0.06029 0.20037 ++ {0.0} {} 0.0 130.8970 -1 {} 0 54 {1.HB1} 3.97538 0.04191 0.05750 ++ {0.0} {} {1.HT1} 7.62950 0.08332 0.10327 ++ {0.0} {} 0.0 67.5856 0 {} 0 55 {} 3.95259 0.01587 0.02139 ++ {0.0} {} {} 7.01050 0.05744 0.08283 ++ {0.0} {} 0.0 98.2758 0 {} 0 56 {6.HA} 3.82188 0.04849 0.07191 ++ {0.0} {} {6.HN} 7.57233 0.06876 0.12526 ++ {0.0} {} 0.0 119.7120 0 {} 0 57 {4.HA} 3.77212 0.02880 0.05138 ++ {0.0} {} {4.HN} 8.03424 0.06412 0.13117 ++ {0.0} {} 0.0 71.5681 0 {} 0 58 {} 3.59043 0.04928 0.05243 ++ {0.0} {} {} 7.76475 0.07419 0.08353 ++ {0.0} {} 0.0 62.7353 0 {} 0 59 {2.HN} 8.52065 0.00887 0.01267 ++ {0.0} {} {2.HD1} 3.12915 0.04812 0.02011 ++ {0.0} {} 0.0 11.3590 0 {} 0 60 {} 8.51802 0.01210 0.01728 ++ {0.0} {} {} 7.66278 0.13867 0.09759 ++ {0.0} {} 0.0 -11.7425 -1 {} 0 61 {} 8.52104 0.01189 0.01699 ++ {0.0} {} {} 7.94865 0.08904 0.07581 ++ {0.0} {} 0.0 -12.5171 -1 {} 0 62 {10.HG1} 1.70088 0.05945 0.13201 ++ {0.0} {} {10.HA} 4.19191 0.14053 0.25333 ++ {0.0} {} 0.0 137.7810 0 {} 0 63 {10.HB1} 1.92052 0.05136 0.09658 ++ {0.0} {} {10.HA} 4.20814 0.06933 0.12713 ++ {0.0} {} 0.0 90.4782 0 {} 0 64 {10.HD1} 3.14391 0.08068 0.10430 ++ {0.0} {} {10.HA} 4.19976 0.07916 0.12959 ++ {0.0} {} 0.0 102.0580 0 {} 0 65 {10.HB2} 1.82258 0.07274 0.08528 ++ {0.0} {} {10.HA} 4.20300 0.11044 0.11484 ++ {0.0} {} 0.0 95.0291 0 {} 0 66 {2.HG1} 1.48869 0.09517 0.16522 ++ {0.0} {} {2.HD1} 3.11569 0.11869 0.18415 ++ {0.0} {} 0.0 82.3825 0 {} 0 67 {2.HG1} 1.48653 0.03080 0.04400 ++ {0.0} {} {2.HB1} 1.95028 0.05404 0.07720 ++ {0.0} {} 0.0 43.4483 0 {} 0 68 {2.HD1} 3.11636 0.04398 0.08107 ++ {0.0} {} {2.HG1} 1.49748 0.09004 0.17277 ++ {0.0} {} 0.0 109.1730 0 {} 0 69 {2.HB1} 1.94753 0.06155 0.08285 ++ {0.0} {} {2.HG1} 1.51057 0.08807 0.12843 ++ {0.0} {} 0.0 30.7015 0 {} 0 70 {2.HB2} 1.80729 0.04545 0.08171 ++ {0.0} {} {2.HG1} 1.50188 0.15471 0.21066 ++ {0.0} {} 0.0 71.7286 0 {} 0 71 {} 1.69922 0.04945 0.15327 ++ {0.0} {} {} 1.70706 0.11070 0.18110 ++ {0.0} {} 0.0 1405.6499 -1 {} 0 72 {} 1.69922 0.04945 0.15327 ++ {0.0} {} {} 1.70706 0.11070 0.18110 ++ {0.0} {} 0.0 1405.6499 -1 {} 0 73 {2.HG1} 1.48732 0.05783 0.06031 ++ {0.0} {} {2.HB2} 1.81337 0.07222 0.07489 ++ {0.0} {} 0.0 71.1844 0 {} 0 74 {5.HA} 4.09150 0.03389 0.03832 ++ {0.0} {} {5.HG} 1.81152 0.11999 0.13695 ++ {0.0} {} 0.0 86.6826 0 {} 0 75 {10.HB1} 1.91916 0.05463 0.11078 ++ {0.0} {} {10.HD1} 3.16912 0.08714 0.16039 ++ {0.0} {} 0.0 180.3780 0 {} 0 76 {10.HB2} 1.82084 0.07649 0.11441 ++ {0.0} {} {10.HD1} 3.16847 0.10844 0.18916 ++ {0.0} {} 0.0 196.9640 0 {} 0 77 {10.HG1} 1.70120 0.05099 0.12589 ++ {0.0} {} {10.HD1} 3.17319 0.06832 0.16626 ++ {0.0} {} 0.0 472.7040 0 {} 0 78 {1.HB1} 3.95049 0.02152 0.05010 ++ {0.0} {} {1.HA} 4.11138 0.08235 0.14081 ++ {0.0} {} 0.0 404.3100 0 {} 0 79 {1.HA} 4.11363 0.03454 0.04992 ++ {0.0} {} {1.HB1} 3.97135 0.05759 0.09488 ++ {0.0} {} 0.0 294.6750 0 {} 0 80 {1.HA} 4.11287 0.02942 0.04764 ++ {0.0} {} {1.HT1} 7.62424 0.11830 0.08884 ++ {0.0} {} 0.0 136.2250 0 {} 0 81 {7.HA} 3.94362 0.01552 0.03668 ++ {0.0} {} {7.HN} 7.77828 0.06480 0.07883 ++ {0.0} {} 0.0 32.7054 0 {} 0 82 {4.HG1} 2.48356 0.04184 0.04666 ++ {0.0} {} {4.HA} 3.77789 0.07580 0.09475 ++ {0.0} {} 0.0 46.5062 0 {} 0 83 {4.HG2} 2.35815 0.03854 0.05188 ++ {0.0} {} {4.HA} 3.77548 0.07633 0.11927 ++ {0.0} {} 0.0 61.2294 0 {} 0 84 {4.HB1} 2.08543 0.03854 0.07292 ++ {0.0} {} {4.HA} 3.77878 0.07812 0.14163 ++ {0.0} {} 0.0 119.4830 0 {} 0 85 {5.HB2} 1.80794 0.02055 0.05865 ++ {0.0} {} {5.HA} 4.11368 0.08562 0.15923 ++ {0.0} {} 0.0 88.6607 0 {} 0 86 {5.HD21} 0.92145 0.02892 0.06755 ++ {0.0} {} {5.HA} 4.12194 0.07322 0.19692 ++ {0.0} {} 0.0 106.8470 0 {} 0 87 {5.HD11} 0.85709 0.04167 0.08446 ++ {0.0} {} {5.HA} 4.12323 0.11316 0.19632 ++ {0.0} {} 0.0 158.1550 0 {} 0 88 {5.HD21} 0.91707 0.02609 0.04628 ++ {0.0} {} {5.HG} 1.80439 0.15491 0.14107 ++ {0.0} {} 0.0 792.8800 0 {} 0 89 {5.HD11} 0.86441 0.03002 0.06161 ++ {0.0} {} {5.HG} 1.80342 0.15953 0.15225 ++ {0.0} {} 0.0 825.2220 0 {} 0 90 {} 1.64771 0.01232 0.01381 ++ {0.0} {} {} -0.13013 0.06593 0.07590 ++ {0.0} {} 0.0 246.4769 -1 {} 0 91 {5.HD21} 0.91894 0.02609 0.05900 ++ {0.0} {} {5.HB1} 1.67617 0.15491 0.20413 ++ {0.0} {} 0.0 792.8800 0 {} 0 92 {5.HD11} 0.86628 0.03002 0.06161 ++ {0.0} {} {5.HB1} 1.67872 0.09110 0.13014 ++ {0.0} {} 0.0 825.2220 0 {} 0 93 {5.HA} 4.08538 0.05499 0.06712 ++ {0.0} {} {5.HD11} 0.87377 0.07055 0.07698 ++ {0.0} {} 0.0 94.2838 0 {} 0 94 {7.HA} 3.94445 0.05134 0.07334 ++ {0.0} {} {7.HG11} 0.87025 0.09539 0.10698 ++ {0.0} {} 0.0 102.2640 0 {} 0 95 {} 3.79942 0.04312 0.06161 ++ {0.0} {} {} -0.03775 0.06877 0.07025 ++ {0.0} {} 0.0 87.5717 -1 {} 0 96 {6.HA} 3.82048 0.04149 0.07380 ++ {0.0} {} {6.HD11} 0.86698 0.07574 0.15678 ++ {0.0} {} 0.0 354.6730 0 {} 0 97 {6.HB} 2.04535 0.07921 0.08758 ++ {0.0} {} {6.HD11} 0.86379 0.10898 0.12241 ++ {0.0} {} 0.0 97.0769 0 {} 0 98 {6.HB} 1.91976 0.06992 0.16135 ++ {0.0} {} {6.HD11} 0.86348 0.06719 0.15248 ++ {0.0} {} 0.0 329.2350 0 {} 0 99 {} 1.89237 0.06054 0.13987 ++ {0.0} {} {} 0.71900 0.07670 0.14081 ++ {0.0} {} 0.0 188.2004 0 {} 0 100 {6.HB} 1.92131 0.04902 0.06259 ++ {0.0} {} {6.HA} 3.83440 0.05800 0.09244 ++ {0.0} {} 0.0 35.4476 0 {} 0 101 {6.HG12} 1.64454 0.03359 0.03479 ++ {0.0} {} {6.HA} 3.82362 0.06453 0.06718 ++ {0.0} {} 0.0 14.9926 0 {} 0 102 {6.HD11} 0.86583 0.03022 0.05290 ++ {0.0} {} {6.HA} 3.83175 0.06194 0.14696 ++ {0.0} {} 0.0 357.4640 0 {} 0 103 {2.HA} 4.18812 0.03441 0.04735 ++ {0.0} {} {2.HB1} 1.94688 0.07493 0.11629 ++ {0.0} {} 0.0 59.5540 0 {} 0 104 {6.HA} 3.82018 0.02841 0.05471 ++ {0.0} {} {6.HB} 1.93802 0.06513 0.08664 ++ {0.0} {} 0.0 55.2482 0 {} 0 105 {6.HD11} 0.86129 0.03827 0.06299 ++ {0.0} {} {6.HB} 1.93123 0.15139 0.16446 ++ {0.0} {} 0.0 592.5210 0 {} 0 106 {7.HG11} 0.89612 0.03002 0.03741 ++ {0.0} {} {7.HA} 3.95105 0.06262 0.08920 ++ {0.0} {} 0.0 60.9815 0 {} 0 107 {7.HG21} 0.84274 0.03022 0.05290 ++ {0.0} {} {7.HA} 3.95201 0.06194 0.14696 ++ {0.0} {} 0.0 357.4640 0 {} 0 108 {} 3.58799 0.02581 0.04338 ++ {0.0} {} {} 1.90638 0.07959 0.09407 ++ {0.0} {} 0.0 53.6154 0 {} 0 109 {7.HG21} 0.72456 0.02670 0.03814 ++ {0.0} {} {7.HB} 1.90324 0.08797 0.17748 ++ {0.0} {} 0.0 230.9380 0 {} 0 110 {7.HG21} 0.68562 0.03491 0.04987 ++ {0.0} {} {7.HB} 1.90130 0.09551 0.17932 ++ {0.0} {} 0.0 203.5450 0 {} 0 111 {8.HB1} 3.33254 0.02700 0.04253 ++ {0.0} {} {8.HA} 4.53676 0.06064 0.09080 ++ {0.0} {} 0.0 104.7140 0 {} 0 112 {8.HB2} 3.26246 0.05520 0.06635 ++ {0.0} {} {8.HA} 4.53835 0.06005 0.07873 ++ {0.0} {} 0.0 79.6061 0 {} 0 113 {9.HB1} 2.15781 0.05178 0.08029 ++ {0.0} {} {9.HA} 4.22616 0.14442 0.17537 ++ {0.0} {} 0.0 129.2140 0 {} 0 114 {9.HG1} 2.41327 0.09729 0.13857 ++ {0.0} {} {9.HA} 4.22595 0.06129 0.14081 ++ {0.0} {} 0.0 86.0489 0 {} 0 115 {9.HA} 4.21453 0.03137 0.05434 ++ {0.0} {} {9.HG1} 2.44459 0.06494 0.10813 ++ {0.0} {} 0.0 62.6329 0 {} 0 116 {9.HB1} 2.15977 0.07682 0.10006 ++ {0.0} {} {9.HG1} 2.44326 0.09095 0.30580 ++ {0.0} {} 0.0 281.4940 0 {} 0 117 {9.HB2} 2.08349 0.04876 0.06965 ++ {0.0} {} {9.HG1} 2.42064 0.10439 0.29008 ++ {0.0} {} 0.0 199.1260 0 {} 0 118 {9.HA} 4.21718 0.03120 0.04255 ++ {0.0} {} {9.HB1} 2.16064 0.05145 0.11966 ++ {0.0} {} 0.0 66.1160 0 {} 0 119 {9.HG1} 2.45679 0.04723 0.10555 ++ {0.0} {} {9.HB1} 2.11974 0.06680 0.29229 ++ {0.0} {} 0.0 184.8140 0 {} 0 120 {4.HG2} 2.37887 0.12137 0.15548 ++ {0.0} {} {4.HB1} 2.10103 0.18968 0.28554 ++ {0.0} {} 0.0 200.1980 0 {} 0 121 {4.HA} 3.77123 0.05013 0.07881 ++ {0.0} {} {4.HB1} 2.08932 0.07626 0.15681 ++ {0.0} {} 0.0 144.5570 0 {} 0 122 {2.HA} 4.18683 0.04351 0.05078 ++ {0.0} {} {2.HD1} 3.14810 0.04197 0.09870 ++ {0.0} {} 0.0 60.8331 0 {} 0 123 {10.HA} 4.18989 0.04086 0.05444 ++ {0.0} {} {10.HB1} 1.84573 0.09857 0.14081 ++ {0.0} {} 0.0 53.4242 0 {} 0 124 {} 4.10431 0.05424 0.06573 ++ {0.0} {} {} 4.33937 0.05567 0.07316 ++ {0.0} {} 0.0 79.9684 -1 {} 0 125 {4.HA} 3.76924 0.03698 0.04574 ++ {0.0} {} {4.HG1} 2.50461 0.07426 0.10652 ++ {0.0} {} 0.0 67.3411 0 {} 0 126 {4.HA} 3.77070 0.03010 0.04941 ++ {0.0} {} {4.HG2} 2.36644 0.07135 0.09015 ++ {0.0} {} 0.0 59.5644 0 {} 0 127 {9.HG1} 2.44389 0.02259 0.04583 ++ {0.0} {} {9.HN} 8.09447 0.07668 0.08880 ++ {0.0} {} 0.0 48.7892 0 {} 0 128 {9.HG2} 2.40665 0.03491 0.05489 ++ {0.0} {} {9.HN} 8.09602 0.08906 0.12610 ++ {0.0} {} 0.0 63.1577 0 {} 0 129 {9.HB1} 2.15546 0.05258 0.05560 ++ {0.0} {} {9.HN} 8.09803 0.08909 0.11876 ++ {0.0} {} 0.0 59.0484 0 {} 0 130 {10.HB1} 1.84161 0.03090 0.04415 ++ {0.0} {} {10.HN} 7.86039 0.09160 0.07190 ++ {0.0} {} 0.0 28.8882 0 {} 0 131 {10.HB2} 1.91892 0.04377 0.04179 ++ {0.0} {} {10.HN} 7.85851 0.07755 0.07156 ++ {0.0} {} 0.0 32.5848 0 {} 0 132 {10.HG1} 1.69937 0.03622 0.04098 ++ {0.0} {} {10.HN} 7.86055 0.07905 0.09348 ++ {0.0} {} 0.0 42.9386 0 {} 0 133 {5.HB1} 1.69665 0.04181 0.04528 ++ {0.0} {} {5.HN} 7.70794 0.03851 0.08530 ++ {0.0} {} 0.0 26.2197 0 {} 0 134 {5.HD11} 0.86460 0.02887 0.03929 ++ {0.0} {} {5.HN} 7.66565 0.13171 0.09614 ++ {0.0} {} 0.0 53.6897 0 {} 0 135 {7.HB} 1.89321 0.01405 0.04203 ++ {0.0} {} {7.HN} 7.76041 0.08128 0.06168 ++ {0.0} {} 0.0 22.6243 0 {} 0 136 {7.HG21} 0.72994 0.03680 0.04432 ++ {0.0} {} {7.HN} 7.76904 0.07579 0.07888 ++ {0.0} {} 0.0 39.2002 0 {} 0 137 {7.HG11} 0.68476 0.02516 0.02782 ++ {0.0} {} {7.HN} 7.76748 0.06718 0.09613 ++ {0.0} {} 0.0 31.7899 0 {} 0 138 {} 1.91268 0.01757 0.02510 ++ {0.0} {} {} 8.67484 0.06557 0.09367 ++ {0.0} {} 0.0 16.7669 -1 {} 0 139 {} 1.69490 0.03049 0.03077 ++ {0.0} {} {} 8.00868 0.08602 0.08684 ++ {0.0} {} 0.0 18.1419 -1 {} 0 140 {6.HB} 1.92386 0.05339 0.06710 ++ {0.0} {} {6.HN} 7.56332 0.08753 0.10737 ++ {0.0} {} 0.0 44.2263 0 {} 0 141 {6.HD11} 0.86460 0.02887 0.03574 ++ {0.0} {} {6.HN} 7.57283 0.13171 0.15629 ++ {0.0} {} 0.0 53.6897 0 {} 0 142 {8.HB1} 3.33037 0.02828 0.03297 ++ {0.0} {} {8.HN} 8.00500 0.07337 0.08670 ++ {0.0} {} 0.0 83.7738 0 {} 0 143 {8.HB2} 3.26328 0.03187 0.04553 ++ {0.0} {} {8.HN} 8.01056 0.06404 0.05219 ++ {0.0} {} 0.0 57.8505 0 {} 0 144 {10.HD1} 3.16000 0.03391 0.10554 ++ {0.0} {} {10.HE} 7.19641 0.06937 0.22831 ++ {0.0} {} 0.0 223.6190 0 {} 0 145 {2.HD1} 3.11820 0.03572 0.07067 ++ {0.0} {} {2.HE} 7.07634 0.05557 0.12996 ++ {0.0} {} 0.0 110.0040 0 {} 0 146 {10.HB1} 1.91592 0.04225 0.04118 ++ {0.0} {} {10.HE} 7.18620 0.05759 0.10085 ++ {0.0} {} 0.0 33.6860 0 {} 0 147 {10.HB1} 1.83187 0.04153 0.05402 ++ {0.0} {} {10.HE} 7.19687 0.06350 0.07201 ++ {0.0} {} 0.0 40.5357 0 {} 0 148 {2.HB2} 1.80557 0.05339 0.06710 ++ {0.0} {} {2.HE} 7.12771 0.08753 0.10737 ++ {0.0} {} 0.0 44.2263 0 {} 0 149 {10.HG1} 1.69703 0.04890 0.07909 ++ {0.0} {} {10.HE} 7.18571 0.06264 0.14668 ++ {0.0} {} 0.0 88.2496 0 {} 0 150 {3.HB1} 3.11044 0.05480 0.06144 ++ {0.0} {} {3.HA} 4.33570 0.06277 0.06818 ++ {0.0} {} 0.0 75.0162 0 {} 0 151 {3.HB2} 3.04917 0.03369 0.05432 ++ {0.0} {} {3.HA} 4.33487 0.05449 0.09985 ++ {0.0} {} 0.0 59.1033 0 {} 0 152 {} 1.31636 0.02349 0.03180 ++ {0.0} {} {} 4.16002 0.07089 0.08980 ++ {0.0} {} 0.0 46.2802 0 {} 0 153 {} 1.28427 0.01946 0.02114 ++ {0.0} {} {} 4.08808 0.06473 0.12082 ++ {0.0} {} 0.0 50.3649 0 {} 0 154 {} 1.25668 0.02297 0.02518 ++ {0.0} {} {} 4.07985 0.05902 0.11984 ++ {0.0} {} 0.0 52.8315 0 {} 0 155 {} 0.72965 0.02827 0.05803 ++ {0.0} {} {} 3.59502 0.05999 0.13468 ++ {0.0} {} 0.0 246.6452 -1 {} 0 156 {} 0.68564 0.02619 0.04514 ++ {0.0} {} {} 3.59556 0.05976 0.13284 ++ {0.0} {} 0.0 225.1861 -1 {} 0 157 {} 1.16119 0.01863 0.02645 ++ {0.0} {} {} 3.63431 0.08791 0.14521 ++ {0.0} {} 0.0 190.8776 0 {} 0 158 {} 1.13015 0.01874 0.02886 ++ {0.0} {} {} 3.63086 0.06146 0.14208 ++ {0.0} {} 0.0 204.1054 0 {} 0 159 {} 1.10861 0.02416 0.03117 ++ {0.0} {} {} 3.73574 0.07509 0.11542 ++ {0.0} {} 0.0 104.1841 0 {} 0 160 {6.HD11} 0.85523 0.02965 0.05122 ++ {0.0} {} {6.HG11} 1.23994 0.14870 0.23469 ++ {0.0} {} 0.0 513.3350 0 {} 0 161 {} 3.58801 0.03588 0.06006 ++ {0.0} {} {} 0.71874 0.07284 0.19628 ++ {0.0} {} 0.0 360.8699 0 {} 0 162 {} 3.72760 0.01652 0.03545 ++ {0.0} {} {} 1.11681 0.05838 0.10150 ++ {0.0} {} 0.0 61.0723 0 {} 0 163 {} 3.64807 0.01515 0.02036 ++ {0.0} {} {} 1.15318 0.06974 0.10157 ++ {0.0} {} 0.0 91.4027 0 {} 0 164 {} 3.62058 0.02026 0.03422 ++ {0.0} {} {} 1.15163 0.06180 0.13363 ++ {0.0} {} 0.0 265.4093 0 {} 0 165 {} 3.59304 0.01442 0.01945 ++ {0.0} {} {} 1.15289 0.07717 0.10956 ++ {0.0} {} 0.0 83.5013 0 {} 0 166 {10.HD1} 3.16643 0.05254 0.09776 ++ {0.0} {} {10.HG1} 1.70824 0.10860 0.17167 ++ {0.0} {} 0.0 453.3550 0 {} 0 167 {10.HD2} 3.16908 0.04991 0.07018 ++ {0.0} {} {10.HB1} 1.86962 0.09857 0.14081 ++ {0.0} {} 0.0 165.3650 0 {} 0 168 {5.HG} 1.80418 0.04791 0.07608 ++ {0.0} {} {5.HD21} 0.90419 0.07826 0.15000 ++ {0.0} {} 0.0 221.9630 0 {} 0 169 {5.HB1} 1.69659 0.05624 0.12028 ++ {0.0} {} {5.HD21} 0.90724 0.13003 0.20766 ++ {0.0} {} 0.0 552.9260 0 {} 0 170 {3.HZ} 7.57617 0.01950 0.04351 ++ {0.0} {} {3.HD1} 7.31230 0.07322 0.14144 ++ {0.0} {} 0.0 284.3810 0 {} 0 171 {3.HD1} 7.28857 0.02670 0.06155 ++ {0.0} {} {3.HE1} 7.66290 0.10975 0.21117 ++ {0.0} {} 0.0 481.3380 0 {} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 6009.615 Hz . . . 2350.76 . . c30451_6d2h 3 2 . . C 13 C . . 11319.654 Hz . . . 4401.52 . . c30451_6d2h 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 c30451_6d2h _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 10 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 c30451_6d2h _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 . . . c30451_6d2h 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 . . . . c30451_6d2h 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 SER C C 2.125 0.267 2.181 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 1 . 2 . 1 1 1 SER CA C 1.288 0.619 3.407 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 1 . 3 . 1 1 1 SER CB C -0.146 0.127 3.211 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 1 . 4 . 1 1 1 SER H1 H 1.544 2.332 4.546 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 1 . 5 . 1 1 1 SER H2 H 0.315 2.448 3.380 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 1 . 6 . 1 1 1 SER H3 H 1.952 2.521 2.914 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 1 . 7 . 1 1 1 SER HA H 1.716 0.159 4.282 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 1 . 8 . 1 1 1 SER HB2 H -0.139 -0.828 2.706 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 9 . 1 1 1 SER HB3 H -0.629 0.019 4.174 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 10 . 1 1 1 SER HG H -1.709 0.704 2.189 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 1 . 11 . 1 1 1 SER N N 1.271 2.090 3.575 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 1 . 12 . 1 1 1 SER O O 3.234 -0.258 2.293 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 1 . 13 . 1 1 1 SER OG O -0.849 1.080 2.412 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 1 . 14 . 1 1 2 ARG C C 3.616 0.949 -0.322 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 1 . 15 . 1 1 2 ARG CA C 2.264 0.256 -0.245 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 1 . 16 . 1 1 2 ARG CB C 1.405 0.718 -1.430 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 1 . 17 . 1 1 2 ARG CD C 1.491 0.995 -3.911 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 1 . 18 . 1 1 2 ARG CG C 1.975 0.154 -2.738 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 1 . 19 . 1 1 2 ARG CZ C 3.201 2.690 -3.892 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 1 . 20 . 1 1 2 ARG H H 0.690 0.969 0.981 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 1 . 21 . 1 1 2 ARG HA H 2.407 -0.808 -0.316 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 1 . 22 . 1 1 2 ARG HB2 H 0.395 0.366 -1.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 23 . 1 1 2 ARG HB3 H 1.405 1.796 -1.475 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 24 . 1 1 2 ARG HD2 H 1.901 0.605 -4.832 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 1 . 25 . 1 1 2 ARG HD3 H 0.411 0.968 -3.958 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 1 . 26 . 1 1 2 ARG HE H 1.308 3.009 -3.332 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 1 . 27 . 1 1 2 ARG HG2 H 3.054 0.172 -2.703 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 1 . 28 . 1 1 2 ARG HG3 H 1.643 -0.843 -2.865 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 1 . 29 . 1 1 2 ARG HH11 H 2.961 4.409 -2.967 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 1 . 30 . 1 1 2 ARG HH12 H 4.553 4.121 -3.584 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 1 . 31 . 1 1 2 ARG HH21 H 3.694 1.002 -4.852 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 1 . 32 . 1 1 2 ARG HH22 H 4.982 2.143 -4.651 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 1 . 33 . 1 1 2 ARG N N 1.580 0.555 1.006 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 1 . 34 . 1 1 2 ARG NE N 1.934 2.354 -3.707 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 1 . 35 . 1 1 2 ARG NH1 N 3.603 3.825 -3.448 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 1 . 36 . 1 1 2 ARG NH2 N 4.021 1.884 -4.512 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 1 . 37 . 1 1 2 ARG O O 4.612 0.346 -0.717 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 1 . 38 . 1 1 3 PHE C C 5.997 2.413 0.758 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 1 . 39 . 1 1 3 PHE CA C 4.860 3.011 -0.064 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 1 . 40 . 1 1 3 PHE CB C 4.581 4.422 0.433 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 1 . 41 . 1 1 3 PHE CD1 C 5.179 5.633 -1.674 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 1 . 42 . 1 1 3 PHE CD2 C 2.864 5.593 -0.963 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 1 . 43 . 1 1 3 PHE CE1 C 4.823 6.353 -2.808 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 1 . 44 . 1 1 3 PHE CE2 C 2.507 6.325 -2.095 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 1 . 45 . 1 1 3 PHE CG C 4.199 5.250 -0.754 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 1 . 46 . 1 1 3 PHE CZ C 3.490 6.699 -3.017 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 1 . 47 . 1 1 3 PHE H H 2.806 2.662 0.306 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 1 . 48 . 1 1 3 PHE HA H 5.157 3.080 -1.109 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 1 . 49 . 1 1 3 PHE HB2 H 3.774 4.402 1.146 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 50 . 1 1 3 PHE HB3 H 5.464 4.831 0.896 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 51 . 1 1 3 PHE HD1 H 6.211 5.368 -1.507 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 1 . 52 . 1 1 3 PHE HD2 H 2.113 5.302 -0.245 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 1 . 53 . 1 1 3 PHE HE1 H 5.579 6.654 -3.521 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 1 . 54 . 1 1 3 PHE HE2 H 1.475 6.595 -2.265 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 1 . 55 . 1 1 3 PHE HZ H 3.222 7.239 -3.893 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 1 . 56 . 1 1 3 PHE N N 3.636 2.228 0.019 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 1 . 57 . 1 1 3 PHE O O 7.129 2.311 0.283 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 1 . 58 . 1 1 4 GLU C C 7.280 0.178 2.345 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 1 . 59 . 1 1 4 GLU CA C 6.715 1.487 2.869 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 1 . 60 . 1 1 4 GLU CB C 6.121 1.276 4.257 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 1 . 61 . 1 1 4 GLU CD C 3.934 2.464 4.341 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 1 . 62 . 1 1 4 GLU CG C 5.403 2.553 4.703 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 1 . 63 . 1 1 4 GLU H H 4.787 2.154 2.330 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 1 . 64 . 1 1 4 GLU HA H 7.519 2.200 2.944 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 1 . 65 . 1 1 4 GLU HB2 H 5.418 0.454 4.226 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 66 . 1 1 4 GLU HB3 H 6.904 1.048 4.951 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 67 . 1 1 4 GLU HG2 H 5.505 2.667 5.773 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 1 . 68 . 1 1 4 GLU HG3 H 5.841 3.409 4.207 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 1 . 69 . 1 1 4 GLU N N 5.702 2.036 1.990 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 1 . 70 . 1 1 4 GLU O O 8.484 -0.062 2.448 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 1 . 71 . 1 1 4 GLU OE1 O 3.166 2.035 5.179 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 1 . 72 . 1 1 4 GLU OE2 O 3.595 2.813 3.224 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 1 . 73 . 1 1 5 LEU C C 7.960 -1.693 0.219 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 1 . 74 . 1 1 5 LEU CA C 6.885 -1.941 1.262 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 1 . 75 . 1 1 5 LEU CB C 5.706 -2.689 0.645 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 1 . 76 . 1 1 5 LEU CD1 C 3.652 -3.217 1.952 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 1 . 77 . 1 1 5 LEU CD2 C 5.117 -5.071 1.152 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 1 . 78 . 1 1 5 LEU CG C 5.094 -3.634 1.682 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 1 . 79 . 1 1 5 LEU H H 5.477 -0.439 1.721 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 1 . 80 . 1 1 5 LEU HA H 7.299 -2.529 2.068 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 1 . 81 . 1 1 5 LEU HB2 H 4.961 -1.977 0.323 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 82 . 1 1 5 LEU HB3 H 6.040 -3.257 -0.200 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 83 . 1 1 5 LEU HD11 H 3.054 -4.093 2.135 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 1 . 84 . 1 1 5 LEU HD12 H 3.262 -2.682 1.096 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 1 . 85 . 1 1 5 LEU HD13 H 3.625 -2.575 2.819 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 1 . 86 . 1 1 5 LEU HD21 H 6.124 -5.331 0.860 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 1 . 87 . 1 1 5 LEU HD22 H 4.464 -5.155 0.296 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 1 . 88 . 1 1 5 LEU HD23 H 4.785 -5.745 1.927 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 1 . 89 . 1 1 5 LEU HG H 5.660 -3.581 2.600 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 1 . 90 . 1 1 5 LEU N N 6.426 -0.668 1.786 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 1 . 91 . 1 1 5 LEU O O 8.874 -2.500 0.040 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 1 . 92 . 1 1 6 ILE C C 9.993 0.524 -0.837 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 1 . 93 . 1 1 6 ILE CA C 8.807 -0.188 -1.473 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 1 . 94 . 1 1 6 ILE CB C 8.154 0.738 -2.500 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 1 . 95 . 1 1 6 ILE CD1 C 6.968 -1.374 -3.134 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 1 . 96 . 1 1 6 ILE CG1 C 6.827 0.139 -2.969 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 1 . 97 . 1 1 6 ILE CG2 C 9.076 0.903 -3.712 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 1 . 98 . 1 1 6 ILE H H 7.106 0.037 -0.261 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 1 . 99 . 1 1 6 ILE HA H 9.144 -1.079 -1.965 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 1 . 100 . 1 1 6 ILE HB H 7.973 1.705 -2.044 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 1 . 101 . 1 1 6 ILE HD11 H 7.924 -1.597 -3.580 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 1 . 102 . 1 1 6 ILE HD12 H 6.179 -1.739 -3.770 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 1 . 103 . 1 1 6 ILE HD13 H 6.902 -1.851 -2.166 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 1 . 104 . 1 1 6 ILE HG12 H 6.064 0.352 -2.242 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 1 . 105 . 1 1 6 ILE HG13 H 6.555 0.578 -3.916 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 1 . 106 . 1 1 6 ILE HG21 H 9.926 1.510 -3.439 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 1 . 107 . 1 1 6 ILE HG22 H 8.536 1.383 -4.515 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 1 . 108 . 1 1 6 ILE HG23 H 9.418 -0.068 -4.039 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 1 . 109 . 1 1 6 ILE N N 7.846 -0.562 -0.456 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 1 . 110 . 1 1 6 ILE O O 11.152 0.164 -1.063 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 1 . 111 . 1 1 7 VAL C C 11.615 1.428 1.474 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 1 . 112 . 1 1 7 VAL CA C 10.734 2.328 0.614 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 1 . 113 . 1 1 7 VAL CB C 10.102 3.428 1.481 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 1 . 114 . 1 1 7 VAL CG1 C 11.188 4.376 2.006 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 1 . 115 . 1 1 7 VAL CG2 C 9.110 4.236 0.638 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 1 . 116 . 1 1 7 VAL H H 8.744 1.779 0.090 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 1 . 117 . 1 1 7 VAL HA H 11.348 2.795 -0.145 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 1 . 118 . 1 1 7 VAL HB H 9.583 2.977 2.317 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 1 . 119 . 1 1 7 VAL HG11 H 11.604 4.941 1.184 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 1 . 120 . 1 1 7 VAL HG12 H 11.971 3.803 2.481 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 1 . 121 . 1 1 7 VAL HG13 H 10.757 5.058 2.725 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 1 . 122 . 1 1 7 VAL HG21 H 8.134 4.197 1.095 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 1 . 123 . 1 1 7 VAL HG22 H 9.057 3.821 -0.359 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 1 . 124 . 1 1 7 VAL HG23 H 9.437 5.263 0.581 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 1 . 125 . 1 1 7 VAL N N 9.691 1.544 -0.046 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 1 . 126 . 1 1 7 VAL O O 12.764 1.764 1.762 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 1 . 127 . 1 1 8 HIS C C 13.216 -0.915 2.090 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 1 . 128 . 1 1 8 HIS CA C 11.829 -0.656 2.695 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 1 . 129 . 1 1 8 HIS CB C 11.041 -1.970 2.830 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 1 . 130 . 1 1 8 HIS CD2 C 12.318 -4.141 3.583 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 1 . 131 . 1 1 8 HIS CE1 C 13.317 -4.583 1.714 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 1 . 132 . 1 1 8 HIS CG C 11.953 -3.159 2.697 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 1 . 133 . 1 1 8 HIS H H 10.154 0.067 1.606 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 1 . 134 . 1 1 8 HIS HA H 11.957 -0.229 3.677 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 1 . 135 . 1 1 8 HIS HB2 H 10.563 -1.999 3.797 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 136 . 1 1 8 HIS HB3 H 10.284 -2.012 2.059 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 137 . 1 1 8 HIS HD2 H 11.987 -4.204 4.609 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 1 . 138 . 1 1 8 HIS HE1 H 13.924 -5.060 0.956 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 1 . 139 . 1 1 8 HIS HE2 H 13.589 -5.842 3.351 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 1 . 140 . 1 1 8 HIS N N 11.077 0.283 1.870 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 1 . 141 . 1 1 8 HIS ND1 N 12.602 -3.460 1.514 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 1 . 142 . 1 1 8 HIS NE2 N 13.179 -5.040 2.960 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 1 . 143 . 1 1 8 HIS O O 14.163 -1.246 2.809 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 1 . 144 . 1 1 9 GLN C C 15.601 0.138 0.460 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 1 . 145 . 1 1 9 GLN CA C 14.611 -0.975 0.104 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 1 . 146 . 1 1 9 GLN CB C 14.409 -1.043 -1.420 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 1 . 147 . 1 1 9 GLN CD C 14.953 1.008 -2.768 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 1 . 148 . 1 1 9 GLN CG C 13.884 0.302 -1.940 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 1 . 149 . 1 1 9 GLN H H 12.559 -0.489 0.247 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 1 . 150 . 1 1 9 GLN HA H 15.017 -1.916 0.438 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 1 . 151 . 1 1 9 GLN HB2 H 15.348 -1.279 -1.901 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 152 . 1 1 9 GLN HB3 H 13.691 -1.816 -1.653 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 153 . 1 1 9 GLN HE21 H 16.468 0.026 -1.943 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 1 . 154 . 1 1 9 GLN HE22 H 16.895 1.152 -3.138 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 1 . 155 . 1 1 9 GLN HG2 H 13.012 0.129 -2.556 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 1 . 156 . 1 1 9 GLN HG3 H 13.611 0.927 -1.104 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 1 . 157 . 1 1 9 GLN N N 13.335 -0.756 0.774 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 1 . 158 . 1 1 9 GLN NE2 N 16.208 0.705 -2.601 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 1 . 159 . 1 1 9 GLN O O 16.811 -0.020 0.277 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 1 . 160 . 1 1 9 GLN OE1 O 14.635 1.870 -3.585 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 1 . 161 . 1 1 10 ARG C C 16.990 2.660 0.290 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 1 . 162 . 1 1 10 ARG CA C 15.918 2.397 1.350 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 1 . 163 . 1 1 10 ARG CB C 16.583 2.145 2.711 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 1 . 164 . 1 1 10 ARG CD C 14.750 1.513 4.335 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 1 . 165 . 1 1 10 ARG CG C 15.663 2.644 3.845 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 1 . 166 . 1 1 10 ARG CZ C 16.470 -0.086 5.001 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 1 . 167 . 1 1 10 ARG H H 14.106 1.321 1.096 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 1 . 168 . 1 1 10 ARG HA H 15.293 3.272 1.430 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 1 . 169 . 1 1 10 ARG HB2 H 16.778 1.090 2.827 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 1 . 170 . 1 1 10 ARG HB3 H 17.519 2.684 2.754 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 1 . 171 . 1 1 10 ARG HD2 H 14.478 1.689 5.368 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 1 . 172 . 1 1 10 ARG HD3 H 13.851 1.497 3.735 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 1 . 173 . 1 1 10 ARG HE H 15.109 -0.431 3.560 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 1 . 174 . 1 1 10 ARG HG2 H 16.272 2.995 4.667 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 1 . 175 . 1 1 10 ARG HG3 H 15.055 3.459 3.482 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 1 . 176 . 1 1 10 ARG HH11 H 16.770 -1.876 4.149 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 1 . 177 . 1 1 10 ARG HH12 H 17.867 -1.461 5.425 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 1 . 178 . 1 1 10 ARG HH21 H 16.404 1.629 6.032 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 1 . 179 . 1 1 10 ARG HH22 H 17.654 0.528 6.499 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 1 . 180 . 1 1 10 ARG N N 15.080 1.258 0.969 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 1 . 181 . 1 1 10 ARG NE N 15.428 0.222 4.229 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 1 . 182 . 1 1 10 ARG NH1 N 17.082 -1.229 4.847 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 1 . 183 . 1 1 10 ARG NH2 N 16.875 0.755 5.912 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 1 . 184 . 1 1 10 ARG O O 18.182 2.736 0.606 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 1 . 185 . 1 1 11 NH2 HN1 H 15.696 2.745 -1.207 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 1 . 186 . 1 1 11 NH2 HN2 H 17.321 2.977 -1.640 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 1 . 187 . 1 1 11 NH2 N N 16.640 2.804 -0.954 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 2 . 188 . 1 1 1 SER C C 2.383 -0.076 2.289 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 2 . 189 . 1 1 1 SER CA C 1.787 0.271 3.652 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 2 . 190 . 1 1 1 SER CB C 0.985 -0.905 4.209 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 2 . 191 . 1 1 1 SER H1 H 1.283 2.244 4.050 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 2 . 192 . 1 1 1 SER H2 H -0.047 1.189 3.923 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 2 . 193 . 1 1 1 SER H3 H 0.776 1.697 2.529 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 2 . 194 . 1 1 1 SER HA H 2.585 0.514 4.334 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 2 . 195 . 1 1 1 SER HB2 H 0.865 -1.661 3.455 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 196 . 1 1 1 SER HB3 H 1.513 -1.321 5.053 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 197 . 1 1 1 SER HG H -0.688 -1.104 5.194 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 2 . 198 . 1 1 1 SER N N 0.882 1.438 3.526 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 2 . 199 . 1 1 1 SER O O 3.533 -0.511 2.199 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 2 . 200 . 1 1 1 SER OG O -0.297 -0.438 4.615 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 2 . 201 . 1 1 2 ARG C C 3.351 0.551 -0.447 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 2 . 202 . 1 1 2 ARG CA C 2.068 -0.207 -0.114 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 2 . 203 . 1 1 2 ARG CB C 0.984 0.163 -1.127 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 2 . 204 . 1 1 2 ARG CD C 0.322 -0.165 -3.502 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 2 . 205 . 1 1 2 ARG CG C 1.046 -0.792 -2.317 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 2 . 206 . 1 1 2 ARG CZ C 2.118 1.058 -4.515 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 2 . 207 . 1 1 2 ARG H H 0.691 0.449 1.350 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 2 . 208 . 1 1 2 ARG HA H 2.256 -1.268 -0.180 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 2 . 209 . 1 1 2 ARG HB2 H 0.013 0.093 -0.661 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 210 . 1 1 2 ARG HB3 H 1.144 1.174 -1.470 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 211 . 1 1 2 ARG HD2 H 0.347 -0.835 -4.347 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 2 . 212 . 1 1 2 ARG HD3 H -0.704 0.040 -3.232 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 2 . 213 . 1 1 2 ARG HE H 0.663 1.911 -3.443 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 2 . 214 . 1 1 2 ARG HG2 H 2.078 -0.983 -2.575 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 2 . 215 . 1 1 2 ARG HG3 H 0.571 -1.707 -2.063 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 2 . 216 . 1 1 2 ARG HH11 H 2.541 2.913 -3.999 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 2 . 217 . 1 1 2 ARG HH12 H 3.690 2.160 -5.054 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 2 . 218 . 1 1 2 ARG HH21 H 1.888 -0.817 -5.190 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 2 . 219 . 1 1 2 ARG HH22 H 3.331 -0.013 -5.710 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 2 . 220 . 1 1 2 ARG N N 1.601 0.109 1.228 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 2 . 221 . 1 1 2 ARG NE N 0.990 1.068 -3.831 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 2 . 222 . 1 1 2 ARG NH1 N 2.842 2.122 -4.522 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 2 . 223 . 1 1 2 ARG NH2 N 2.474 -0.004 -5.191 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 2 . 224 . 1 1 2 ARG O O 4.339 -0.044 -0.874 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 2 . 225 . 1 1 3 PHE C C 5.617 2.396 0.438 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 2 . 226 . 1 1 3 PHE CA C 4.504 2.671 -0.563 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 2 . 227 . 1 1 3 PHE CB C 4.134 4.148 -0.559 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 2 . 228 . 1 1 3 PHE CD1 C 5.013 4.597 -2.853 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 2 . 229 . 1 1 3 PHE CD2 C 2.627 4.792 -2.465 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 2 . 230 . 1 1 3 PHE CE1 C 4.826 4.902 -4.195 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 2 . 231 . 1 1 3 PHE CE2 C 2.441 5.110 -3.813 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 2 . 232 . 1 1 3 PHE CG C 3.916 4.541 -1.988 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 2 . 233 . 1 1 3 PHE CZ C 3.545 5.158 -4.675 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 2 . 234 . 1 1 3 PHE H H 2.519 2.293 0.076 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 2 . 235 . 1 1 3 PHE HA H 4.852 2.415 -1.562 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 2 . 236 . 1 1 3 PHE HB2 H 3.231 4.301 0.012 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 237 . 1 1 3 PHE HB3 H 4.940 4.729 -0.138 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 238 . 1 1 3 PHE HD1 H 6.008 4.402 -2.479 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 2 . 239 . 1 1 3 PHE HD2 H 1.782 4.752 -1.793 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 2 . 240 . 1 1 3 PHE HE1 H 5.676 4.944 -4.862 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 2 . 241 . 1 1 3 PHE HE2 H 1.448 5.313 -4.192 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 2 . 242 . 1 1 3 PHE HZ H 3.407 5.380 -5.709 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 2 . 243 . 1 1 3 PHE N N 3.332 1.863 -0.261 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 2 . 244 . 1 1 3 PHE O O 6.803 2.432 0.098 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 2 . 245 . 1 1 4 GLU C C 7.040 0.649 2.376 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 2 . 246 . 1 1 4 GLU CA C 6.170 1.849 2.737 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 2 . 247 . 1 1 4 GLU CB C 5.407 1.587 4.037 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 2 . 248 . 1 1 4 GLU CD C 3.292 2.941 3.955 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 2 . 249 . 1 1 4 GLU CG C 4.712 2.877 4.498 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 2 . 250 . 1 1 4 GLU H H 4.268 2.119 1.886 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 2 . 251 . 1 1 4 GLU HA H 6.805 2.711 2.871 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 2 . 252 . 1 1 4 GLU HB2 H 4.670 0.814 3.874 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 253 . 1 1 4 GLU HB3 H 6.098 1.265 4.794 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 254 . 1 1 4 GLU HG2 H 4.682 2.898 5.581 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 2 . 255 . 1 1 4 GLU HG3 H 5.271 3.728 4.144 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 2 . 256 . 1 1 4 GLU N N 5.223 2.126 1.677 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 2 . 257 . 1 1 4 GLU O O 8.238 0.630 2.670 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 2 . 258 . 1 1 4 GLU OE1 O 2.379 3.040 4.749 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 2 . 259 . 1 1 4 GLU OE2 O 3.130 2.892 2.750 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 2 . 260 . 1 1 5 LEU C C 8.244 -1.143 0.293 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 2 . 261 . 1 1 5 LEU CA C 7.190 -1.514 1.328 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 2 . 262 . 1 1 5 LEU CB C 6.231 -2.534 0.744 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 2 . 263 . 1 1 5 LEU CD1 C 3.912 -3.198 1.381 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 2 . 264 . 1 1 5 LEU CD2 C 5.870 -4.493 2.253 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 2 . 265 . 1 1 5 LEU CG C 5.358 -3.101 1.865 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 2 . 266 . 1 1 5 LEU H H 5.496 -0.286 1.502 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 2 . 267 . 1 1 5 LEU HA H 7.674 -1.941 2.195 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 2 . 268 . 1 1 5 LEU HB2 H 5.607 -2.057 0.001 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 269 . 1 1 5 LEU HB3 H 6.789 -3.321 0.286 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 270 . 1 1 5 LEU HD11 H 3.768 -4.126 0.849 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 2 . 271 . 1 1 5 LEU HD12 H 3.698 -2.369 0.725 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 2 . 272 . 1 1 5 LEU HD13 H 3.247 -3.160 2.231 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 2 . 273 . 1 1 5 LEU HD21 H 6.950 -4.499 2.230 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 2 . 274 . 1 1 5 LEU HD22 H 5.490 -5.222 1.555 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 2 . 275 . 1 1 5 LEU HD23 H 5.532 -4.737 3.249 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 2 . 276 . 1 1 5 LEU HG H 5.401 -2.446 2.727 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 2 . 277 . 1 1 5 LEU N N 6.448 -0.342 1.727 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 2 . 278 . 1 1 5 LEU O O 9.297 -1.775 0.202 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 2 . 279 . 1 1 6 ILE C C 10.049 1.046 -0.861 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 2 . 280 . 1 1 6 ILE CA C 8.866 0.350 -1.509 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 2 . 281 . 1 1 6 ILE CB C 8.152 1.335 -2.438 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 2 . 282 . 1 1 6 ILE CD1 C 6.777 -0.623 -3.162 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 2 . 283 . 1 1 6 ILE CG1 C 6.731 0.838 -2.720 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 2 . 284 . 1 1 6 ILE CG2 C 8.920 1.451 -3.760 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 2 . 285 . 1 1 6 ILE H H 7.094 0.348 -0.365 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 2 . 286 . 1 1 6 ILE HA H 9.214 -0.491 -2.082 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 2 . 287 . 1 1 6 ILE HB H 8.103 2.304 -1.958 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 2 . 288 . 1 1 6 ILE HD11 H 7.512 -0.734 -3.946 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 2 . 289 . 1 1 6 ILE HD12 H 5.807 -0.915 -3.528 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 2 . 290 . 1 1 6 ILE HD13 H 7.047 -1.246 -2.323 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 2 . 291 . 1 1 6 ILE HG12 H 6.138 0.926 -1.827 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 2 . 292 . 1 1 6 ILE HG13 H 6.287 1.436 -3.505 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 2 . 293 . 1 1 6 ILE HG21 H 8.559 2.306 -4.311 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 2 . 294 . 1 1 6 ILE HG22 H 8.763 0.556 -4.345 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 2 . 295 . 1 1 6 ILE HG23 H 9.975 1.570 -3.560 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 2 . 296 . 1 1 6 ILE N N 7.946 -0.112 -0.483 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 2 . 297 . 1 1 6 ILE O O 11.199 0.673 -1.079 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 2 . 298 . 1 1 7 VAL C C 11.627 1.802 1.506 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 2 . 299 . 1 1 7 VAL CA C 10.818 2.769 0.649 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 2 . 300 . 1 1 7 VAL CB C 10.228 3.887 1.512 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 2 . 301 . 1 1 7 VAL CG1 C 9.507 4.907 0.625 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 2 . 302 . 1 1 7 VAL CG2 C 9.229 3.301 2.508 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 2 . 303 . 1 1 7 VAL H H 8.818 2.284 0.113 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 2 . 304 . 1 1 7 VAL HA H 11.476 3.208 -0.090 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 2 . 305 . 1 1 7 VAL HB H 11.027 4.381 2.048 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 2 . 306 . 1 1 7 VAL HG11 H 10.191 5.287 -0.120 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 2 . 307 . 1 1 7 VAL HG12 H 9.152 5.726 1.234 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 2 . 308 . 1 1 7 VAL HG13 H 8.668 4.433 0.136 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 2 . 309 . 1 1 7 VAL HG21 H 8.493 2.724 1.973 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 2 . 310 . 1 1 7 VAL HG22 H 8.741 4.103 3.041 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 2 . 311 . 1 1 7 VAL HG23 H 9.746 2.663 3.210 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 2 . 312 . 1 1 7 VAL N N 9.758 2.044 -0.040 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 2 . 313 . 1 1 7 VAL O O 12.805 2.033 1.783 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 2 . 314 . 1 1 8 HIS C C 12.910 -0.796 1.992 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 2 . 315 . 1 1 8 HIS CA C 11.647 -0.316 2.700 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 2 . 316 . 1 1 8 HIS CB C 10.701 -1.503 2.915 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 2 . 317 . 1 1 8 HIS CD2 C 11.828 -3.471 4.245 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 2 . 318 . 1 1 8 HIS CE1 C 11.433 -2.762 6.255 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 2 . 319 . 1 1 8 HIS CG C 11.144 -2.287 4.120 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 2 . 320 . 1 1 8 HIS H H 10.057 0.573 1.627 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 2 . 321 . 1 1 8 HIS HA H 11.914 0.101 3.659 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 2 . 322 . 1 1 8 HIS HB2 H 9.696 -1.139 3.070 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 323 . 1 1 8 HIS HB3 H 10.720 -2.140 2.043 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 324 . 1 1 8 HIS HD2 H 12.177 -4.078 3.420 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 2 . 325 . 1 1 8 HIS HE1 H 11.405 -2.679 7.332 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 2 . 326 . 1 1 8 HIS HE2 H 12.461 -4.559 5.974 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 2 . 327 . 1 1 8 HIS N N 10.988 0.705 1.898 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 2 . 328 . 1 1 8 HIS ND1 N 10.902 -1.853 5.414 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 2 . 329 . 1 1 8 HIS NE2 N 12.010 -3.771 5.593 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 2 . 330 . 1 1 8 HIS O O 13.761 -1.447 2.599 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 2 . 331 . 1 1 9 GLN C C 15.476 -0.426 0.581 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 2 . 332 . 1 1 9 GLN CA C 14.174 -0.881 -0.081 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 2 . 333 . 1 1 9 GLN CB C 14.072 -0.288 -1.492 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 2 . 334 . 1 1 9 GLN CD C 13.158 1.784 -2.582 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 2 . 335 . 1 1 9 GLN CG C 13.969 1.243 -1.409 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 2 . 336 . 1 1 9 GLN H H 12.301 0.042 0.276 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 2 . 337 . 1 1 9 GLN HA H 14.180 -1.957 -0.155 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 2 . 338 . 1 1 9 GLN HB2 H 14.950 -0.561 -2.061 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 339 . 1 1 9 GLN HB3 H 13.192 -0.677 -1.982 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 340 . 1 1 9 GLN HE21 H 13.758 0.376 -3.845 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 2 . 341 . 1 1 9 GLN HE22 H 12.686 1.523 -4.492 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 2 . 342 . 1 1 9 GLN HG2 H 13.483 1.521 -0.487 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 2 . 343 . 1 1 9 GLN HG3 H 14.960 1.670 -1.433 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 2 . 344 . 1 1 9 GLN N N 13.018 -0.475 0.707 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 2 . 345 . 1 1 9 GLN NE2 N 13.204 1.177 -3.734 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 2 . 346 . 1 1 9 GLN O O 16.448 -1.177 0.632 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 2 . 347 . 1 1 9 GLN OE1 O 12.463 2.793 -2.446 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 2 . 348 . 1 1 10 ARG C C 17.927 1.039 0.874 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 2 . 349 . 1 1 10 ARG CA C 16.688 1.345 1.720 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 2 . 350 . 1 1 10 ARG CB C 16.850 0.748 3.124 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 2 . 351 . 1 1 10 ARG CD C 14.614 1.156 4.180 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 2 . 352 . 1 1 10 ARG CG C 16.077 1.603 4.134 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 2 . 353 . 1 1 10 ARG CZ C 14.646 -0.667 5.794 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 2 . 354 . 1 1 10 ARG H H 14.690 1.366 1.009 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 2 . 355 . 1 1 10 ARG HA H 16.584 2.417 1.809 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 2 . 356 . 1 1 10 ARG HB2 H 16.470 -0.264 3.133 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 2 . 357 . 1 1 10 ARG HB3 H 17.895 0.738 3.395 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 2 . 358 . 1 1 10 ARG HD2 H 14.080 1.745 4.912 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 2 . 359 . 1 1 10 ARG HD3 H 14.166 1.310 3.213 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 2 . 360 . 1 1 10 ARG HE H 14.344 -0.924 3.820 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 2 . 361 . 1 1 10 ARG HG2 H 16.523 1.494 5.114 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 2 . 362 . 1 1 10 ARG HG3 H 16.125 2.641 3.833 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 2 . 363 . 1 1 10 ARG HH11 H 14.376 -2.604 5.357 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 2 . 364 . 1 1 10 ARG HH12 H 14.647 -2.246 7.032 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 2 . 365 . 1 1 10 ARG HH21 H 14.958 1.178 6.507 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 2 . 366 . 1 1 10 ARG HH22 H 14.980 -0.089 7.683 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 2 . 367 . 1 1 10 ARG N N 15.493 0.807 1.080 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 2 . 368 . 1 1 10 ARG NE N 14.518 -0.258 4.534 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 2 . 369 . 1 1 10 ARG NH1 N 14.548 -1.937 6.083 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 2 . 370 . 1 1 10 ARG NH2 N 14.877 0.207 6.735 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 2 . 371 . 1 1 10 ARG O O 18.872 0.410 1.351 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 2 . 372 . 1 1 11 NH2 HN1 H 17.223 1.942 -0.748 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 2 . 373 . 1 1 11 NH2 HN2 H 18.760 1.239 -0.915 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 2 . 374 . 1 1 11 NH2 N N 17.973 1.440 -0.366 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 3 . 375 . 1 1 1 SER C C 2.736 -0.785 2.245 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 3 . 376 . 1 1 1 SER CA C 2.036 -0.756 3.605 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 3 . 377 . 1 1 1 SER CB C 0.852 0.208 3.591 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 3 . 378 . 1 1 1 SER H1 H 2.471 0.156 5.407 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 3 . 379 . 1 1 1 SER H2 H 3.692 0.313 4.239 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 3 . 380 . 1 1 1 SER H3 H 3.472 -1.163 5.048 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 3 . 381 . 1 1 1 SER HA H 1.679 -1.749 3.833 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 3 . 382 . 1 1 1 SER HB2 H 0.966 0.909 2.786 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 383 . 1 1 1 SER HB3 H -0.054 -0.356 3.446 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 384 . 1 1 1 SER HG H 1.407 1.665 4.781 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 3 . 385 . 1 1 1 SER N N 2.992 -0.332 4.655 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 3 . 386 . 1 1 1 SER O O 3.957 -0.923 2.173 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 3 . 387 . 1 1 1 SER OG O 0.795 0.911 4.832 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 3 . 388 . 1 1 2 ARG C C 3.521 0.333 -0.463 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 3 . 389 . 1 1 2 ARG CA C 2.471 -0.743 -0.187 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 3 . 390 . 1 1 2 ARG CB C 1.321 -0.582 -1.189 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 3 . 391 . 1 1 2 ARG CD C 0.730 -0.667 -3.604 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 3 . 392 . 1 1 2 ARG CG C 1.720 -1.157 -2.554 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 3 . 393 . 1 1 2 ARG CZ C 1.767 1.395 -4.299 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 3 . 394 . 1 1 2 ARG H H 0.976 -0.605 1.307 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 3 . 395 . 1 1 2 ARG HA H 2.920 -1.708 -0.339 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 3 . 396 . 1 1 2 ARG HB2 H 0.449 -1.099 -0.823 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 397 . 1 1 2 ARG HB3 H 1.093 0.466 -1.303 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 398 . 1 1 2 ARG HD2 H 0.981 -1.081 -4.569 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 3 . 399 . 1 1 2 ARG HD3 H -0.270 -0.970 -3.327 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 3 . 400 . 1 1 2 ARG HE H 0.164 1.300 -3.109 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 3 . 401 . 1 1 2 ARG HG2 H 2.720 -0.829 -2.812 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 3 . 402 . 1 1 2 ARG HG3 H 1.694 -2.216 -2.516 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 3 . 403 . 1 1 2 ARG HH11 H 1.342 3.109 -3.425 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 3 . 404 . 1 1 2 ARG HH12 H 2.636 3.169 -4.579 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 3 . 405 . 1 1 2 ARG HH21 H 2.388 -0.228 -5.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 3 . 406 . 1 1 2 ARG HH22 H 3.254 1.230 -5.642 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 3 . 407 . 1 1 2 ARG N N 1.945 -0.687 1.177 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 3 . 408 . 1 1 2 ARG NE N 0.795 0.776 -3.653 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 3 . 409 . 1 1 2 ARG NH1 N 1.934 2.652 -4.086 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 3 . 410 . 1 1 2 ARG NH2 N 2.530 0.748 -5.141 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 3 . 411 . 1 1 2 ARG O O 4.589 0.037 -0.994 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 3 . 412 . 1 1 3 PHE C C 5.390 2.600 0.452 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 3 . 413 . 1 1 3 PHE CA C 4.137 2.675 -0.414 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 3 . 414 . 1 1 3 PHE CB C 3.449 4.025 -0.211 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 3 . 415 . 1 1 3 PHE CD1 C 4.921 5.223 -1.857 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 3 . 416 . 1 1 3 PHE CD2 C 2.544 5.065 -2.307 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 3 . 417 . 1 1 3 PHE CE1 C 5.109 5.892 -3.066 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 3 . 418 . 1 1 3 PHE CE2 C 2.730 5.743 -3.509 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 3 . 419 . 1 1 3 PHE CG C 3.637 4.807 -1.480 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 3 . 420 . 1 1 3 PHE CZ C 4.012 6.154 -3.887 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 3 . 421 . 1 1 3 PHE H H 2.329 1.772 0.258 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 3 . 422 . 1 1 3 PHE HA H 4.440 2.620 -1.457 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 3 . 423 . 1 1 3 PHE HB2 H 2.397 3.873 -0.024 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 424 . 1 1 3 PHE HB3 H 3.900 4.550 0.615 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 425 . 1 1 3 PHE HD1 H 5.765 5.023 -1.213 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 3 . 426 . 1 1 3 PHE HD2 H 1.554 4.752 -2.014 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 3 . 427 . 1 1 3 PHE HE1 H 6.099 6.214 -3.365 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 3 . 428 . 1 1 3 PHE HE2 H 1.885 5.948 -4.150 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 3 . 429 . 1 1 3 PHE HZ H 4.154 6.659 -4.819 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 3 . 430 . 1 1 3 PHE N N 3.205 1.580 -0.141 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 3 . 431 . 1 1 3 PHE O O 6.499 2.845 -0.025 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 3 . 432 . 1 1 4 GLU C C 7.387 1.192 2.151 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 3 . 433 . 1 1 4 GLU CA C 6.349 2.209 2.631 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 3 . 434 . 1 1 4 GLU CB C 5.863 1.832 4.027 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 3 . 435 . 1 1 4 GLU CD C 3.439 2.399 4.293 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 3 . 436 . 1 1 4 GLU CG C 4.860 2.879 4.530 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 3 . 437 . 1 1 4 GLU H H 4.317 2.112 2.071 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 3 . 438 . 1 1 4 GLU HA H 6.815 3.180 2.682 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 3 . 439 . 1 1 4 GLU HB2 H 5.389 0.862 3.991 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 440 . 1 1 4 GLU HB3 H 6.702 1.793 4.695 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 441 . 1 1 4 GLU HG2 H 5.011 3.037 5.588 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 3 . 442 . 1 1 4 GLU HG3 H 5.014 3.812 4.004 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 3 . 443 . 1 1 4 GLU N N 5.219 2.283 1.724 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 3 . 444 . 1 1 4 GLU O O 8.581 1.376 2.377 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 3 . 445 . 1 1 4 GLU OE1 O 3.187 1.859 3.233 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 3 . 446 . 1 1 4 GLU OE2 O 2.620 2.563 5.177 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 3 . 447 . 1 1 5 LEU C C 8.882 -0.279 0.059 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 3 . 448 . 1 1 5 LEU CA C 7.860 -0.886 1.000 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 3 . 449 . 1 1 5 LEU CB C 7.076 -1.955 0.252 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 3 . 450 . 1 1 5 LEU CD1 C 4.967 -3.147 0.848 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 3 . 451 . 1 1 5 LEU CD2 C 7.165 -4.248 1.255 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 3 . 452 . 1 1 5 LEU CG C 6.419 -2.907 1.250 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 3 . 453 . 1 1 5 LEU H H 5.986 0.012 1.316 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 3 . 454 . 1 1 5 LEU HA H 8.370 -1.343 1.836 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 3 . 455 . 1 1 5 LEU HB2 H 6.315 -1.483 -0.352 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 456 . 1 1 5 LEU HB3 H 7.742 -2.503 -0.381 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 457 . 1 1 5 LEU HD11 H 4.362 -3.248 1.735 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 3 . 458 . 1 1 5 LEU HD12 H 4.899 -4.050 0.261 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 3 . 459 . 1 1 5 LEU HD13 H 4.613 -2.311 0.266 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 3 . 460 . 1 1 5 LEU HD21 H 7.676 -4.383 0.313 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 3 . 461 . 1 1 5 LEU HD22 H 6.458 -5.053 1.397 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 3 . 462 . 1 1 5 LEU HD23 H 7.884 -4.257 2.059 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 3 . 463 . 1 1 5 LEU HG H 6.449 -2.470 2.237 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 3 . 464 . 1 1 5 LEU N N 6.942 0.125 1.486 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 3 . 465 . 1 1 5 LEU O O 10.063 -0.619 0.104 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 3 . 466 . 1 1 6 ILE C C 10.460 1.917 -1.081 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 3 . 467 . 1 1 6 ILE CA C 9.279 1.248 -1.776 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 3 . 468 . 1 1 6 ILE CB C 8.469 2.295 -2.552 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 3 . 469 . 1 1 6 ILE CD1 C 7.227 0.349 -3.518 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 3 . 470 . 1 1 6 ILE CG1 C 7.084 1.738 -2.907 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 3 . 471 . 1 1 6 ILE CG2 C 9.203 2.674 -3.839 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 3 . 472 . 1 1 6 ILE H H 7.456 0.825 -0.793 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 3 . 473 . 1 1 6 ILE HA H 9.646 0.502 -2.464 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 3 . 474 . 1 1 6 ILE HB H 8.349 3.174 -1.937 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 3 . 475 . 1 1 6 ILE HD11 H 7.908 0.398 -4.354 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 3 . 476 . 1 1 6 ILE HD12 H 6.262 0.007 -3.854 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 3 . 477 . 1 1 6 ILE HD13 H 7.613 -0.329 -2.775 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 3 . 478 . 1 1 6 ILE HG12 H 6.475 1.680 -2.020 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 3 . 479 . 1 1 6 ILE HG13 H 6.613 2.390 -3.625 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 3 . 480 . 1 1 6 ILE HG21 H 8.569 3.307 -4.443 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 3 . 481 . 1 1 6 ILE HG22 H 9.450 1.781 -4.393 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 3 . 482 . 1 1 6 ILE HG23 H 10.109 3.206 -3.592 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 3 . 483 . 1 1 6 ILE N N 8.412 0.606 -0.802 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 3 . 484 . 1 1 6 ILE O O 11.619 1.682 -1.423 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 3 . 485 . 1 1 7 VAL C C 11.847 2.489 1.661 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 3 . 486 . 1 1 7 VAL CA C 11.196 3.437 0.650 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 3 . 487 . 1 1 7 VAL CB C 10.606 4.656 1.373 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 3 . 488 . 1 1 7 VAL CG1 C 10.175 5.706 0.349 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 3 . 489 . 1 1 7 VAL CG2 C 9.387 4.242 2.200 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 3 . 490 . 1 1 7 VAL H H 9.214 2.885 0.129 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 3 . 491 . 1 1 7 VAL HA H 11.955 3.777 -0.042 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 3 . 492 . 1 1 7 VAL HB H 11.357 5.084 2.027 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 3 . 493 . 1 1 7 VAL HG11 H 9.330 5.338 -0.211 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 3 . 494 . 1 1 7 VAL HG12 H 10.995 5.909 -0.326 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 3 . 495 . 1 1 7 VAL HG13 H 9.898 6.617 0.861 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 3 . 496 . 1 1 7 VAL HG21 H 9.688 3.527 2.952 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 3 . 497 . 1 1 7 VAL HG22 H 8.647 3.797 1.556 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 3 . 498 . 1 1 7 VAL HG23 H 8.967 5.113 2.682 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 3 . 499 . 1 1 7 VAL N N 10.155 2.745 -0.100 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 3 . 500 . 1 1 7 VAL O O 13.054 2.542 1.892 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 3 . 501 . 1 1 8 HIS C C 12.453 -0.349 2.724 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 3 . 502 . 1 1 8 HIS CA C 11.503 0.705 3.297 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 3 . 503 . 1 1 8 HIS CB C 10.301 0.007 3.935 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 3 . 504 . 1 1 8 HIS CD2 C 11.398 -0.841 6.163 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 3 . 505 . 1 1 8 HIS CE1 C 11.019 -2.962 5.912 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 3 . 506 . 1 1 8 HIS CG C 10.759 -0.992 4.959 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 3 . 507 . 1 1 8 HIS H H 10.066 1.672 2.068 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 3 . 508 . 1 1 8 HIS HA H 12.019 1.263 4.062 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 3 . 509 . 1 1 8 HIS HB2 H 9.672 0.747 4.412 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 510 . 1 1 8 HIS HB3 H 9.735 -0.502 3.169 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 511 . 1 1 8 HIS HD2 H 11.728 0.103 6.581 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 3 . 512 . 1 1 8 HIS HE1 H 10.978 -4.029 6.080 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 3 . 513 . 1 1 8 HIS HE2 H 11.955 -2.276 7.647 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 3 . 514 . 1 1 8 HIS N N 11.026 1.646 2.281 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 3 . 515 . 1 1 8 HIS ND1 N 10.528 -2.353 4.816 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 3 . 516 . 1 1 8 HIS NE2 N 11.557 -2.087 6.767 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 3 . 517 . 1 1 8 HIS O O 13.425 -0.734 3.383 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 3 . 518 . 1 1 9 GLN C C 14.470 -1.469 0.904 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 3 . 519 . 1 1 9 GLN CA C 13.001 -1.881 0.918 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 3 . 520 . 1 1 9 GLN CB C 12.523 -2.186 -0.507 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 3 . 521 . 1 1 9 GLN CD C 13.524 -1.202 -2.581 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 3 . 522 . 1 1 9 GLN CG C 12.623 -0.934 -1.383 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 3 . 523 . 1 1 9 GLN H H 11.363 -0.524 1.046 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 3 . 524 . 1 1 9 GLN HA H 12.907 -2.780 1.508 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 3 . 525 . 1 1 9 GLN HB2 H 13.134 -2.970 -0.926 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 526 . 1 1 9 GLN HB3 H 11.494 -2.512 -0.472 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 527 . 1 1 9 GLN HE21 H 12.024 -1.334 -3.871 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 3 . 528 . 1 1 9 GLN HE22 H 13.572 -1.558 -4.527 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 3 . 529 . 1 1 9 GLN HG2 H 11.635 -0.664 -1.732 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 3 . 530 . 1 1 9 GLN HG3 H 13.033 -0.120 -0.807 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 3 . 531 . 1 1 9 GLN N N 12.163 -0.842 1.523 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 3 . 532 . 1 1 9 GLN NE2 N 12.997 -1.378 -3.756 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 3 . 533 . 1 1 9 GLN O O 15.363 -2.318 0.988 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 3 . 534 . 1 1 9 GLN OE1 O 14.746 -1.259 -2.439 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 3 . 535 . 1 1 10 ARG C C 16.707 0.226 2.180 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 3 . 536 . 1 1 10 ARG CA C 16.078 0.330 0.794 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 3 . 537 . 1 1 10 ARG CB C 16.095 1.774 0.323 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 3 . 538 . 1 1 10 ARG CD C 17.465 2.029 -1.761 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 3 . 539 . 1 1 10 ARG CG C 16.057 1.786 -1.206 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 3 . 540 . 1 1 10 ARG CZ C 17.976 4.404 -1.491 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 3 . 541 . 1 1 10 ARG H H 13.976 0.464 0.749 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 3 . 542 . 1 1 10 ARG HA H 16.654 -0.257 0.098 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 3 . 543 . 1 1 10 ARG HB2 H 15.231 2.295 0.714 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 3 . 544 . 1 1 10 ARG HB3 H 16.994 2.257 0.667 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 3 . 545 . 1 1 10 ARG HD2 H 18.195 1.868 -0.982 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 3 . 546 . 1 1 10 ARG HD3 H 17.655 1.334 -2.562 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 3 . 547 . 1 1 10 ARG HE H 17.359 3.570 -3.215 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 3 . 548 . 1 1 10 ARG HG2 H 15.687 0.836 -1.569 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 3 . 549 . 1 1 10 ARG HG3 H 15.400 2.564 -1.536 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 3 . 550 . 1 1 10 ARG HH11 H 17.805 5.786 -2.930 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 3 . 551 . 1 1 10 ARG HH12 H 18.322 6.374 -1.386 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 3 . 552 . 1 1 10 ARG HH21 H 18.342 3.252 0.108 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 3 . 553 . 1 1 10 ARG HH22 H 18.631 4.946 0.323 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 3 . 554 . 1 1 10 ARG N N 14.718 -0.169 0.809 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 3 . 555 . 1 1 10 ARG NE N 17.583 3.393 -2.270 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 3 . 556 . 1 1 10 ARG NH1 N 18.040 5.612 -1.973 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 3 . 557 . 1 1 10 ARG NH2 N 18.345 4.181 -0.260 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 3 . 558 . 1 1 10 ARG O O 17.841 0.658 2.385 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 3 . 559 . 1 1 11 NH2 HN1 H 15.134 -0.674 2.991 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 3 . 560 . 1 1 11 NH2 HN2 H 16.444 -0.410 4.039 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 3 . 561 . 1 1 11 NH2 N N 16.040 -0.330 3.149 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 4 . 562 . 1 1 1 SER C C 2.163 0.072 2.286 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 4 . 563 . 1 1 1 SER CA C 1.250 0.534 3.419 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 4 . 564 . 1 1 1 SER CB C -0.187 0.060 3.162 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 4 . 565 . 1 1 1 SER H1 H 2.039 2.381 2.910 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 4 . 566 . 1 1 1 SER H2 H 1.373 2.321 4.467 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 4 . 567 . 1 1 1 SER H3 H 0.355 2.376 3.099 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 4 . 568 . 1 1 1 SER HA H 1.605 0.131 4.355 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 4 . 569 . 1 1 1 SER HB2 H -0.176 -0.868 2.613 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 570 . 1 1 1 SER HB3 H -0.693 -0.089 4.106 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 571 . 1 1 1 SER HG H -1.814 0.971 2.567 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 4 . 572 . 1 1 1 SER N N 1.253 2.014 3.478 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 4 . 573 . 1 1 1 SER O O 3.323 -0.288 2.503 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 4 . 574 . 1 1 1 SER OG O -0.864 1.053 2.394 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 4 . 575 . 1 1 2 ARG C C 3.644 0.456 -0.287 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 4 . 576 . 1 1 2 ARG CA C 2.371 -0.362 -0.102 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 4 . 577 . 1 1 2 ARG CB C 1.491 -0.226 -1.351 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 4 . 578 . 1 1 2 ARG CD C 1.601 -0.421 -3.832 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 4 . 579 . 1 1 2 ARG CG C 2.120 -0.991 -2.518 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 4 . 580 . 1 1 2 ARG CZ C 3.086 1.421 -4.221 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 4 . 581 . 1 1 2 ARG H H 0.693 0.367 0.970 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 4 . 582 . 1 1 2 ARG HA H 2.639 -1.399 0.021 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 4 . 583 . 1 1 2 ARG HB2 H 0.514 -0.634 -1.144 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 584 . 1 1 2 ARG HB3 H 1.396 0.818 -1.616 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 585 . 1 1 2 ARG HD2 H 2.081 -0.913 -4.662 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 4 . 586 . 1 1 2 ARG HD3 H 0.535 -0.570 -3.894 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 4 . 587 . 1 1 2 ARG HE H 1.229 1.619 -3.505 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 4 . 588 . 1 1 2 ARG HG2 H 3.196 -0.897 -2.479 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 4 . 589 . 1 1 2 ARG HG3 H 1.851 -2.015 -2.453 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 4 . 590 . 1 1 2 ARG HH11 H 2.741 3.220 -3.493 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 4 . 591 . 1 1 2 ARG HH12 H 4.285 3.015 -4.247 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 4 . 592 . 1 1 2 ARG HH21 H 3.660 -0.310 -5.049 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 4 . 593 . 1 1 2 ARG HH22 H 4.825 0.970 -5.120 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 4 . 594 . 1 1 2 ARG N N 1.624 0.076 1.074 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 4 . 595 . 1 1 2 ARG NE N 1.894 0.989 -3.859 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 4 . 596 . 1 1 2 ARG NH1 N 3.398 2.645 -3.967 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 4 . 597 . 1 1 2 ARG NH2 N 3.921 0.633 -4.841 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 4 . 598 . 1 1 2 ARG O O 4.706 -0.091 -0.573 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 4 . 599 . 1 1 3 PHE C C 5.811 2.296 0.612 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 4 . 600 . 1 1 3 PHE CA C 4.666 2.647 -0.330 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 4 . 601 . 1 1 3 PHE CB C 4.251 4.099 -0.128 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 4 . 602 . 1 1 3 PHE CD1 C 3.015 5.006 -2.119 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 4 . 603 . 1 1 3 PHE CD2 C 5.441 4.968 -2.150 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 4 . 604 . 1 1 3 PHE CE1 C 3.015 5.533 -3.412 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 4 . 605 . 1 1 3 PHE CE2 C 5.437 5.504 -3.434 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 4 . 606 . 1 1 3 PHE CG C 4.231 4.727 -1.489 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 4 . 607 . 1 1 3 PHE CZ C 4.225 5.779 -4.065 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 4 . 608 . 1 1 3 PHE H H 2.648 2.146 0.067 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 4 . 609 . 1 1 3 PHE HA H 5.013 2.545 -1.355 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 4 . 610 . 1 1 3 PHE HB2 H 3.269 4.144 0.322 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 611 . 1 1 3 PHE HB3 H 4.969 4.606 0.498 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 612 . 1 1 3 PHE HD1 H 2.079 4.820 -1.608 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 4 . 613 . 1 1 3 PHE HD2 H 6.380 4.752 -1.661 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 4 . 614 . 1 1 3 PHE HE1 H 2.081 5.755 -3.902 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 4 . 615 . 1 1 3 PHE HE2 H 6.370 5.694 -3.945 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 4 . 616 . 1 1 3 PHE HZ H 4.223 6.177 -5.057 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 4 . 617 . 1 1 3 PHE N N 3.524 1.765 -0.147 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 4 . 618 . 1 1 3 PHE O O 6.979 2.327 0.218 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 4 . 619 . 1 1 4 GLU C C 7.345 0.464 2.320 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 4 . 620 . 1 1 4 GLU CA C 6.499 1.626 2.821 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 4 . 621 . 1 1 4 GLU CB C 5.830 1.260 4.143 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 4 . 622 . 1 1 4 GLU CD C 3.776 2.670 4.395 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 4 . 623 . 1 1 4 GLU CG C 5.239 2.522 4.784 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 4 . 624 . 1 1 4 GLU H H 4.541 1.956 2.124 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 4 . 625 . 1 1 4 GLU HA H 7.137 2.485 2.980 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 4 . 626 . 1 1 4 GLU HB2 H 5.043 0.543 3.962 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 627 . 1 1 4 GLU HB3 H 6.561 0.830 4.805 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 628 . 1 1 4 GLU HG2 H 5.320 2.446 5.858 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 4 . 629 . 1 1 4 GLU HG3 H 5.789 3.390 4.445 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 4 . 630 . 1 1 4 GLU N N 5.483 1.965 1.850 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 4 . 631 . 1 1 4 GLU O O 8.567 0.463 2.481 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 4 . 632 . 1 1 4 GLU OE1 O 3.511 2.883 3.225 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 4 . 633 . 1 1 4 GLU OE2 O 2.936 2.561 5.269 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 4 . 634 . 1 1 5 LEU C C 8.454 -1.156 0.143 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 4 . 635 . 1 1 5 LEU CA C 7.429 -1.647 1.156 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 4 . 636 . 1 1 5 LEU CB C 6.452 -2.609 0.490 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 4 . 637 . 1 1 5 LEU CD1 C 4.221 -3.364 1.342 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 4 . 638 . 1 1 5 LEU CD2 C 6.189 -4.890 1.478 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 4 . 639 . 1 1 5 LEU CG C 5.732 -3.433 1.563 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 4 . 640 . 1 1 5 LEU H H 5.738 -0.465 1.557 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 4 . 641 . 1 1 5 LEU HA H 7.939 -2.154 1.960 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 4 . 642 . 1 1 5 LEU HB2 H 5.732 -2.047 -0.088 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 643 . 1 1 5 LEU HB3 H 6.991 -3.264 -0.157 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 644 . 1 1 5 LEU HD11 H 3.732 -4.114 1.947 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 4 . 645 . 1 1 5 LEU HD12 H 4.002 -3.545 0.300 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 4 . 646 . 1 1 5 LEU HD13 H 3.863 -2.385 1.622 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 4 . 647 . 1 1 5 LEU HD21 H 5.958 -5.283 0.500 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 4 . 648 . 1 1 5 LEU HD22 H 5.677 -5.471 2.232 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 4 . 649 . 1 1 5 LEU HD23 H 7.255 -4.945 1.646 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 4 . 650 . 1 1 5 LEU HG H 5.970 -3.039 2.540 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 4 . 651 . 1 1 5 LEU N N 6.705 -0.514 1.687 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 4 . 652 . 1 1 5 LEU O O 9.542 -1.717 0.010 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 4 . 653 . 1 1 6 ILE C C 10.101 1.232 -0.838 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 4 . 654 . 1 1 6 ILE CA C 8.969 0.506 -1.542 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 4 . 655 . 1 1 6 ILE CB C 8.183 1.501 -2.410 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 4 . 656 . 1 1 6 ILE CD1 C 6.913 -0.480 -3.272 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 4 . 657 . 1 1 6 ILE CG1 C 6.789 0.937 -2.714 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 4 . 658 . 1 1 6 ILE CG2 C 8.921 1.748 -3.728 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 4 . 659 . 1 1 6 ILE H H 7.221 0.314 -0.394 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 4 . 660 . 1 1 6 ILE HA H 9.373 -0.269 -2.166 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 4 . 661 . 1 1 6 ILE HB H 8.085 2.434 -1.874 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 4 . 662 . 1 1 6 ILE HD11 H 7.507 -0.460 -4.171 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 4 . 663 . 1 1 6 ILE HD12 H 5.931 -0.863 -3.497 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 4 . 664 . 1 1 6 ILE HD13 H 7.391 -1.113 -2.539 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 4 . 665 . 1 1 6 ILE HG12 H 6.206 0.919 -1.807 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 4 . 666 . 1 1 6 ILE HG13 H 6.299 1.568 -3.444 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 4 . 667 . 1 1 6 ILE HG21 H 9.982 1.831 -3.542 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 4 . 668 . 1 1 6 ILE HG22 H 8.563 2.663 -4.174 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 4 . 669 . 1 1 6 ILE HG23 H 8.738 0.926 -4.404 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 4 . 670 . 1 1 6 ILE N N 8.093 -0.088 -0.554 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 4 . 671 . 1 1 6 ILE O O 11.275 0.996 -1.112 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 4 . 672 . 1 1 7 VAL C C 11.633 1.893 1.608 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 4 . 673 . 1 1 7 VAL CA C 10.731 2.853 0.837 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 4 . 674 . 1 1 7 VAL CB C 10.045 3.820 1.811 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 4 . 675 . 1 1 7 VAL CG1 C 11.036 4.900 2.241 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 4 . 676 . 1 1 7 VAL CG2 C 8.845 4.489 1.129 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 4 . 677 . 1 1 7 VAL H H 8.781 2.236 0.271 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 4 . 678 . 1 1 7 VAL HA H 11.337 3.418 0.148 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 4 . 679 . 1 1 7 VAL HB H 9.708 3.274 2.684 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 4 . 680 . 1 1 7 VAL HG11 H 10.510 5.674 2.779 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 4 . 681 . 1 1 7 VAL HG12 H 11.506 5.326 1.366 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 4 . 682 . 1 1 7 VAL HG13 H 11.789 4.465 2.880 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 4 . 683 . 1 1 7 VAL HG21 H 8.984 4.477 0.058 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 4 . 684 . 1 1 7 VAL HG22 H 8.761 5.511 1.468 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 4 . 685 . 1 1 7 VAL HG23 H 7.944 3.952 1.382 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 4 . 686 . 1 1 7 VAL N N 9.737 2.103 0.087 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 4 . 687 . 1 1 7 VAL O O 12.854 2.067 1.651 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 4 . 688 . 1 1 8 HIS C C 12.900 -0.708 2.153 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 4 . 689 . 1 1 8 HIS CA C 11.779 -0.093 2.991 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 4 . 690 . 1 1 8 HIS CB C 10.850 -1.199 3.501 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 4 . 691 . 1 1 8 HIS CD2 C 12.742 -1.851 5.225 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 4 . 692 . 1 1 8 HIS CE1 C 11.933 -3.758 5.869 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 4 . 693 . 1 1 8 HIS CG C 11.570 -2.042 4.528 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 4 . 694 . 1 1 8 HIS H H 10.045 0.797 2.154 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 4 . 695 . 1 1 8 HIS HA H 12.216 0.407 3.843 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 4 . 696 . 1 1 8 HIS HB2 H 9.974 -0.751 3.953 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 697 . 1 1 8 HIS HB3 H 10.545 -1.824 2.674 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 698 . 1 1 8 HIS HD2 H 13.390 -0.990 5.135 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 4 . 699 . 1 1 8 HIS HE1 H 11.800 -4.702 6.378 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 4 . 700 . 1 1 8 HIS HE2 H 13.726 -3.071 6.680 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 4 . 701 . 1 1 8 HIS N N 11.024 0.883 2.219 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 4 . 702 . 1 1 8 HIS ND1 N 11.073 -3.262 4.956 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 4 . 703 . 1 1 8 HIS NE2 N 12.967 -2.936 6.069 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 4 . 704 . 1 1 8 HIS O O 13.839 -1.288 2.699 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 4 . 705 . 1 1 9 GLN C C 15.200 -0.473 0.276 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 4 . 706 . 1 1 9 GLN CA C 13.860 -1.139 -0.022 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 4 . 707 . 1 1 9 GLN CB C 13.493 -0.969 -1.507 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 4 . 708 . 1 1 9 GLN CD C 15.054 0.391 -2.928 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 4 . 709 . 1 1 9 GLN CG C 13.845 0.445 -1.999 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 4 . 710 . 1 1 9 GLN H H 12.061 -0.107 0.427 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 4 . 711 . 1 1 9 GLN HA H 13.946 -2.194 0.191 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 4 . 712 . 1 1 9 GLN HB2 H 14.037 -1.695 -2.093 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 713 . 1 1 9 GLN HB3 H 12.433 -1.136 -1.632 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 714 . 1 1 9 GLN HE21 H 14.272 1.646 -4.251 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 4 . 715 . 1 1 9 GLN HE22 H 15.825 1.069 -4.624 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 4 . 716 . 1 1 9 GLN HG2 H 12.999 0.853 -2.537 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 4 . 717 . 1 1 9 GLN HG3 H 14.068 1.081 -1.155 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 4 . 718 . 1 1 9 GLN N N 12.820 -0.581 0.831 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 4 . 719 . 1 1 9 GLN NE2 N 15.050 1.091 -4.025 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 4 . 720 . 1 1 9 GLN O O 16.254 -0.995 -0.085 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 4 . 721 . 1 1 9 GLN OE1 O 16.024 -0.317 -2.654 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 4 . 722 . 1 1 10 ARG C C 17.195 1.687 0.045 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 4 . 723 . 1 1 10 ARG CA C 16.358 1.412 1.289 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 4 . 724 . 1 1 10 ARG CB C 17.186 0.629 2.314 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 4 . 725 . 1 1 10 ARG CD C 16.128 0.469 4.612 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 4 . 726 . 1 1 10 ARG CG C 17.032 1.295 3.684 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 4 . 727 . 1 1 10 ARG CZ C 16.332 -1.957 4.293 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 4 . 728 . 1 1 10 ARG H H 14.283 1.043 1.215 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 4 . 729 . 1 1 10 ARG HA H 16.069 2.356 1.726 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 4 . 730 . 1 1 10 ARG HB2 H 16.846 -0.391 2.350 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 4 . 731 . 1 1 10 ARG HB3 H 18.226 0.647 2.025 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 4 . 732 . 1 1 10 ARG HD2 H 16.647 0.274 5.535 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 4 . 733 . 1 1 10 ARG HD3 H 15.243 1.051 4.825 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 4 . 734 . 1 1 10 ARG HE H 14.981 -0.807 3.357 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 4 . 735 . 1 1 10 ARG HG2 H 18.010 1.410 4.138 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 4 . 736 . 1 1 10 ARG HG3 H 16.587 2.272 3.543 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 4 . 737 . 1 1 10 ARG HH11 H 15.137 -3.048 3.113 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 4 . 738 . 1 1 10 ARG HH12 H 16.360 -3.933 3.967 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 4 . 739 . 1 1 10 ARG HH21 H 17.653 -1.147 5.561 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 4 . 740 . 1 1 10 ARG HH22 H 17.781 -2.859 5.341 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 4 . 741 . 1 1 10 ARG N N 15.151 0.679 0.944 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 4 . 742 . 1 1 10 ARG NE N 15.731 -0.802 3.998 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 4 . 743 . 1 1 10 ARG NH1 N 15.909 -3.063 3.748 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 4 . 744 . 1 1 10 ARG NH2 N 17.331 -1.987 5.131 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 4 . 745 . 1 1 10 ARG O O 17.100 2.762 -0.550 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 4 . 746 . 1 1 11 NH2 HN1 H 18.091 -0.077 0.084 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 4 . 747 . 1 1 11 NH2 HN2 H 18.563 0.949 -1.182 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 4 . 748 . 1 1 11 NH2 N N 18.016 0.779 -0.387 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 5 . 749 . 1 1 1 SER C C 1.890 0.252 2.208 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 5 . 750 . 1 1 1 SER CA C 1.008 0.768 3.336 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 5 . 751 . 1 1 1 SER CB C -0.324 0.020 3.349 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 5 . 752 . 1 1 1 SER H1 H 0.751 2.689 4.065 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 5 . 753 . 1 1 1 SER H2 H -0.161 2.344 2.674 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 5 . 754 . 1 1 1 SER H3 H 1.509 2.614 2.545 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 5 . 755 . 1 1 1 SER HA H 1.512 0.618 4.277 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 5 . 756 . 1 1 1 SER HB2 H -0.239 -0.885 2.767 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 757 . 1 1 1 SER HB3 H -0.573 -0.238 4.370 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 758 . 1 1 1 SER HG H -1.875 1.199 3.517 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 5 . 759 . 1 1 1 SER N N 0.754 2.212 3.138 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 5 . 760 . 1 1 1 SER O O 3.030 -0.161 2.430 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 5 . 761 . 1 1 1 SER OG O -1.343 0.850 2.789 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 5 . 762 . 1 1 2 ARG C C 3.378 0.543 -0.383 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 5 . 763 . 1 1 2 ARG CA C 2.069 -0.216 -0.171 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 5 . 764 . 1 1 2 ARG CB C 1.185 -0.062 -1.413 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 5 . 765 . 1 1 2 ARG CD C 1.157 -0.532 -3.850 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 5 . 766 . 1 1 2 ARG CG C 1.629 -1.044 -2.497 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 5 . 767 . 1 1 2 ARG CZ C 2.920 1.056 -4.230 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 5 . 768 . 1 1 2 ARG H H 0.426 0.595 0.888 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 5 . 769 . 1 1 2 ARG HA H 2.291 -1.262 -0.031 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 5 . 770 . 1 1 2 ARG HB2 H 0.156 -0.261 -1.149 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 771 . 1 1 2 ARG HB3 H 1.267 0.943 -1.790 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 772 . 1 1 2 ARG HD2 H 1.538 -1.163 -4.636 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 5 . 773 . 1 1 2 ARG HD3 H 0.076 -0.531 -3.881 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 5 . 774 . 1 1 2 ARG HE H 1.022 1.573 -3.881 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 5 . 775 . 1 1 2 ARG HG2 H 2.708 -1.129 -2.492 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 5 . 776 . 1 1 2 ARG HG3 H 1.198 -1.994 -2.314 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 5 . 777 . 1 1 2 ARG HH11 H 2.690 2.979 -3.905 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 5 . 778 . 1 1 2 ARG HH12 H 4.299 2.488 -4.318 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 5 . 779 . 1 1 2 ARG HH21 H 3.396 -0.858 -4.569 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 5 . 780 . 1 1 2 ARG HH22 H 4.706 0.271 -4.680 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 5 . 781 . 1 1 2 ARG N N 1.345 0.267 0.998 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 5 . 782 . 1 1 2 ARG NE N 1.642 0.817 -4.017 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 5 . 783 . 1 1 2 ARG NH1 N 3.339 2.264 -4.142 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 5 . 784 . 1 1 2 ARG NH2 N 3.738 0.083 -4.512 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 5 . 785 . 1 1 2 ARG O O 4.425 -0.067 -0.601 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 5 . 786 . 1 1 3 PHE C C 5.604 2.385 0.455 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 5 . 787 . 1 1 3 PHE CA C 4.513 2.684 -0.567 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 5 . 788 . 1 1 3 PHE CB C 4.179 4.174 -0.537 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 5 . 789 . 1 1 3 PHE CD1 C 3.825 5.161 -2.818 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 5 . 790 . 1 1 3 PHE CD2 C 6.084 4.847 -2.009 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 5 . 791 . 1 1 3 PHE CE1 C 4.322 5.655 -4.019 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 5 . 792 . 1 1 3 PHE CE2 C 6.584 5.349 -3.210 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 5 . 793 . 1 1 3 PHE CG C 4.705 4.754 -1.816 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 5 . 794 . 1 1 3 PHE CZ C 5.701 5.754 -4.213 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 5 . 795 . 1 1 3 PHE H H 2.455 2.311 -0.181 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 5 . 796 . 1 1 3 PHE HA H 4.899 2.457 -1.558 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 5 . 797 . 1 1 3 PHE HB2 H 3.109 4.317 -0.473 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 798 . 1 1 3 PHE HB3 H 4.664 4.649 0.303 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 799 . 1 1 3 PHE HD1 H 2.759 5.087 -2.665 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 5 . 800 . 1 1 3 PHE HD2 H 6.758 4.532 -1.228 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 5 . 801 . 1 1 3 PHE HE1 H 3.639 5.970 -4.797 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 5 . 802 . 1 1 3 PHE HE2 H 7.648 5.427 -3.366 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 5 . 803 . 1 1 3 PHE HZ H 6.082 6.126 -5.140 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 5 . 804 . 1 1 3 PHE N N 3.315 1.872 -0.343 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 5 . 805 . 1 1 3 PHE O O 6.794 2.385 0.118 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 5 . 806 . 1 1 4 GLU C C 7.035 0.657 2.383 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 5 . 807 . 1 1 4 GLU CA C 6.169 1.855 2.750 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 5 . 808 . 1 1 4 GLU CB C 5.426 1.586 4.055 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 5 . 809 . 1 1 4 GLU CD C 3.304 2.909 4.071 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 5 . 810 . 1 1 4 GLU CG C 4.750 2.873 4.535 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 5 . 811 . 1 1 4 GLU H H 4.252 2.158 1.920 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 5 . 812 . 1 1 4 GLU HA H 6.807 2.719 2.880 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 5 . 813 . 1 1 4 GLU HB2 H 4.681 0.819 3.897 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 814 . 1 1 4 GLU HB3 H 6.126 1.254 4.796 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 815 . 1 1 4 GLU HG2 H 4.784 2.910 5.616 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 5 . 816 . 1 1 4 GLU HG3 H 5.275 3.727 4.132 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 5 . 817 . 1 1 4 GLU N N 5.207 2.137 1.697 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 5 . 818 . 1 1 4 GLU O O 8.244 0.665 2.619 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 5 . 819 . 1 1 4 GLU OE1 O 3.083 3.013 2.879 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 5 . 820 . 1 1 4 GLU OE2 O 2.432 2.828 4.915 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 5 . 821 . 1 1 5 LEU C C 8.252 -1.084 0.387 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 5 . 822 . 1 1 5 LEU CA C 7.176 -1.523 1.363 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 5 . 823 . 1 1 5 LEU CB C 6.234 -2.510 0.690 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 5 . 824 . 1 1 5 LEU CD1 C 3.892 -3.156 1.254 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 5 . 825 . 1 1 5 LEU CD2 C 5.784 -4.620 1.968 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 5 . 826 . 1 1 5 LEU CG C 5.339 -3.172 1.741 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 5 . 827 . 1 1 5 LEU H H 5.469 -0.319 1.585 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 5 . 828 . 1 1 5 LEU HA H 7.634 -1.989 2.224 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 5 . 829 . 1 1 5 LEU HB2 H 5.619 -1.984 -0.025 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 830 . 1 1 5 LEU HB3 H 6.807 -3.255 0.183 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 831 . 1 1 5 LEU HD11 H 3.875 -3.127 0.174 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 5 . 832 . 1 1 5 LEU HD12 H 3.396 -2.283 1.645 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 5 . 833 . 1 1 5 LEU HD13 H 3.384 -4.044 1.597 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 5 . 834 . 1 1 5 LEU HD21 H 5.876 -4.806 3.028 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 5 . 835 . 1 1 5 LEU HD22 H 6.739 -4.786 1.490 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 5 . 836 . 1 1 5 LEU HD23 H 5.051 -5.292 1.549 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 5 . 837 . 1 1 5 LEU HG H 5.411 -2.624 2.670 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 5 . 838 . 1 1 5 LEU N N 6.427 -0.360 1.779 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 5 . 839 . 1 1 5 LEU O O 9.398 -1.531 0.448 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 5 . 840 . 1 1 6 ILE C C 9.911 1.103 -0.775 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 5 . 841 . 1 1 6 ILE CA C 8.798 0.353 -1.483 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 5 . 842 . 1 1 6 ILE CB C 8.064 1.299 -2.442 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 5 . 843 . 1 1 6 ILE CD1 C 6.842 -0.742 -3.197 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 5 . 844 . 1 1 6 ILE CG1 C 6.687 0.717 -2.780 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 5 . 845 . 1 1 6 ILE CG2 C 8.876 1.456 -3.730 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 5 . 846 . 1 1 6 ILE H H 6.950 0.155 -0.488 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 5 . 847 . 1 1 6 ILE HA H 9.218 -0.464 -2.045 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 5 . 848 . 1 1 6 ILE HB H 7.944 2.268 -1.970 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 5 . 849 . 1 1 6 ILE HD11 H 7.729 -0.850 -3.801 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 5 . 850 . 1 1 6 ILE HD12 H 5.977 -1.049 -3.765 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 5 . 851 . 1 1 6 ILE HD13 H 6.930 -1.355 -2.313 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 5 . 852 . 1 1 6 ILE HG12 H 6.050 0.778 -1.913 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 5 . 853 . 1 1 6 ILE HG13 H 6.245 1.275 -3.591 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 5 . 854 . 1 1 6 ILE HG21 H 8.337 2.082 -4.425 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 5 . 855 . 1 1 6 ILE HG22 H 9.040 0.484 -4.174 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 5 . 856 . 1 1 6 ILE HG23 H 9.829 1.910 -3.502 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 5 . 857 . 1 1 6 ILE N N 7.872 -0.176 -0.503 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 5 . 858 . 1 1 6 ILE O O 11.091 0.878 -1.039 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 5 . 859 . 1 1 7 VAL C C 11.415 1.848 1.654 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 5 . 860 . 1 1 7 VAL CA C 10.484 2.779 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 5 . 861 . 1 1 7 VAL CB C 9.756 3.727 1.859 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 5 . 862 . 1 1 7 VAL CG1 C 10.753 4.708 2.483 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 5 . 863 . 1 1 7 VAL CG2 C 8.682 4.518 1.105 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 5 . 864 . 1 1 7 VAL H H 8.556 2.114 0.297 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 5 . 865 . 1 1 7 VAL HA H 11.067 3.364 0.194 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 5 . 866 . 1 1 7 VAL HB H 9.290 3.147 2.640 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 5 . 867 . 1 1 7 VAL HG11 H 10.679 5.666 1.985 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 5 . 868 . 1 1 7 VAL HG12 H 11.756 4.325 2.375 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 5 . 869 . 1 1 7 VAL HG13 H 10.526 4.836 3.530 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 5 . 870 . 1 1 7 VAL HG21 H 8.943 5.569 1.100 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 5 . 871 . 1 1 7 VAL HG22 H 7.731 4.389 1.597 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 5 . 872 . 1 1 7 VAL HG23 H 8.613 4.159 0.089 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 5 . 873 . 1 1 7 VAL N N 9.518 1.993 0.131 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 5 . 874 . 1 1 7 VAL O O 12.551 2.205 1.962 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 5 . 875 . 1 1 8 HIS C C 12.692 -1.045 1.751 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 5 . 876 . 1 1 8 HIS CA C 11.719 -0.319 2.686 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 5 . 877 . 1 1 8 HIS CB C 10.802 -1.344 3.359 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 5 . 878 . 1 1 8 HIS CD2 C 11.472 -3.696 4.326 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 5 . 879 . 1 1 8 HIS CE1 C 13.314 -3.119 5.309 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 5 . 880 . 1 1 8 HIS CG C 11.633 -2.350 4.111 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 5 . 881 . 1 1 8 HIS H H 10.012 0.424 1.694 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 5 . 882 . 1 1 8 HIS HA H 12.283 0.194 3.448 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 5 . 883 . 1 1 8 HIS HB2 H 10.138 -0.843 4.046 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 884 . 1 1 8 HIS HB3 H 10.217 -1.849 2.605 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 885 . 1 1 8 HIS HD2 H 10.645 -4.292 3.960 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 5 . 886 . 1 1 8 HIS HE1 H 14.229 -3.149 5.873 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 5 . 887 . 1 1 8 HIS HE2 H 12.685 -5.106 5.377 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 5 . 888 . 1 1 8 HIS N N 10.925 0.653 1.960 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 5 . 889 . 1 1 8 HIS ND1 N 12.815 -2.004 4.747 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 5 . 890 . 1 1 8 HIS NE2 N 12.534 -4.180 5.083 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 5 . 891 . 1 1 8 HIS O O 13.900 -1.074 1.996 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 5 . 892 . 1 1 9 GLN C C 13.692 -1.527 -1.253 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 5 . 893 . 1 1 9 GLN CA C 12.973 -2.421 -0.238 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 5 . 894 . 1 1 9 GLN CB C 12.104 -3.445 -0.978 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 5 . 895 . 1 1 9 GLN CD C 11.000 -3.046 -3.204 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 5 . 896 . 1 1 9 GLN CG C 10.946 -2.744 -1.706 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 5 . 897 . 1 1 9 GLN H H 11.184 -1.628 0.570 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 5 . 898 . 1 1 9 GLN HA H 13.712 -2.957 0.327 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 5 . 899 . 1 1 9 GLN HB2 H 12.711 -3.977 -1.698 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 900 . 1 1 9 GLN HB3 H 11.703 -4.147 -0.266 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 901 . 1 1 9 GLN HE21 H 12.962 -2.774 -3.340 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 5 . 902 . 1 1 9 GLN HE22 H 12.184 -3.202 -4.787 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 5 . 903 . 1 1 9 GLN HG2 H 10.007 -3.095 -1.305 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 5 . 904 . 1 1 9 GLN HG3 H 11.022 -1.678 -1.554 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 5 . 905 . 1 1 9 GLN N N 12.152 -1.662 0.699 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 5 . 906 . 1 1 9 GLN NE2 N 12.142 -3.003 -3.828 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 5 . 907 . 1 1 9 GLN O O 14.775 -1.881 -1.727 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 5 . 908 . 1 1 9 GLN OE1 O 9.973 -3.338 -3.817 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 5 . 909 . 1 1 10 ARG C C 13.905 -0.190 -3.907 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 5 . 910 . 1 1 10 ARG CA C 13.690 0.517 -2.569 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 5 . 911 . 1 1 10 ARG CB C 15.025 1.065 -2.047 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 5 . 912 . 1 1 10 ARG CD C 14.530 2.090 0.171 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 5 . 913 . 1 1 10 ARG CG C 14.769 2.375 -1.308 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 5 . 914 . 1 1 10 ARG CZ C 15.779 1.386 2.134 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 5 . 915 . 1 1 10 ARG H H 12.230 -0.156 -1.194 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 5 . 916 . 1 1 10 ARG HA H 13.010 1.342 -2.723 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 5 . 917 . 1 1 10 ARG HB2 H 15.469 0.349 -1.370 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 5 . 918 . 1 1 10 ARG HB3 H 15.694 1.245 -2.875 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 5 . 919 . 1 1 10 ARG HD2 H 14.216 2.999 0.663 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 5 . 920 . 1 1 10 ARG HD3 H 13.751 1.350 0.266 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 5 . 921 . 1 1 10 ARG HE H 16.541 1.402 0.272 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 5 . 922 . 1 1 10 ARG HG2 H 15.618 3.033 -1.423 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 5 . 923 . 1 1 10 ARG HG3 H 13.888 2.844 -1.721 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 5 . 924 . 1 1 10 ARG HH11 H 17.689 0.784 2.137 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 5 . 925 . 1 1 10 ARG HH12 H 16.902 0.798 3.681 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 5 . 926 . 1 1 10 ARG HH21 H 13.862 1.931 2.433 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 5 . 927 . 1 1 10 ARG HH22 H 14.740 1.450 3.855 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 5 . 928 . 1 1 10 ARG N N 13.096 -0.391 -1.595 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 5 . 929 . 1 1 10 ARG NE N 15.742 1.591 0.817 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 5 . 930 . 1 1 10 ARG NH1 N 16.875 0.958 2.695 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 5 . 931 . 1 1 10 ARG NH2 N 14.713 1.607 2.864 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 5 . 932 . 1 1 10 ARG O O 13.203 0.090 -4.881 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 5 . 933 . 1 1 11 NH2 HN1 H 15.399 -1.305 -3.238 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 5 . 934 . 1 1 11 NH2 HN2 H 14.995 -1.529 -4.874 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 5 . 935 . 1 1 11 NH2 N N 14.841 -1.083 -4.017 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 6 . 936 . 1 1 1 SER C C 2.170 -0.059 2.455 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 6 . 937 . 1 1 1 SER CA C 1.322 0.556 3.568 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 6 . 938 . 1 1 1 SER CB C 1.892 0.197 4.940 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 6 . 939 . 1 1 1 SER H1 H -0.562 0.234 4.361 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 6 . 940 . 1 1 1 SER H2 H -0.040 -0.985 3.309 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 6 . 941 . 1 1 1 SER H3 H -0.561 0.515 2.699 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 6 . 942 . 1 1 1 SER HA H 1.309 1.628 3.455 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 6 . 943 . 1 1 1 SER HB2 H 2.742 -0.453 4.828 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 944 . 1 1 1 SER HB3 H 2.200 1.102 5.439 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 945 . 1 1 1 SER HG H 1.145 -0.394 6.642 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 6 . 946 . 1 1 1 SER N N -0.064 0.041 3.476 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 6 . 947 . 1 1 1 SER O O 3.251 -0.606 2.696 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 6 . 948 . 1 1 1 SER OG O 0.895 -0.472 5.710 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 6 . 949 . 1 1 2 ARG C C 3.629 0.313 -0.224 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 6 . 950 . 1 1 2 ARG CA C 2.390 -0.525 0.095 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 6 . 951 . 1 1 2 ARG CB C 1.461 -0.579 -1.115 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 6 . 952 . 1 1 2 ARG CD C 1.510 -1.115 -3.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 6 . 953 . 1 1 2 ARG CG C 2.042 -1.520 -2.172 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 6 . 954 . 1 1 2 ARG CZ C 2.906 0.780 -4.043 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 6 . 955 . 1 1 2 ARG H H 0.809 0.459 1.087 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 6 . 956 . 1 1 2 ARG HA H 2.702 -1.530 0.334 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 6 . 957 . 1 1 2 ARG HB2 H 0.490 -0.945 -0.805 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 958 . 1 1 2 ARG HB3 H 1.353 0.407 -1.532 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 959 . 1 1 2 ARG HD2 H 2.031 -1.658 -4.310 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 6 . 960 . 1 1 2 ARG HD3 H 0.455 -1.332 -3.582 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 6 . 961 . 1 1 2 ARG HE H 1.004 0.920 -3.441 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 6 . 962 . 1 1 2 ARG HG2 H 3.121 -1.459 -2.169 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 6 . 963 . 1 1 2 ARG HG3 H 1.739 -2.517 -1.962 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 6 . 964 . 1 1 2 ARG HH11 H 2.383 2.613 -3.554 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 6 . 965 . 1 1 2 ARG HH12 H 3.988 2.450 -4.187 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 6 . 966 . 1 1 2 ARG HH21 H 3.669 -0.984 -4.617 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 6 . 967 . 1 1 2 ARG HH22 H 4.723 0.378 -4.799 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 6 . 968 . 1 1 2 ARG N N 1.675 0.024 1.232 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 6 . 969 . 1 1 2 ARG NE N 1.724 0.299 -3.692 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 6 . 970 . 1 1 2 ARG NH1 N 3.113 2.043 -3.914 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 6 . 971 . 1 1 2 ARG NH2 N 3.840 -0.004 -4.513 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 6 . 972 . 1 1 2 ARG O O 4.700 -0.225 -0.493 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 6 . 973 . 1 1 3 PHE C C 5.756 2.271 0.480 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 6 . 974 . 1 1 3 PHE CA C 4.602 2.521 -0.483 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 6 . 975 . 1 1 3 PHE CB C 4.175 3.983 -0.388 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 6 . 976 . 1 1 3 PHE CD1 C 6.027 4.865 -1.810 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 6 . 977 . 1 1 3 PHE CD2 C 3.760 5.037 -2.647 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 6 . 978 . 1 1 3 PHE CE1 C 6.507 5.439 -2.980 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 6 . 979 . 1 1 3 PHE CE2 C 4.246 5.622 -3.820 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 6 . 980 . 1 1 3 PHE CG C 4.657 4.660 -1.640 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 6 . 981 . 1 1 3 PHE CZ C 5.618 5.819 -3.982 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 6 . 982 . 1 1 3 PHE H H 2.605 2.021 0.029 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 6 . 983 . 1 1 3 PHE HA H 4.951 2.340 -1.498 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 6 . 984 . 1 1 3 PHE HB2 H 3.102 4.050 -0.311 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 985 . 1 1 3 PHE HB3 H 4.636 4.446 0.476 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 986 . 1 1 3 PHE HD1 H 6.714 4.575 -1.031 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 6 . 987 . 1 1 3 PHE HD2 H 2.698 4.887 -2.517 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 6 . 988 . 1 1 3 PHE HE1 H 7.568 5.597 -3.109 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 6 . 989 . 1 1 3 PHE HE2 H 3.564 5.921 -4.601 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 6 . 990 . 1 1 3 PHE HZ H 5.993 6.251 -4.885 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 6 . 991 . 1 1 3 PHE N N 3.480 1.636 -0.192 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 6 . 992 . 1 1 3 PHE O O 6.923 2.412 0.110 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 6 . 993 . 1 1 4 GLU C C 7.398 0.572 2.227 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 6 . 994 . 1 1 4 GLU CA C 6.442 1.646 2.711 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 6 . 995 . 1 1 4 GLU CB C 5.776 1.199 4.016 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 6 . 996 . 1 1 4 GLU CD C 4.057 3.039 3.960 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 6 . 997 . 1 1 4 GLU CG C 5.199 2.413 4.755 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 6 . 998 . 1 1 4 GLU H H 4.482 1.807 1.957 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 6 . 999 . 1 1 4 GLU HA H 6.997 2.555 2.889 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 6 . 1000 . 1 1 4 GLU HB2 H 4.983 0.502 3.793 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 1001 . 1 1 4 GLU HB3 H 6.506 0.716 4.639 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 1002 . 1 1 4 GLU HG2 H 4.830 2.099 5.720 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 6 . 1003 . 1 1 4 GLU HG3 H 5.978 3.148 4.896 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 6 . 1004 . 1 1 4 GLU N N 5.429 1.901 1.710 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 6 . 1005 . 1 1 4 GLU O O 8.606 0.673 2.429 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 6 . 1006 . 1 1 4 GLU OE1 O 3.784 4.203 4.176 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 6 . 1007 . 1 1 4 GLU OE2 O 3.456 2.347 3.161 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 6 . 1008 . 1 1 5 LEU C C 8.680 -0.888 0.053 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 6 . 1009 . 1 1 5 LEU CA C 7.687 -1.497 1.029 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 6 . 1010 . 1 1 5 LEU CB C 6.804 -2.516 0.327 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 6 . 1011 . 1 1 5 LEU CD1 C 4.558 -3.347 1.043 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 6 . 1012 . 1 1 5 LEU CD2 C 6.571 -4.790 1.364 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 6 . 1013 . 1 1 5 LEU CG C 6.049 -3.349 1.373 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 6 . 1014 . 1 1 5 LEU H H 5.901 -0.464 1.400 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 6 . 1015 . 1 1 5 LEU HA H 8.223 -1.975 1.833 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 6 . 1016 . 1 1 5 LEU HB2 H 6.098 -1.998 -0.307 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 1017 . 1 1 5 LEU HB3 H 7.414 -3.154 -0.270 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 1018 . 1 1 5 LEU HD11 H 4.109 -4.262 1.400 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 6 . 1019 . 1 1 5 LEU HD12 H 4.426 -3.277 -0.028 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 6 . 1020 . 1 1 5 LEU HD13 H 4.086 -2.505 1.522 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 6 . 1021 . 1 1 5 LEU HD21 H 7.635 -4.785 1.184 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 6 . 1022 . 1 1 5 LEU HD22 H 6.075 -5.348 0.582 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 6 . 1023 . 1 1 5 LEU HD23 H 6.373 -5.252 2.320 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 6 . 1024 . 1 1 5 LEU HG H 6.196 -2.919 2.355 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 6 . 1025 . 1 1 5 LEU N N 6.862 -0.439 1.559 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 6 . 1026 . 1 1 5 LEU O O 9.866 -1.215 0.061 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 6 . 1027 . 1 1 6 ILE C C 10.041 1.546 -0.992 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 6 . 1028 . 1 1 6 ILE CA C 8.995 0.732 -1.732 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 6 . 1029 . 1 1 6 ILE CB C 8.125 1.662 -2.582 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 6 . 1030 . 1 1 6 ILE CD1 C 7.041 -0.408 -3.479 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 6 . 1031 . 1 1 6 ILE CG1 C 6.790 0.980 -2.891 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 6 . 1032 . 1 1 6 ILE CG2 C 8.842 1.975 -3.897 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 6 . 1033 . 1 1 6 ILE H H 7.225 0.258 -0.696 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 6 . 1034 . 1 1 6 ILE HA H 9.482 0.015 -2.369 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 6 . 1035 . 1 1 6 ILE HB H 7.946 2.581 -2.037 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 6 . 1036 . 1 1 6 ILE HD11 H 7.752 -0.942 -2.867 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 6 . 1037 . 1 1 6 ILE HD12 H 7.432 -0.309 -4.480 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 6 . 1038 . 1 1 6 ILE HD13 H 6.113 -0.958 -3.507 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 6 . 1039 . 1 1 6 ILE HG12 H 6.217 0.887 -1.983 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 6 . 1040 . 1 1 6 ILE HG13 H 6.240 1.577 -3.603 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 6 . 1041 . 1 1 6 ILE HG21 H 9.837 2.340 -3.685 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 6 . 1042 . 1 1 6 ILE HG22 H 8.291 2.727 -4.436 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 6 . 1043 . 1 1 6 ILE HG23 H 8.909 1.076 -4.493 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 6 . 1044 . 1 1 6 ILE N N 8.173 0.030 -0.764 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 6 . 1045 . 1 1 6 ILE O O 11.205 1.592 -1.381 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 6 . 1046 . 1 1 7 VAL C C 11.507 2.074 1.622 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 6 . 1047 . 1 1 7 VAL CA C 10.510 2.982 0.907 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 6 . 1048 . 1 1 7 VAL CB C 9.706 3.799 1.932 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 6 . 1049 . 1 1 7 VAL CG1 C 10.638 4.762 2.662 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 6 . 1050 . 1 1 7 VAL CG2 C 8.612 4.610 1.220 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 6 . 1051 . 1 1 7 VAL H H 8.668 2.089 0.351 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 6 . 1052 . 1 1 7 VAL HA H 11.050 3.660 0.263 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 6 . 1053 . 1 1 7 VAL HB H 9.252 3.130 2.651 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 6 . 1054 . 1 1 7 VAL HG11 H 11.196 4.227 3.414 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 6 . 1055 . 1 1 7 VAL HG12 H 10.054 5.541 3.132 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 6 . 1056 . 1 1 7 VAL HG13 H 11.321 5.203 1.954 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 6 . 1057 . 1 1 7 VAL HG21 H 8.897 5.648 1.198 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 6 . 1058 . 1 1 7 VAL HG22 H 7.674 4.505 1.754 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 6 . 1059 . 1 1 7 VAL HG23 H 8.492 4.250 0.211 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 6 . 1060 . 1 1 7 VAL N N 9.609 2.177 0.091 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 6 . 1061 . 1 1 7 VAL O O 12.709 2.341 1.645 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 6 . 1062 . 1 1 8 HIS C C 12.926 -0.462 1.951 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 6 . 1063 . 1 1 8 HIS CA C 11.860 0.049 2.898 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 6 . 1064 . 1 1 8 HIS CB C 11.053 -1.131 3.433 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 6 . 1065 . 1 1 8 HIS CD2 C 12.768 -1.639 5.359 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 6 . 1066 . 1 1 8 HIS CE1 C 12.907 -3.785 5.096 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 6 . 1067 . 1 1 8 HIS CG C 11.939 -1.967 4.316 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 6 . 1068 . 1 1 8 HIS H H 10.035 0.819 2.143 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 6 . 1069 . 1 1 8 HIS HA H 12.334 0.557 3.723 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 6 . 1070 . 1 1 8 HIS HB2 H 10.209 -0.766 4.005 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 1071 . 1 1 8 HIS HB3 H 10.699 -1.731 2.609 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 1072 . 1 1 8 HIS HD2 H 12.927 -0.639 5.741 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 6 . 1073 . 1 1 8 HIS HE1 H 13.183 -4.824 5.220 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 6 . 1074 . 1 1 8 HIS HE2 H 14.017 -2.857 6.596 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 6 . 1075 . 1 1 8 HIS N N 11.001 0.989 2.198 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 6 . 1076 . 1 1 8 HIS ND1 N 12.045 -3.339 4.164 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 6 . 1077 . 1 1 8 HIS NE2 N 13.376 -2.791 5.853 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 6 . 1078 . 1 1 8 HIS O O 14.115 -0.392 2.243 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 6 . 1079 . 1 1 9 GLN C C 14.153 -0.310 -0.856 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 6 . 1080 . 1 1 9 GLN CA C 13.416 -1.472 -0.193 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 6 . 1081 . 1 1 9 GLN CB C 12.687 -2.321 -1.245 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 6 . 1082 . 1 1 9 GLN CD C 12.317 -1.208 -3.468 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 6 . 1083 . 1 1 9 GLN CG C 11.741 -1.441 -2.073 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 6 . 1084 . 1 1 9 GLN H H 11.527 -0.989 0.623 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 6 . 1085 . 1 1 9 GLN HA H 14.137 -2.094 0.307 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 6 . 1086 . 1 1 9 GLN HB2 H 13.417 -2.778 -1.899 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 1087 . 1 1 9 GLN HB3 H 12.118 -3.093 -0.748 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 1088 . 1 1 9 GLN HE21 H 14.209 -1.109 -2.853 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 6 . 1089 . 1 1 9 GLN HE22 H 13.971 -0.939 -4.528 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 6 . 1090 . 1 1 9 GLN HG2 H 10.784 -1.932 -2.165 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 6 . 1091 . 1 1 9 GLN HG3 H 11.610 -0.495 -1.580 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 6 . 1092 . 1 1 9 GLN N N 12.490 -0.966 0.805 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 6 . 1093 . 1 1 9 GLN NE2 N 13.604 -1.070 -3.628 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 6 . 1094 . 1 1 9 GLN O O 15.140 -0.511 -1.562 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 6 . 1095 . 1 1 9 GLN OE1 O 11.566 -1.135 -4.445 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 6 . 1096 . 1 1 10 ARG C C 14.232 2.036 -2.720 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 6 . 1097 . 1 1 10 ARG CA C 14.250 2.100 -1.201 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 6 . 1098 . 1 1 10 ARG CB C 15.680 2.285 -0.687 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 6 . 1099 . 1 1 10 ARG CD C 15.744 2.757 1.802 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 6 . 1100 . 1 1 10 ARG CG C 15.660 3.363 0.395 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 6 . 1101 . 1 1 10 ARG CZ C 16.775 0.539 1.679 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 6 . 1102 . 1 1 10 ARG H H 12.864 1.002 -0.066 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 6 . 1103 . 1 1 10 ARG HA H 13.661 2.950 -0.888 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 6 . 1104 . 1 1 10 ARG HB2 H 16.045 1.357 -0.283 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 6 . 1105 . 1 1 10 ARG HB3 H 16.322 2.602 -1.497 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 6 . 1106 . 1 1 10 ARG HD2 H 16.667 3.061 2.270 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 6 . 1107 . 1 1 10 ARG HD3 H 14.914 3.139 2.383 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 6 . 1108 . 1 1 10 ARG HE H 14.804 0.850 1.899 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 6 . 1109 . 1 1 10 ARG HG2 H 16.494 4.031 0.252 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 6 . 1110 . 1 1 10 ARG HG3 H 14.737 3.921 0.310 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 6 . 1111 . 1 1 10 ARG HH11 H 15.784 -1.187 1.961 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 6 . 1112 . 1 1 10 ARG HH12 H 17.498 -1.330 1.715 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 6 . 1113 . 1 1 10 ARG HH21 H 18.006 2.089 1.368 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 6 . 1114 . 1 1 10 ARG HH22 H 18.759 0.529 1.380 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 6 . 1115 . 1 1 10 ARG N N 13.654 0.905 -0.631 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 6 . 1116 . 1 1 10 ARG NE N 15.681 1.293 1.786 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 6 . 1117 . 1 1 10 ARG NH1 N 16.680 -0.759 1.793 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 6 . 1118 . 1 1 10 ARG NH2 N 17.935 1.095 1.460 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 6 . 1119 . 1 1 10 ARG O O 15.255 2.238 -3.374 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 6 . 1120 . 1 1 11 NH2 HN1 H 12.298 1.617 -2.793 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 6 . 1121 . 1 1 11 NH2 HN2 H 13.076 1.745 -4.299 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 6 . 1122 . 1 1 11 NH2 N N 13.112 1.777 -3.322 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 7 . 1123 . 1 1 1 SER C C 2.686 -0.592 2.061 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 7 . 1124 . 1 1 1 SER CA C 1.993 -0.487 3.415 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 7 . 1125 . 1 1 1 SER CB C 1.145 -1.727 3.679 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 7 . 1126 . 1 1 1 SER H1 H 1.278 1.257 2.557 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 7 . 1127 . 1 1 1 SER H2 H 1.316 1.281 4.255 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 7 . 1128 . 1 1 1 SER H3 H 0.116 0.390 3.444 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 7 . 1129 . 1 1 1 SER HA H 2.735 -0.385 4.192 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 7 . 1130 . 1 1 1 SER HB2 H 1.254 -2.423 2.861 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1131 . 1 1 1 SER HB3 H 1.472 -2.201 4.595 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1132 . 1 1 1 SER HG H -0.762 -2.072 3.488 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 7 . 1133 . 1 1 1 SER N N 1.108 0.698 3.416 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 7 . 1134 . 1 1 1 SER O O 3.896 -0.809 1.987 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 7 . 1135 . 1 1 1 SER OG O -0.223 -1.336 3.790 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 7 . 1136 . 1 1 2 ARG C C 3.600 0.455 -0.570 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 7 . 1137 . 1 1 2 ARG CA C 2.467 -0.542 -0.351 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 7 . 1138 . 1 1 2 ARG CB C 1.368 -0.285 -1.382 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 7 . 1139 . 1 1 2 ARG CD C 1.012 -0.493 -3.840 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 7 . 1140 . 1 1 2 ARG CG C 1.583 -1.178 -2.607 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 7 . 1141 . 1 1 2 ARG CZ C 2.848 1.059 -3.990 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 7 . 1142 . 1 1 2 ARG H H 0.952 -0.276 1.102 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 7 . 1143 . 1 1 2 ARG HA H 2.849 -1.540 -0.496 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 7 . 1144 . 1 1 2 ARG HB2 H 0.405 -0.510 -0.950 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1145 . 1 1 2 ARG HB3 H 1.389 0.749 -1.680 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1146 . 1 1 2 ARG HD2 H 1.282 -1.050 -4.726 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 7 . 1147 . 1 1 2 ARG HD3 H -0.065 -0.448 -3.752 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 7 . 1148 . 1 1 2 ARG HE H 0.927 1.615 -3.832 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 7 . 1149 . 1 1 2 ARG HG2 H 2.634 -1.369 -2.749 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 7 . 1150 . 1 1 2 ARG HG3 H 1.076 -2.097 -2.456 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 7 . 1151 . 1 1 2 ARG HH11 H 2.647 2.973 -3.583 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 7 . 1152 . 1 1 2 ARG HH12 H 4.274 2.449 -3.868 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 7 . 1153 . 1 1 2 ARG HH21 H 3.314 -0.847 -4.421 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 7 . 1154 . 1 1 2 ARG HH22 H 4.655 0.239 -4.301 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 7 . 1155 . 1 1 2 ARG N N 1.914 -0.443 0.990 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 7 . 1156 . 1 1 2 ARG NE N 1.543 0.847 -3.919 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 7 . 1157 . 1 1 2 ARG NH1 N 3.294 2.249 -3.792 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 7 . 1158 . 1 1 2 ARG NH2 N 3.669 0.075 -4.258 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 7 . 1159 . 1 1 2 ARG O O 4.659 0.101 -1.083 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 7 . 1160 . 1 1 3 PHE C C 5.574 2.531 0.556 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 7 . 1161 . 1 1 3 PHE CA C 4.400 2.724 -0.394 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 7 . 1162 . 1 1 3 PHE CB C 3.812 4.113 -0.202 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 7 . 1163 . 1 1 3 PHE CD1 C 3.072 5.180 -2.348 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 7 . 1164 . 1 1 3 PHE CD2 C 5.413 5.279 -1.734 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 7 . 1165 . 1 1 3 PHE CE1 C 3.354 5.862 -3.530 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 7 . 1166 . 1 1 3 PHE CE2 C 5.693 5.969 -2.916 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 7 . 1167 . 1 1 3 PHE CG C 4.101 4.888 -1.452 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 7 . 1168 . 1 1 3 PHE CZ C 4.660 6.255 -3.812 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 7 . 1169 . 1 1 3 PHE H H 2.511 1.948 0.196 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 7 . 1170 . 1 1 3 PHE HA H 4.764 2.658 -1.415 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 7 . 1171 . 1 1 3 PHE HB2 H 2.746 4.041 -0.043 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1172 . 1 1 3 PHE HB3 H 4.281 4.596 0.644 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1173 . 1 1 3 PHE HD1 H 2.062 4.875 -2.129 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 7 . 1174 . 1 1 3 PHE HD2 H 6.208 5.053 -1.037 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 7 . 1175 . 1 1 3 PHE HE1 H 2.559 6.090 -4.224 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 7 . 1176 . 1 1 3 PHE HE2 H 6.707 6.275 -3.138 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 7 . 1177 . 1 1 3 PHE HZ H 4.873 6.770 -4.725 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 7 . 1178 . 1 1 3 PHE N N 3.374 1.705 -0.199 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 7 . 1179 . 1 1 3 PHE O O 6.722 2.778 0.190 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 7 . 1180 . 1 1 4 GLU C C 7.359 0.883 2.281 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 7 . 1181 . 1 1 4 GLU CA C 6.321 1.896 2.766 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 7 . 1182 . 1 1 4 GLU CB C 5.675 1.419 4.062 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 7 . 1183 . 1 1 4 GLU CD C 3.301 2.203 4.152 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 7 . 1184 . 1 1 4 GLU CG C 4.727 2.505 4.583 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 7 . 1185 . 1 1 4 GLU H H 4.350 1.935 2.022 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 7 . 1186 . 1 1 4 GLU HA H 6.816 2.835 2.956 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 7 . 1187 . 1 1 4 GLU HB2 H 5.119 0.510 3.874 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1188 . 1 1 4 GLU HB3 H 6.438 1.230 4.790 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1189 . 1 1 4 GLU HG2 H 4.776 2.535 5.662 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 7 . 1190 . 1 1 4 GLU HG3 H 5.023 3.466 4.186 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 7 . 1191 . 1 1 4 GLU N N 5.284 2.103 1.774 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 7 . 1192 . 1 1 4 GLU O O 8.555 1.066 2.498 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 7 . 1193 . 1 1 4 GLU OE1 O 3.029 2.279 2.964 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 7 . 1194 . 1 1 4 GLU OE2 O 2.499 1.886 5.010 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 7 . 1195 . 1 1 5 LEU C C 8.820 -0.525 0.152 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 7 . 1196 . 1 1 5 LEU CA C 7.835 -1.173 1.113 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 7 . 1197 . 1 1 5 LEU CB C 7.051 -2.264 0.396 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 7 . 1198 . 1 1 5 LEU CD1 C 4.785 -3.240 0.781 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 7 . 1199 . 1 1 5 LEU CD2 C 6.799 -4.363 1.745 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 7 . 1200 . 1 1 5 LEU CG C 6.164 -3.011 1.397 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 7 . 1201 . 1 1 5 LEU H H 5.958 -0.287 1.445 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 7 . 1202 . 1 1 5 LEU HA H 8.378 -1.609 1.939 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 7 . 1203 . 1 1 5 LEU HB2 H 6.434 -1.815 -0.368 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1204 . 1 1 5 LEU HB3 H 7.735 -2.948 -0.058 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1205 . 1 1 5 LEU HD11 H 4.494 -2.366 0.220 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 7 . 1206 . 1 1 5 LEU HD12 H 4.064 -3.418 1.565 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 7 . 1207 . 1 1 5 LEU HD13 H 4.820 -4.095 0.123 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 7 . 1208 . 1 1 5 LEU HD21 H 6.666 -5.052 0.922 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 7 . 1209 . 1 1 5 LEU HD22 H 6.326 -4.765 2.630 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 7 . 1210 . 1 1 5 LEU HD23 H 7.854 -4.227 1.935 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 7 . 1211 . 1 1 5 LEU HG H 6.059 -2.418 2.294 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 7 . 1212 . 1 1 5 LEU N N 6.912 -0.177 1.615 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 7 . 1213 . 1 1 5 LEU O O 10.010 -0.841 0.145 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 7 . 1214 . 1 1 6 ILE C C 10.227 1.863 -0.931 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 7 . 1215 . 1 1 6 ILE CA C 9.117 1.095 -1.629 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 7 . 1216 . 1 1 6 ILE CB C 8.240 2.069 -2.426 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 7 . 1217 . 1 1 6 ILE CD1 C 7.136 0.024 -3.330 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 7 . 1218 . 1 1 6 ILE CG1 C 6.898 1.416 -2.753 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 7 . 1219 . 1 1 6 ILE CG2 C 8.942 2.443 -3.734 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 7 . 1220 . 1 1 6 ILE H H 7.345 0.592 -0.594 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 7 . 1221 . 1 1 6 ILE HA H 9.558 0.381 -2.306 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 7 . 1222 . 1 1 6 ILE HB H 8.072 2.960 -1.838 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 7 . 1223 . 1 1 6 ILE HD11 H 8.145 -0.040 -3.712 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 7 . 1224 . 1 1 6 ILE HD12 H 6.436 -0.153 -4.130 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 7 . 1225 . 1 1 6 ILE HD13 H 6.995 -0.713 -2.555 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 7 . 1226 . 1 1 6 ILE HG12 H 6.307 1.337 -1.854 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 7 . 1227 . 1 1 6 ILE HG13 H 6.375 2.015 -3.478 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 7 . 1228 . 1 1 6 ILE HG21 H 9.823 3.026 -3.515 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 7 . 1229 . 1 1 6 ILE HG22 H 8.270 3.020 -4.350 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 7 . 1230 . 1 1 6 ILE HG23 H 9.226 1.543 -4.260 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 7 . 1231 . 1 1 6 ILE N N 8.302 0.389 -0.656 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 7 . 1232 . 1 1 6 ILE O O 11.396 1.769 -1.301 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 7 . 1233 . 1 1 7 VAL C C 11.644 2.560 1.770 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 7 . 1234 . 1 1 7 VAL CA C 10.825 3.426 0.809 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 7 . 1235 . 1 1 7 VAL CB C 10.118 4.545 1.584 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 7 . 1236 . 1 1 7 VAL CG1 C 9.549 5.570 0.596 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 7 . 1237 . 1 1 7 VAL CG2 C 8.969 3.971 2.413 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 7 . 1238 . 1 1 7 VAL H H 8.901 2.678 0.311 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 7 . 1239 . 1 1 7 VAL HA H 11.501 3.879 0.102 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 7 . 1240 . 1 1 7 VAL HB H 10.828 5.028 2.238 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 7 . 1241 . 1 1 7 VAL HG11 H 8.890 5.072 -0.102 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 7 . 1242 . 1 1 7 VAL HG12 H 10.355 6.041 0.055 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 7 . 1243 . 1 1 7 VAL HG13 H 8.992 6.322 1.139 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 7 . 1244 . 1 1 7 VAL HG21 H 9.341 3.199 3.069 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 7 . 1245 . 1 1 7 VAL HG22 H 8.223 3.558 1.753 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 7 . 1246 . 1 1 7 VAL HG23 H 8.525 4.761 3.004 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 7 . 1247 . 1 1 7 VAL N N 9.852 2.633 0.071 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 7 . 1248 . 1 1 7 VAL O O 12.834 2.807 1.974 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 7 . 1249 . 1 1 8 HIS C C 12.631 -0.285 2.720 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 7 . 1250 . 1 1 8 HIS CA C 11.665 0.715 3.359 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 7 . 1251 . 1 1 8 HIS CB C 10.616 -0.054 4.165 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 7 . 1252 . 1 1 8 HIS CD2 C 11.621 -1.981 5.641 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 7 . 1253 . 1 1 8 HIS CE1 C 12.178 -0.794 7.367 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 7 . 1254 . 1 1 8 HIS CG C 11.263 -0.683 5.367 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 7 . 1255 . 1 1 8 HIS H H 10.039 1.449 2.208 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 7 . 1256 . 1 1 8 HIS HA H 12.217 1.340 4.038 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 7 . 1257 . 1 1 8 HIS HB2 H 9.841 0.627 4.488 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1258 . 1 1 8 HIS HB3 H 10.183 -0.826 3.546 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1259 . 1 1 8 HIS HD2 H 11.475 -2.823 4.977 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 7 . 1260 . 1 1 8 HIS HE1 H 12.554 -0.501 8.337 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 7 . 1261 . 1 1 8 HIS HE2 H 12.559 -2.844 7.355 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 7 . 1262 . 1 1 8 HIS N N 10.997 1.576 2.385 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 7 . 1263 . 1 1 8 HIS ND1 N 11.627 0.054 6.480 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 7 . 1264 . 1 1 8 HIS NE2 N 12.200 -2.048 6.904 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 7 . 1265 . 1 1 8 HIS O O 13.668 -0.599 3.307 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 7 . 1266 . 1 1 9 GLN C C 14.591 -1.339 0.787 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 7 . 1267 . 1 1 9 GLN CA C 13.143 -1.818 0.906 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 7 . 1268 . 1 1 9 GLN CB C 12.599 -2.174 -0.487 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 7 . 1269 . 1 1 9 GLN CD C 11.860 -1.203 -2.669 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 7 . 1270 . 1 1 9 GLN CG C 12.647 -0.943 -1.393 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 7 . 1271 . 1 1 9 GLN H H 11.431 -0.565 1.131 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 7 . 1272 . 1 1 9 GLN HA H 13.132 -2.714 1.512 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 7 . 1273 . 1 1 9 GLN HB2 H 13.204 -2.961 -0.919 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1274 . 1 1 9 GLN HB3 H 11.578 -2.520 -0.397 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1275 . 1 1 9 GLN HE21 H 10.219 -1.748 -1.705 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 7 . 1276 . 1 1 9 GLN HE22 H 10.111 -1.782 -3.401 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 7 . 1277 . 1 1 9 GLN HG2 H 12.211 -0.106 -0.873 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 7 . 1278 . 1 1 9 GLN HG3 H 13.673 -0.716 -1.640 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 7 . 1279 . 1 1 9 GLN N N 12.286 -0.817 1.552 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 7 . 1280 . 1 1 9 GLN NE2 N 10.629 -1.611 -2.587 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 7 . 1281 . 1 1 9 GLN O O 15.521 -2.149 0.826 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 7 . 1282 . 1 1 9 GLN OE1 O 12.383 -1.026 -3.772 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 7 . 1283 . 1 1 10 ARG C C 16.983 0.081 1.724 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 7 . 1284 . 1 1 10 ARG CA C 16.145 0.500 0.524 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 7 . 1285 . 1 1 10 ARG CB C 16.123 2.027 0.439 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 7 . 1286 . 1 1 10 ARG CD C 14.374 2.807 -1.178 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 7 . 1287 . 1 1 10 ARG CG C 15.854 2.454 -1.009 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 7 . 1288 . 1 1 10 ARG CZ C 13.853 4.915 -0.062 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 7 . 1289 . 1 1 10 ARG H H 14.021 0.576 0.619 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 7 . 1290 . 1 1 10 ARG HA H 16.595 0.106 -0.375 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 7 . 1291 . 1 1 10 ARG HB2 H 15.348 2.414 1.084 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 7 . 1292 . 1 1 10 ARG HB3 H 17.082 2.417 0.756 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 7 . 1293 . 1 1 10 ARG HD2 H 14.240 3.375 -2.086 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 7 . 1294 . 1 1 10 ARG HD3 H 13.801 1.895 -1.248 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 7 . 1295 . 1 1 10 ARG HE H 13.606 3.114 0.784 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 7 . 1296 . 1 1 10 ARG HG2 H 16.460 3.317 -1.247 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 7 . 1297 . 1 1 10 ARG HG3 H 16.107 1.644 -1.681 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 7 . 1298 . 1 1 10 ARG HH11 H 13.133 5.047 1.793 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 7 . 1299 . 1 1 10 ARG HH12 H 13.375 6.556 0.980 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 7 . 1300 . 1 1 10 ARG HH21 H 14.584 5.074 -1.918 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 7 . 1301 . 1 1 10 ARG HH22 H 14.205 6.569 -1.131 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 7 . 1302 . 1 1 10 ARG N N 14.790 -0.033 0.644 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 7 . 1303 . 1 1 10 ARG NE N 13.899 3.587 -0.036 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 7 . 1304 . 1 1 10 ARG NH1 N 13.423 5.554 0.983 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 7 . 1305 . 1 1 10 ARG NH2 N 14.244 5.570 -1.118 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 7 . 1306 . 1 1 10 ARG O O 18.212 0.035 1.646 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 7 . 1307 . 1 1 11 NH2 HN1 H 15.404 -0.189 2.899 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 7 . 1308 . 1 1 11 NH2 HN2 H 16.911 -0.492 3.622 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 7 . 1309 . 1 1 11 NH2 N N 16.384 -0.224 2.841 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 8 . 1310 . 1 1 1 SER C C 2.113 0.488 2.448 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 8 . 1311 . 1 1 1 SER CA C 1.424 1.074 3.686 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 8 . 1312 . 1 1 1 SER CB C -0.079 0.761 3.677 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 8 . 1313 . 1 1 1 SER H1 H 2.353 2.811 3.033 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 8 . 1314 . 1 1 1 SER H2 H 1.863 2.856 4.653 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 8 . 1315 . 1 1 1 SER H3 H 0.708 2.997 3.409 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 8 . 1316 . 1 1 1 SER HA H 1.871 0.655 4.575 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 8 . 1317 . 1 1 1 SER HB2 H -0.307 0.106 2.859 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1318 . 1 1 1 SER HB3 H -0.347 0.280 4.609 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1319 . 1 1 1 SER HG H -1.760 1.763 3.606 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 8 . 1320 . 1 1 1 SER N N 1.599 2.546 3.696 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 8 . 1321 . 1 1 1 SER O O 3.156 -0.163 2.552 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 8 . 1322 . 1 1 1 SER OG O -0.818 1.974 3.521 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 8 . 1323 . 1 1 2 ARG C C 3.473 0.764 -0.225 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 8 . 1324 . 1 1 2 ARG CA C 2.077 0.207 0.032 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 8 . 1325 . 1 1 2 ARG CB C 1.167 0.605 -1.129 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 8 . 1326 . 1 1 2 ARG CD C 0.978 0.471 -3.604 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 8 . 1327 . 1 1 2 ARG CG C 1.491 -0.240 -2.361 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 8 . 1328 . 1 1 2 ARG CZ C 2.786 1.932 -4.223 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 8 . 1329 . 1 1 2 ARG H H 0.693 1.242 1.263 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 8 . 1330 . 1 1 2 ARG HA H 2.129 -0.870 0.083 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 8 . 1331 . 1 1 2 ARG HB2 H 0.137 0.453 -0.846 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1332 . 1 1 2 ARG HB3 H 1.323 1.647 -1.362 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1333 . 1 1 2 ARG HD2 H 1.233 -0.101 -4.486 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 8 . 1334 . 1 1 2 ARG HD3 H -0.094 0.580 -3.542 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 8 . 1335 . 1 1 2 ARG HE H 1.167 2.528 -3.202 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 8 . 1336 . 1 1 2 ARG HG2 H 2.561 -0.378 -2.433 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 8 . 1337 . 1 1 2 ARG HG3 H 1.018 -1.187 -2.281 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 8 . 1338 . 1 1 2 ARG HH11 H 3.007 3.708 -3.406 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 8 . 1339 . 1 1 2 ARG HH12 H 4.313 3.201 -4.423 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 8 . 1340 . 1 1 2 ARG HH21 H 2.801 0.160 -5.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 8 . 1341 . 1 1 2 ARG HH22 H 4.202 1.146 -5.417 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 8 . 1342 . 1 1 2 ARG N N 1.523 0.718 1.283 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 8 . 1343 . 1 1 2 ARG NE N 1.596 1.772 -3.668 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 8 . 1344 . 1 1 2 ARG NH1 N 3.421 3.029 -4.000 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 8 . 1345 . 1 1 2 ARG NH2 N 3.303 1.007 -4.991 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 8 . 1346 . 1 1 2 ARG O O 4.388 0.029 -0.594 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 8 . 1347 . 1 1 3 PHE C C 6.010 2.176 0.562 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 8 . 1348 . 1 1 3 PHE CA C 4.888 2.738 -0.302 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 8 . 1349 . 1 1 3 PHE CB C 4.737 4.235 -0.047 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 8 . 1350 . 1 1 3 PHE CD1 C 5.668 5.026 -2.226 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 8 . 1351 . 1 1 3 PHE CD2 C 3.297 5.304 -1.800 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 8 . 1352 . 1 1 3 PHE CE1 C 5.512 5.579 -3.490 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 8 . 1353 . 1 1 3 PHE CE2 C 3.139 5.868 -3.066 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 8 . 1354 . 1 1 3 PHE CG C 4.561 4.886 -1.383 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 8 . 1355 . 1 1 3 PHE CZ C 4.249 6.000 -3.909 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 8 . 1356 . 1 1 3 PHE H H 2.841 2.605 0.217 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 8 . 1357 . 1 1 3 PHE HA H 5.150 2.607 -1.348 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 8 . 1358 . 1 1 3 PHE HB2 H 3.873 4.420 0.575 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1359 . 1 1 3 PHE HB3 H 5.623 4.621 0.429 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1360 . 1 1 3 PHE HD1 H 6.645 4.700 -1.896 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 8 . 1361 . 1 1 3 PHE HD2 H 2.446 5.200 -1.142 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 8 . 1362 . 1 1 3 PHE HE1 H 6.367 5.690 -4.144 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 8 . 1363 . 1 1 3 PHE HE2 H 2.165 6.197 -3.394 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 8 . 1364 . 1 1 3 PHE HZ H 4.131 6.416 -4.885 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 8 . 1365 . 1 1 3 PHE N N 3.615 2.071 -0.057 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 8 . 1366 . 1 1 3 PHE O O 7.132 2.007 0.090 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 8 . 1367 . 1 1 4 GLU C C 7.336 0.117 2.226 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 8 . 1368 . 1 1 4 GLU CA C 6.711 1.400 2.747 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 8 . 1369 . 1 1 4 GLU CB C 6.069 1.159 4.111 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 8 . 1370 . 1 1 4 GLU CD C 4.289 2.896 4.408 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 8 . 1371 . 1 1 4 GLU CG C 5.716 2.506 4.752 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 8 . 1372 . 1 1 4 GLU H H 4.800 2.079 2.161 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 8 . 1373 . 1 1 4 GLU HA H 7.487 2.141 2.857 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 8 . 1374 . 1 1 4 GLU HB2 H 5.172 0.568 3.991 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1375 . 1 1 4 GLU HB3 H 6.759 0.632 4.742 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1376 . 1 1 4 GLU HG2 H 5.817 2.431 5.824 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 8 . 1377 . 1 1 4 GLU HG3 H 6.392 3.263 4.384 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 8 . 1378 . 1 1 4 GLU N N 5.710 1.910 1.827 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 8 . 1379 . 1 1 4 GLU O O 8.548 -0.085 2.353 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 8 . 1380 . 1 1 4 GLU OE1 O 3.519 3.110 5.323 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 8 . 1381 . 1 1 4 GLU OE2 O 3.979 2.977 3.233 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 8 . 1382 . 1 1 5 LEU C C 8.118 -1.643 0.044 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 8 . 1383 . 1 1 5 LEU CA C 7.049 -1.970 1.071 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 8 . 1384 . 1 1 5 LEU CB C 5.913 -2.751 0.427 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 8 . 1385 . 1 1 5 LEU CD1 C 3.604 -3.164 1.285 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 8 . 1386 . 1 1 5 LEU CD2 C 5.345 -4.945 1.512 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 8 . 1387 . 1 1 5 LEU CG C 5.089 -3.433 1.525 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 8 . 1388 . 1 1 5 LEU H H 5.579 -0.534 1.511 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 8 . 1389 . 1 1 5 LEU HA H 7.485 -2.561 1.866 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 8 . 1390 . 1 1 5 LEU HB2 H 5.285 -2.071 -0.133 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1391 . 1 1 5 LEU HB3 H 6.318 -3.485 -0.233 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1392 . 1 1 5 LEU HD11 H 3.483 -2.567 0.394 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 8 . 1393 . 1 1 5 LEU HD12 H 3.197 -2.632 2.132 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 8 . 1394 . 1 1 5 LEU HD13 H 3.082 -4.101 1.165 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 8 . 1395 . 1 1 5 LEU HD21 H 4.674 -5.421 0.813 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 8 . 1396 . 1 1 5 LEU HD22 H 5.172 -5.344 2.503 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 8 . 1397 . 1 1 5 LEU HD23 H 6.366 -5.139 1.223 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 8 . 1398 . 1 1 5 LEU HG H 5.373 -3.030 2.488 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 8 . 1399 . 1 1 5 LEU N N 6.529 -0.738 1.616 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 8 . 1400 . 1 1 5 LEU O O 9.106 -2.364 -0.096 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 8 . 1401 . 1 1 6 ILE C C 10.018 0.609 -0.941 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 8 . 1402 . 1 1 6 ILE CA C 8.865 -0.077 -1.648 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 8 . 1403 . 1 1 6 ILE CB C 8.189 0.908 -2.610 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 8 . 1404 . 1 1 6 ILE CD1 C 6.928 -1.089 -3.421 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 8 . 1405 . 1 1 6 ILE CG1 C 6.805 0.373 -2.999 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 8 . 1406 . 1 1 6 ILE CG2 C 9.043 1.067 -3.871 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 8 . 1407 . 1 1 6 ILE H H 7.123 0.004 -0.478 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 8 . 1408 . 1 1 6 ILE HA H 9.233 -0.922 -2.198 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 8 . 1409 . 1 1 6 ILE HB H 8.085 1.872 -2.121 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 8 . 1410 . 1 1 6 ILE HD11 H 7.886 -1.244 -3.894 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 8 . 1411 . 1 1 6 ILE HD12 H 6.137 -1.335 -4.113 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 8 . 1412 . 1 1 6 ILE HD13 H 6.853 -1.719 -2.548 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 8 . 1413 . 1 1 6 ILE HG12 H 6.135 0.450 -2.156 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 8 . 1414 . 1 1 6 ILE HG13 H 6.413 0.950 -3.825 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 8 . 1415 . 1 1 6 ILE HG21 H 8.792 0.288 -4.576 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 8 . 1416 . 1 1 6 ILE HG22 H 10.088 0.998 -3.613 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 8 . 1417 . 1 1 6 ILE HG23 H 8.847 2.032 -4.317 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 8 . 1418 . 1 1 6 ILE N N 7.918 -0.532 -0.652 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 8 . 1419 . 1 1 6 ILE O O 11.189 0.328 -1.210 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 8 . 1420 . 1 1 7 VAL C C 11.554 1.257 1.499 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 8 . 1421 . 1 1 7 VAL CA C 10.656 2.232 0.753 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 8 . 1422 . 1 1 7 VAL CB C 9.960 3.170 1.753 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 8 . 1423 . 1 1 7 VAL CG1 C 10.994 4.100 2.394 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 8 . 1424 . 1 1 7 VAL CG2 C 8.911 4.017 1.021 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 8 . 1425 . 1 1 7 VAL H H 8.705 1.654 0.147 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 8 . 1426 . 1 1 7 VAL HA H 11.263 2.821 0.082 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 8 . 1427 . 1 1 7 VAL HB H 9.480 2.582 2.524 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 8 . 1428 . 1 1 7 VAL HG11 H 10.485 4.860 2.967 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 8 . 1429 . 1 1 7 VAL HG12 H 11.584 4.568 1.619 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 8 . 1430 . 1 1 7 VAL HG13 H 11.640 3.529 3.045 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 8 . 1431 . 1 1 7 VAL HG21 H 7.964 3.953 1.538 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 8 . 1432 . 1 1 7 VAL HG22 H 8.792 3.656 0.009 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 8 . 1433 . 1 1 7 VAL HG23 H 9.232 5.048 0.995 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 8 . 1434 . 1 1 7 VAL N N 9.664 1.499 -0.022 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 8 . 1435 . 1 1 7 VAL O O 12.667 1.596 1.887 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 8 . 1436 . 1 1 8 HIS C C 13.228 -1.083 1.857 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 8 . 1437 . 1 1 8 HIS CA C 11.800 -0.993 2.392 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 8 . 1438 . 1 1 8 HIS CB C 11.089 -2.343 2.216 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 8 . 1439 . 1 1 8 HIS CD2 C 12.640 -4.330 2.950 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 8 . 1440 . 1 1 8 HIS CE1 C 11.993 -4.476 5.012 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 8 . 1441 . 1 1 8 HIS CG C 11.687 -3.362 3.140 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 8 . 1442 . 1 1 8 HIS H H 10.156 -0.164 1.349 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 8 . 1443 . 1 1 8 HIS HA H 11.834 -0.746 3.441 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 8 . 1444 . 1 1 8 HIS HB2 H 10.041 -2.227 2.447 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1445 . 1 1 8 HIS HB3 H 11.192 -2.680 1.195 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1446 . 1 1 8 HIS HD2 H 13.159 -4.523 2.021 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 8 . 1447 . 1 1 8 HIS HE1 H 11.899 -4.788 6.043 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 8 . 1448 . 1 1 8 HIS HE2 H 13.442 -5.788 4.285 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 8 . 1449 . 1 1 8 HIS N N 11.054 0.040 1.687 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 8 . 1450 . 1 1 8 HIS ND1 N 11.290 -3.474 4.460 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 8 . 1451 . 1 1 8 HIS NE2 N 12.831 -5.034 4.133 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 8 . 1452 . 1 1 8 HIS O O 14.147 -1.471 2.581 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 8 . 1453 . 1 1 9 GLN C C 15.634 0.320 0.624 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 8 . 1454 . 1 1 9 GLN CA C 14.743 -0.757 0.006 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 8 . 1455 . 1 1 9 GLN CB C 14.653 -0.565 -1.510 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 8 . 1456 . 1 1 9 GLN CD C 15.062 1.840 -2.063 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 8 . 1457 . 1 1 9 GLN CG C 13.992 0.780 -1.842 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 8 . 1458 . 1 1 9 GLN H H 12.657 -0.409 0.061 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 8 . 1459 . 1 1 9 GLN HA H 15.175 -1.721 0.205 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 8 . 1460 . 1 1 9 GLN HB2 H 15.649 -0.589 -1.932 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1461 . 1 1 9 GLN HB3 H 14.066 -1.365 -1.935 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1462 . 1 1 9 GLN HE21 H 16.022 0.798 -3.451 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 8 . 1463 . 1 1 9 GLN HE22 H 16.689 2.318 -3.093 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 8 . 1464 . 1 1 9 GLN HG2 H 13.399 0.678 -2.738 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 8 . 1465 . 1 1 9 GLN HG3 H 13.353 1.083 -1.024 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 8 . 1466 . 1 1 9 GLN N N 13.415 -0.716 0.596 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 8 . 1467 . 1 1 9 GLN NE2 N 16.002 1.635 -2.939 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 8 . 1468 . 1 1 9 GLN O O 16.860 0.193 0.625 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 8 . 1469 . 1 1 9 GLN OE1 O 15.045 2.882 -1.412 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 8 . 1470 . 1 1 10 ARG C C 16.744 3.085 0.846 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 8 . 1471 . 1 1 10 ARG CA C 15.697 2.482 1.781 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 8 . 1472 . 1 1 10 ARG CB C 16.363 2.024 3.079 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 8 . 1473 . 1 1 10 ARG CD C 14.607 0.870 4.465 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 8 . 1474 . 1 1 10 ARG CG C 15.375 2.180 4.247 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 8 . 1475 . 1 1 10 ARG CZ C 16.278 -0.511 5.580 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 8 . 1476 . 1 1 10 ARG H H 14.016 1.386 1.114 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 8 . 1477 . 1 1 10 ARG HA H 14.974 3.246 2.020 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 8 . 1478 . 1 1 10 ARG HB2 H 16.658 0.991 2.984 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 8 . 1479 . 1 1 10 ARG HB3 H 17.237 2.630 3.265 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 8 . 1480 . 1 1 10 ARG HD2 H 14.064 0.920 5.398 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 8 . 1481 . 1 1 10 ARG HD3 H 13.904 0.734 3.656 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 8 . 1482 . 1 1 10 ARG HE H 15.628 -0.826 3.706 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 8 . 1483 . 1 1 10 ARG HG2 H 15.920 2.430 5.144 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 8 . 1484 . 1 1 10 ARG HG3 H 14.673 2.970 4.025 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 8 . 1485 . 1 1 10 ARG HH11 H 17.254 -2.053 4.743 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 8 . 1486 . 1 1 10 ARG HH12 H 17.717 -1.671 6.369 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 8 . 1487 . 1 1 10 ARG HH21 H 15.435 0.940 6.684 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 8 . 1488 . 1 1 10 ARG HH22 H 16.680 0.027 7.468 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 8 . 1489 . 1 1 10 ARG N N 14.997 1.366 1.148 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 8 . 1490 . 1 1 10 ARG NE N 15.536 -0.259 4.501 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 8 . 1491 . 1 1 10 ARG NH1 N 17.145 -1.488 5.564 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 8 . 1492 . 1 1 10 ARG NH2 N 16.117 0.205 6.662 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 8 . 1493 . 1 1 10 ARG O O 16.656 4.260 0.488 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 8 . 1494 . 1 1 11 NH2 HN1 H 17.813 1.417 0.720 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 8 . 1495 . 1 1 11 NH2 HN2 H 18.420 2.746 -0.152 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 8 . 1496 . 1 1 11 NH2 N N 17.740 2.357 0.437 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 9 . 1497 . 1 1 1 SER C C 2.415 -0.085 2.415 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 9 . 1498 . 1 1 1 SER CA C 1.701 0.258 3.724 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 9 . 1499 . 1 1 1 SER CB C 2.631 0.083 4.919 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 9 . 1500 . 1 1 1 SER H1 H -0.331 -0.117 3.880 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 9 . 1501 . 1 1 1 SER H2 H 0.647 -1.137 4.824 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 9 . 1502 . 1 1 1 SER H3 H 0.552 -1.366 3.148 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 9 . 1503 . 1 1 1 SER HA H 1.347 1.279 3.687 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 9 . 1504 . 1 1 1 SER HB2 H 3.522 -0.441 4.615 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1505 . 1 1 1 SER HB3 H 2.895 1.051 5.309 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1506 . 1 1 1 SER HG H 2.494 -1.460 6.111 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 9 . 1507 . 1 1 1 SER N N 0.554 -0.658 3.906 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 9 . 1508 . 1 1 1 SER O O 3.586 -0.465 2.407 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 9 . 1509 . 1 1 1 SER OG O 1.959 -0.677 5.924 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 9 . 1510 . 1 1 2 ARG C C 3.478 0.580 -0.310 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 9 . 1511 . 1 1 2 ARG CA C 2.241 -0.262 -0.004 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 9 . 1512 . 1 1 2 ARG CB C 1.177 -0.011 -1.081 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 9 . 1513 . 1 1 2 ARG CD C 0.802 -0.094 -3.535 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 9 . 1514 . 1 1 2 ARG CG C 1.580 -0.706 -2.380 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 9 . 1515 . 1 1 2 ARG CZ C 2.231 1.772 -4.038 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 9 . 1516 . 1 1 2 ARG H H 0.759 0.347 1.382 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 9 . 1517 . 1 1 2 ARG HA H 2.517 -1.305 -0.030 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 9 . 1518 . 1 1 2 ARG HB2 H 0.223 -0.397 -0.751 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1519 . 1 1 2 ARG HB3 H 1.090 1.049 -1.261 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1520 . 1 1 2 ARG HD2 H 1.109 -0.553 -4.463 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 9 . 1521 . 1 1 2 ARG HD3 H -0.256 -0.250 -3.383 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 9 . 1522 . 1 1 2 ARG HE H 0.445 1.951 -3.156 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 9 . 1523 . 1 1 2 ARG HG2 H 2.641 -0.578 -2.548 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 9 . 1524 . 1 1 2 ARG HG3 H 1.354 -1.741 -2.316 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 9 . 1525 . 1 1 2 ARG HH11 H 1.906 3.572 -3.332 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 9 . 1526 . 1 1 2 ARG HH12 H 3.400 3.378 -4.190 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 9 . 1527 . 1 1 2 ARG HH21 H 2.787 0.030 -4.837 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 9 . 1528 . 1 1 2 ARG HH22 H 3.897 1.340 -5.042 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 9 . 1529 . 1 1 2 ARG N N 1.691 0.046 1.311 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 9 . 1530 . 1 1 2 ARG NE N 1.082 1.321 -3.570 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 9 . 1531 . 1 1 2 ARG NH1 N 2.536 3.000 -3.841 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 9 . 1532 . 1 1 2 ARG NH2 N 3.033 0.988 -4.688 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 9 . 1533 . 1 1 2 ARG O O 4.516 0.043 -0.690 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 9 . 1534 . 1 1 3 PHE C C 5.687 2.441 0.461 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 9 . 1535 . 1 1 3 PHE CA C 4.512 2.757 -0.452 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 9 . 1536 . 1 1 3 PHE CB C 4.123 4.221 -0.306 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 9 . 1537 . 1 1 3 PHE CD1 C 3.368 5.322 -2.432 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 9 . 1538 . 1 1 3 PHE CD2 C 5.741 5.004 -2.045 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 9 . 1539 . 1 1 3 PHE CE1 C 3.654 5.884 -3.677 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 9 . 1540 . 1 1 3 PHE CE2 C 6.026 5.572 -3.280 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 9 . 1541 . 1 1 3 PHE CG C 4.411 4.879 -1.620 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 9 . 1542 . 1 1 3 PHE CZ C 4.983 6.012 -4.095 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 9 . 1543 . 1 1 3 PHE H H 2.523 2.284 0.136 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 9 . 1544 . 1 1 3 PHE HA H 4.822 2.596 -1.482 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 9 . 1545 . 1 1 3 PHE HB2 H 3.072 4.297 -0.076 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1546 . 1 1 3 PHE HB3 H 4.711 4.686 0.472 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1547 . 1 1 3 PHE HD1 H 2.342 5.229 -2.101 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 9 . 1548 . 1 1 3 PHE HD2 H 6.547 4.657 -1.413 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 9 . 1549 . 1 1 3 PHE HE1 H 2.853 6.228 -4.312 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 9 . 1550 . 1 1 3 PHE HE2 H 7.053 5.673 -3.607 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 9 . 1551 . 1 1 3 PHE HZ H 5.204 6.437 -5.049 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 9 . 1552 . 1 1 3 PHE N N 3.373 1.892 -0.161 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 9 . 1553 . 1 1 3 PHE O O 6.843 2.508 0.048 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 9 . 1554 . 1 1 4 GLU C C 7.272 0.632 2.164 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 9 . 1555 . 1 1 4 GLU CA C 6.411 1.779 2.669 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 9 . 1556 . 1 1 4 GLU CB C 5.761 1.409 3.999 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 9 . 1557 . 1 1 4 GLU CD C 3.826 3.008 4.255 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 9 . 1558 . 1 1 4 GLU CG C 5.251 2.681 4.689 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 9 . 1559 . 1 1 4 GLU H H 4.441 2.062 1.979 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 9 . 1560 . 1 1 4 GLU HA H 7.036 2.647 2.812 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 9 . 1561 . 1 1 4 GLU HB2 H 4.938 0.733 3.820 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1562 . 1 1 4 GLU HB3 H 6.487 0.926 4.627 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1563 . 1 1 4 GLU HG2 H 5.272 2.530 5.754 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 9 . 1564 . 1 1 4 GLU HG3 H 5.897 3.511 4.436 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 9 . 1565 . 1 1 4 GLU N N 5.381 2.097 1.703 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 9 . 1566 . 1 1 4 GLU O O 8.496 0.666 2.297 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 9 . 1567 . 1 1 4 GLU OE1 O 3.168 3.740 4.969 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 9 . 1568 . 1 1 4 GLU OE2 O 3.407 2.534 3.215 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 9 . 1569 . 1 1 5 LEU C C 8.384 -0.984 -0.001 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 9 . 1570 . 1 1 5 LEU CA C 7.372 -1.493 1.014 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 9 . 1571 . 1 1 5 LEU CB C 6.399 -2.460 0.339 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 9 . 1572 . 1 1 5 LEU CD1 C 4.181 -3.303 1.096 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 9 . 1573 . 1 1 5 LEU CD2 C 6.210 -4.732 1.387 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 9 . 1574 . 1 1 5 LEU CG C 5.677 -3.294 1.401 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 9 . 1575 . 1 1 5 LEU H H 5.662 -0.344 1.453 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 9 . 1576 . 1 1 5 LEU HA H 7.889 -2.007 1.814 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 9 . 1577 . 1 1 5 LEU HB2 H 5.673 -1.897 -0.232 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1578 . 1 1 5 LEU HB3 H 6.938 -3.107 -0.319 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1579 . 1 1 5 LEU HD11 H 4.035 -3.443 0.037 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 9 . 1580 . 1 1 5 LEU HD12 H 3.752 -2.362 1.397 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 9 . 1581 . 1 1 5 LEU HD13 H 3.703 -4.107 1.637 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 9 . 1582 . 1 1 5 LEU HD21 H 6.075 -5.170 2.365 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 9 . 1583 . 1 1 5 LEU HD22 H 7.262 -4.730 1.138 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 9 . 1584 . 1 1 5 LEU HD23 H 5.669 -5.311 0.656 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 9 . 1585 . 1 1 5 LEU HG H 5.841 -2.859 2.378 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 9 . 1586 . 1 1 5 LEU N N 6.638 -0.369 1.555 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 9 . 1587 . 1 1 5 LEU O O 9.527 -1.435 -0.037 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 9 . 1588 . 1 1 6 ILE C C 9.975 1.292 -1.137 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 9 . 1589 . 1 1 6 ILE CA C 8.829 0.559 -1.816 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 9 . 1590 . 1 1 6 ILE CB C 8.034 1.541 -2.687 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 9 . 1591 . 1 1 6 ILE CD1 C 6.914 -0.528 -3.527 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 9 . 1592 . 1 1 6 ILE CG1 C 6.693 0.918 -3.087 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 9 . 1593 . 1 1 6 ILE CG2 C 8.825 1.864 -3.956 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 9 . 1594 . 1 1 6 ILE H H 7.037 0.296 -0.728 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 9 . 1595 . 1 1 6 ILE HA H 9.231 -0.224 -2.434 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 9 . 1596 . 1 1 6 ILE HB H 7.858 2.448 -2.125 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 9 . 1597 . 1 1 6 ILE HD11 H 6.144 -0.812 -4.224 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 9 . 1598 . 1 1 6 ILE HD12 H 6.874 -1.174 -2.661 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 9 . 1599 . 1 1 6 ILE HD13 H 7.882 -0.620 -4.000 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 9 . 1600 . 1 1 6 ILE HG12 H 6.021 0.940 -2.246 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 9 . 1601 . 1 1 6 ILE HG13 H 6.265 1.478 -3.904 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 9 . 1602 . 1 1 6 ILE HG21 H 8.141 2.154 -4.738 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 9 . 1603 . 1 1 6 ILE HG22 H 9.381 0.990 -4.269 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 9 . 1604 . 1 1 6 ILE HG23 H 9.509 2.675 -3.760 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 9 . 1605 . 1 1 6 ILE N N 7.956 -0.027 -0.813 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 9 . 1606 . 1 1 6 ILE O O 11.120 1.226 -1.576 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 9 . 1607 . 1 1 7 VAL C C 11.534 1.799 1.505 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 9 . 1608 . 1 1 7 VAL CA C 10.665 2.742 0.671 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 9 . 1609 . 1 1 7 VAL CB C 9.992 3.768 1.593 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 9 . 1610 . 1 1 7 VAL CG1 C 11.011 4.825 2.028 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 9 . 1611 . 1 1 7 VAL CG2 C 8.838 4.455 0.851 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 9 . 1612 . 1 1 7 VAL H H 8.718 2.007 0.233 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 9 . 1613 . 1 1 7 VAL HA H 11.292 3.265 -0.036 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 9 . 1614 . 1 1 7 VAL HB H 9.610 3.261 2.466 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 9 . 1615 . 1 1 7 VAL HG11 H 11.694 5.025 1.218 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 9 . 1616 . 1 1 7 VAL HG12 H 11.561 4.462 2.884 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 9 . 1617 . 1 1 7 VAL HG13 H 10.494 5.738 2.295 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 9 . 1618 . 1 1 7 VAL HG21 H 8.860 4.183 -0.194 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 9 . 1619 . 1 1 7 VAL HG22 H 8.935 5.526 0.945 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 9 . 1620 . 1 1 7 VAL HG23 H 7.900 4.143 1.283 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 9 . 1621 . 1 1 7 VAL N N 9.654 1.993 -0.066 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 9 . 1622 . 1 1 7 VAL O O 12.735 2.021 1.656 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 9 . 1623 . 1 1 8 HIS C C 12.877 -0.744 2.280 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 9 . 1624 . 1 1 8 HIS CA C 11.593 -0.206 2.914 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 9 . 1625 . 1 1 8 HIS CB C 10.647 -1.375 3.204 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 9 . 1626 . 1 1 8 HIS CD2 C 12.197 -2.969 4.608 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 9 . 1627 . 1 1 8 HIS CE1 C 11.099 -2.898 6.476 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 9 . 1628 . 1 1 8 HIS CG C 11.121 -2.138 4.408 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 9 . 1629 . 1 1 8 HIS H H 9.937 0.665 1.909 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 9 . 1630 . 1 1 8 HIS HA H 11.840 0.272 3.849 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 9 . 1631 . 1 1 8 HIS HB2 H 9.654 -0.992 3.394 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1632 . 1 1 8 HIS HB3 H 10.622 -2.034 2.352 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1633 . 1 1 8 HIS HD2 H 12.946 -3.210 3.866 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 9 . 1634 . 1 1 8 HIS HE1 H 10.793 -3.068 7.500 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 9 . 1635 . 1 1 8 HIS HE2 H 12.825 -4.059 6.337 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 9 . 1636 . 1 1 8 HIS N N 10.906 0.767 2.059 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 9 . 1637 . 1 1 8 HIS ND1 N 10.437 -2.109 5.610 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 9 . 1638 . 1 1 8 HIS NE2 N 12.179 -3.448 5.915 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 9 . 1639 . 1 1 8 HIS O O 13.798 -1.150 2.994 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 9 . 1640 . 1 1 9 GLN C C 15.399 -0.584 0.774 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 9 . 1641 . 1 1 9 GLN CA C 14.128 -1.272 0.267 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 9 . 1642 . 1 1 9 GLN CB C 14.001 -1.064 -1.249 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 9 . 1643 . 1 1 9 GLN CD C 14.984 1.144 -1.909 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 9 . 1644 . 1 1 9 GLN CG C 13.697 0.407 -1.559 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 9 . 1645 . 1 1 9 GLN H H 12.180 -0.435 0.428 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 9 . 1646 . 1 1 9 GLN HA H 14.209 -2.334 0.460 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 9 . 1647 . 1 1 9 GLN HB2 H 14.927 -1.348 -1.727 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1648 . 1 1 9 GLN HB3 H 13.200 -1.681 -1.630 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1649 . 1 1 9 GLN HE21 H 15.497 -0.130 -3.338 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 9 . 1650 . 1 1 9 GLN HE22 H 16.573 1.157 -3.095 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 9 . 1651 . 1 1 9 GLN HG2 H 13.017 0.460 -2.399 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 9 . 1652 . 1 1 9 GLN HG3 H 13.238 0.875 -0.697 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 9 . 1653 . 1 1 9 GLN N N 12.941 -0.760 0.953 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 9 . 1654 . 1 1 9 GLN NE2 N 15.749 0.685 -2.856 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 9 . 1655 . 1 1 9 GLN O O 16.443 -1.230 0.910 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 9 . 1656 . 1 1 9 GLN OE1 O 15.308 2.158 -1.291 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 9 . 1657 . 1 1 10 ARG C C 17.713 1.138 0.721 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 9 . 1658 . 1 1 10 ARG CA C 16.461 1.476 1.532 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 9 . 1659 . 1 1 10 ARG CB C 16.701 1.169 3.016 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 9 . 1660 . 1 1 10 ARG CD C 14.553 1.675 4.206 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 9 . 1661 . 1 1 10 ARG CG C 15.958 2.190 3.884 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 9 . 1662 . 1 1 10 ARG CZ C 14.914 0.112 6.036 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 9 . 1663 . 1 1 10 ARG H H 14.452 1.174 0.920 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 9 . 1664 . 1 1 10 ARG HA H 16.253 2.530 1.420 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 9 . 1665 . 1 1 10 ARG HB2 H 16.336 0.179 3.237 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 9 . 1666 . 1 1 10 ARG HB3 H 17.760 1.219 3.230 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 9 . 1667 . 1 1 10 ARG HD2 H 14.087 2.332 4.924 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 9 . 1668 . 1 1 10 ARG HD3 H 13.968 1.669 3.302 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 9 . 1669 . 1 1 10 ARG HE H 14.418 -0.454 4.168 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 9 . 1670 . 1 1 10 ARG HG2 H 16.504 2.352 4.802 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 9 . 1671 . 1 1 10 ARG HG3 H 15.877 3.122 3.348 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 9 . 1672 . 1 1 10 ARG HH11 H 14.738 -1.881 5.907 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 9 . 1673 . 1 1 10 ARG HH12 H 15.169 -1.274 7.473 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 9 . 1674 . 1 1 10 ARG HH21 H 15.179 2.060 6.442 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 9 . 1675 . 1 1 10 ARG HH22 H 15.416 0.981 7.777 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 9 . 1676 . 1 1 10 ARG N N 15.309 0.714 1.046 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 9 . 1677 . 1 1 10 ARG NE N 14.612 0.320 4.758 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 9 . 1678 . 1 1 10 ARG NH1 N 14.942 -1.106 6.509 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 9 . 1679 . 1 1 10 ARG NH2 N 15.192 1.129 6.811 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 9 . 1680 . 1 1 10 ARG O O 17.874 1.610 -0.404 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 9 . 1681 . 1 1 11 NH2 HN1 H 18.490 -0.043 2.116 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 9 . 1682 . 1 1 11 NH2 HN2 H 19.414 0.110 0.701 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 9 . 1683 . 1 1 11 NH2 N N 18.613 0.336 1.221 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 1 . 10 . 1684 . 1 1 1 SER C C 2.150 0.448 2.361 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c30451_6d2h 1 . 10 . 1685 . 1 1 1 SER CA C 1.270 1.087 3.432 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c30451_6d2h 1 . 10 . 1686 . 1 1 1 SER CB C 1.736 2.514 3.729 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c30451_6d2h 1 . 10 . 1687 . 1 1 1 SER H1 H 0.507 0.454 5.253 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c30451_6d2h 1 . 10 . 1688 . 1 1 1 SER H2 H 2.204 0.534 5.206 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . c30451_6d2h 1 . 10 . 1689 . 1 1 1 SER H3 H 1.384 -0.730 4.421 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . c30451_6d2h 1 . 10 . 1690 . 1 1 1 SER HA H 0.252 1.112 3.085 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c30451_6d2h 1 . 10 . 1691 . 1 1 1 SER HB2 H 1.991 2.606 4.772 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1692 . 1 1 1 SER HB3 H 2.605 2.731 3.130 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1693 . 1 1 1 SER HG H 0.727 4.148 4.070 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c30451_6d2h 1 . 10 . 1694 . 1 1 1 SER N N 1.345 0.277 4.672 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c30451_6d2h 1 . 10 . 1695 . 1 1 1 SER O O 3.280 0.042 2.627 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c30451_6d2h 1 . 10 . 1696 . 1 1 1 SER OG O 0.693 3.434 3.420 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c30451_6d2h 1 . 10 . 1697 . 1 1 2 ARG C C 3.674 0.524 -0.191 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30451_6d2h 1 . 10 . 1698 . 1 1 2 ARG CA C 2.369 -0.228 0.040 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30451_6d2h 1 . 10 . 1699 . 1 1 2 ARG CB C 1.525 -0.180 -1.232 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30451_6d2h 1 . 10 . 1700 . 1 1 2 ARG CD C 1.709 -0.709 -3.660 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30451_6d2h 1 . 10 . 1701 . 1 1 2 ARG CG C 2.067 -1.181 -2.261 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30451_6d2h 1 . 10 . 1702 . 1 1 2 ARG CZ C 3.439 0.886 -4.203 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30451_6d2h 1 . 10 . 1703 . 1 1 2 ARG H H 0.721 0.705 0.987 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30451_6d2h 1 . 10 . 1704 . 1 1 2 ARG HA H 2.588 -1.255 0.275 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30451_6d2h 1 . 10 . 1705 . 1 1 2 ARG HB2 H 0.505 -0.431 -0.991 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1706 . 1 1 2 ARG HB3 H 1.562 0.815 -1.645 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1707 . 1 1 2 ARG HD2 H 2.163 -1.355 -4.398 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 10 . 1708 . 1 1 2 ARG HD3 H 0.635 -0.720 -3.780 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 10 . 1709 . 1 1 2 ARG HE H 1.637 1.391 -3.510 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30451_6d2h 1 . 10 . 1710 . 1 1 2 ARG HG2 H 3.142 -1.257 -2.171 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 10 . 1711 . 1 1 2 ARG HG3 H 1.630 -2.131 -2.089 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 10 . 1712 . 1 1 2 ARG HH11 H 3.316 2.765 -3.606 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 10 . 1713 . 1 1 2 ARG HH12 H 4.831 2.316 -4.325 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 10 . 1714 . 1 1 2 ARG HH21 H 3.795 -0.972 -4.879 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 10 . 1715 . 1 1 2 ARG HH22 H 5.106 0.147 -5.051 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 10 . 1716 . 1 1 2 ARG N N 1.625 0.363 1.143 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30451_6d2h 1 . 10 . 1717 . 1 1 2 ARG NE N 2.202 0.642 -3.810 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30451_6d2h 1 . 10 . 1718 . 1 1 2 ARG NH1 N 3.902 2.078 -4.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 10 . 1719 . 1 1 2 ARG NH2 N 4.171 -0.052 -4.750 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 10 . 1720 . 1 1 2 ARG O O 4.712 -0.080 -0.465 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30451_6d2h 1 . 10 . 1721 . 1 1 3 PHE C C 5.919 2.244 0.663 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30451_6d2h 1 . 10 . 1722 . 1 1 3 PHE CA C 4.795 2.677 -0.275 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30451_6d2h 1 . 10 . 1723 . 1 1 3 PHE CB C 4.452 4.142 -0.020 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30451_6d2h 1 . 10 . 1724 . 1 1 3 PHE CD1 C 6.196 5.111 -1.538 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30451_6d2h 1 . 10 . 1725 . 1 1 3 PHE CD2 C 3.857 5.423 -2.092 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30451_6d2h 1 . 10 . 1726 . 1 1 3 PHE CE1 C 6.561 5.806 -2.689 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30451_6d2h 1 . 10 . 1727 . 1 1 3 PHE CE2 C 4.222 6.124 -3.237 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30451_6d2h 1 . 10 . 1728 . 1 1 3 PHE CG C 4.843 4.922 -1.240 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30451_6d2h 1 . 10 . 1729 . 1 1 3 PHE CZ C 5.573 6.311 -3.537 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30451_6d2h 1 . 10 . 1730 . 1 1 3 PHE H H 2.757 2.272 0.146 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30451_6d2h 1 . 10 . 1731 . 1 1 3 PHE HA H 5.132 2.585 -1.307 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30451_6d2h 1 . 10 . 1732 . 1 1 3 PHE HB2 H 3.392 4.243 0.156 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1733 . 1 1 3 PHE HB3 H 5.001 4.507 0.830 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1734 . 1 1 3 PHE HD1 H 6.956 4.719 -0.878 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30451_6d2h 1 . 10 . 1735 . 1 1 3 PHE HD2 H 2.812 5.273 -1.857 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30451_6d2h 1 . 10 . 1736 . 1 1 3 PHE HE1 H 7.605 5.954 -2.926 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30451_6d2h 1 . 10 . 1737 . 1 1 3 PHE HE2 H 3.461 6.517 -3.897 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30451_6d2h 1 . 10 . 1738 . 1 1 3 PHE HZ H 5.851 6.835 -4.423 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30451_6d2h 1 . 10 . 1739 . 1 1 3 PHE N N 3.613 1.847 -0.075 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30451_6d2h 1 . 10 . 1740 . 1 1 3 PHE O O 7.094 2.305 0.305 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30451_6d2h 1 . 10 . 1741 . 1 1 4 GLU C C 7.376 0.221 2.285 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . c30451_6d2h 1 . 10 . 1742 . 1 1 4 GLU CA C 6.544 1.369 2.837 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . c30451_6d2h 1 . 10 . 1743 . 1 1 4 GLU CB C 5.841 0.927 4.119 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . c30451_6d2h 1 . 10 . 1744 . 1 1 4 GLU CD C 4.277 1.660 5.924 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . c30451_6d2h 1 . 10 . 1745 . 1 1 4 GLU CG C 5.118 2.122 4.746 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . c30451_6d2h 1 . 10 . 1746 . 1 1 4 GLU H H 4.609 1.769 2.105 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . c30451_6d2h 1 . 10 . 1747 . 1 1 4 GLU HA H 7.198 2.197 3.066 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . c30451_6d2h 1 . 10 . 1748 . 1 1 4 GLU HB2 H 5.131 0.147 3.890 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1749 . 1 1 4 GLU HB3 H 6.570 0.551 4.809 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1750 . 1 1 4 GLU HG2 H 5.850 2.844 5.090 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . c30451_6d2h 1 . 10 . 1751 . 1 1 4 GLU HG3 H 4.481 2.584 4.012 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . c30451_6d2h 1 . 10 . 1752 . 1 1 4 GLU N N 5.554 1.804 1.865 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . c30451_6d2h 1 . 10 . 1753 . 1 1 4 GLU O O 8.594 0.203 2.435 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . c30451_6d2h 1 . 10 . 1754 . 1 1 4 GLU OE1 O 3.493 0.746 5.746 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . c30451_6d2h 1 . 10 . 1755 . 1 1 4 GLU OE2 O 4.425 2.222 6.990 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . c30451_6d2h 1 . 10 . 1756 . 1 1 5 LEU C C 8.454 -1.355 0.078 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c30451_6d2h 1 . 10 . 1757 . 1 1 5 LEU CA C 7.414 -1.858 1.057 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c30451_6d2h 1 . 10 . 1758 . 1 1 5 LEU CB C 6.410 -2.756 0.342 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c30451_6d2h 1 . 10 . 1759 . 1 1 5 LEU CD1 C 4.015 -3.295 0.835 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c30451_6d2h 1 . 10 . 1760 . 1 1 5 LEU CD2 C 5.816 -4.826 1.625 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c30451_6d2h 1 . 10 . 1761 . 1 1 5 LEU CG C 5.446 -3.365 1.371 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c30451_6d2h 1 . 10 . 1762 . 1 1 5 LEU H H 5.751 -0.665 1.523 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c30451_6d2h 1 . 10 . 1763 . 1 1 5 LEU HA H 7.899 -2.418 1.839 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c30451_6d2h 1 . 10 . 1764 . 1 1 5 LEU HB2 H 5.856 -2.169 -0.376 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1765 . 1 1 5 LEU HB3 H 6.933 -3.537 -0.166 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1766 . 1 1 5 LEU HD11 H 3.997 -2.699 -0.066 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c30451_6d2h 1 . 10 . 1767 . 1 1 5 LEU HD12 H 3.376 -2.845 1.578 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c30451_6d2h 1 . 10 . 1768 . 1 1 5 LEU HD13 H 3.664 -4.293 0.613 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c30451_6d2h 1 . 10 . 1769 . 1 1 5 LEU HD21 H 5.640 -5.401 0.727 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c30451_6d2h 1 . 10 . 1770 . 1 1 5 LEU HD22 H 5.205 -5.215 2.424 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c30451_6d2h 1 . 10 . 1771 . 1 1 5 LEU HD23 H 6.858 -4.897 1.903 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c30451_6d2h 1 . 10 . 1772 . 1 1 5 LEU HG H 5.508 -2.813 2.298 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c30451_6d2h 1 . 10 . 1773 . 1 1 5 LEU N N 6.718 -0.728 1.630 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c30451_6d2h 1 . 10 . 1774 . 1 1 5 LEU O O 9.567 -1.877 0.001 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c30451_6d2h 1 . 10 . 1775 . 1 1 6 ILE C C 10.099 1.003 -0.843 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30451_6d2h 1 . 10 . 1776 . 1 1 6 ILE CA C 8.983 0.304 -1.597 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30451_6d2h 1 . 10 . 1777 . 1 1 6 ILE CB C 8.216 1.323 -2.450 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30451_6d2h 1 . 10 . 1778 . 1 1 6 ILE CD1 C 7.035 -0.660 -3.410 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30451_6d2h 1 . 10 . 1779 . 1 1 6 ILE CG1 C 6.852 0.751 -2.845 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30451_6d2h 1 . 10 . 1780 . 1 1 6 ILE CG2 C 9.005 1.644 -3.722 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30451_6d2h 1 . 10 . 1781 . 1 1 6 ILE H H 7.194 0.073 -0.514 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30451_6d2h 1 . 10 . 1782 . 1 1 6 ILE HA H 9.401 -0.456 -2.232 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30451_6d2h 1 . 10 . 1783 . 1 1 6 ILE HB H 8.072 2.228 -1.876 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30451_6d2h 1 . 10 . 1784 . 1 1 6 ILE HD11 H 6.082 -1.045 -3.732 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30451_6d2h 1 . 10 . 1785 . 1 1 6 ILE HD12 H 7.443 -1.305 -2.647 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30451_6d2h 1 . 10 . 1786 . 1 1 6 ILE HD13 H 7.712 -0.620 -4.250 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30451_6d2h 1 . 10 . 1787 . 1 1 6 ILE HG12 H 6.208 0.713 -1.977 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30451_6d2h 1 . 10 . 1788 . 1 1 6 ILE HG13 H 6.405 1.384 -3.598 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30451_6d2h 1 . 10 . 1789 . 1 1 6 ILE HG21 H 8.315 1.823 -4.531 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30451_6d2h 1 . 10 . 1790 . 1 1 6 ILE HG22 H 9.646 0.812 -3.972 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30451_6d2h 1 . 10 . 1791 . 1 1 6 ILE HG23 H 9.605 2.528 -3.562 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30451_6d2h 1 . 10 . 1792 . 1 1 6 ILE N N 8.085 -0.308 -0.643 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30451_6d2h 1 . 10 . 1793 . 1 1 6 ILE O O 11.282 0.782 -1.103 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30451_6d2h 1 . 10 . 1794 . 1 1 7 VAL C C 11.560 1.574 1.655 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c30451_6d2h 1 . 10 . 1795 . 1 1 7 VAL CA C 10.676 2.566 0.913 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c30451_6d2h 1 . 10 . 1796 . 1 1 7 VAL CB C 9.954 3.480 1.909 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c30451_6d2h 1 . 10 . 1797 . 1 1 7 VAL CG1 C 10.972 4.381 2.615 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c30451_6d2h 1 . 10 . 1798 . 1 1 7 VAL CG2 C 8.945 4.356 1.159 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c30451_6d2h 1 . 10 . 1799 . 1 1 7 VAL H H 8.745 1.961 0.268 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c30451_6d2h 1 . 10 . 1800 . 1 1 7 VAL HA H 11.295 3.168 0.266 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c30451_6d2h 1 . 10 . 1801 . 1 1 7 VAL HB H 9.435 2.878 2.645 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c30451_6d2h 1 . 10 . 1802 . 1 1 7 VAL HG11 H 11.497 4.978 1.882 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c30451_6d2h 1 . 10 . 1803 . 1 1 7 VAL HG12 H 11.679 3.775 3.159 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c30451_6d2h 1 . 10 . 1804 . 1 1 7 VAL HG13 H 10.453 5.031 3.302 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c30451_6d2h 1 . 10 . 1805 . 1 1 7 VAL HG21 H 8.912 4.060 0.121 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c30451_6d2h 1 . 10 . 1806 . 1 1 7 VAL HG22 H 9.240 5.392 1.228 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c30451_6d2h 1 . 10 . 1807 . 1 1 7 VAL HG23 H 7.964 4.231 1.599 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c30451_6d2h 1 . 10 . 1808 . 1 1 7 VAL N N 9.707 1.840 0.105 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c30451_6d2h 1 . 10 . 1809 . 1 1 7 VAL O O 12.751 1.813 1.848 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c30451_6d2h 1 . 10 . 1810 . 1 1 8 HIS C C 12.969 -0.955 2.002 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c30451_6d2h 1 . 10 . 1811 . 1 1 8 HIS CA C 11.698 -0.587 2.759 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c30451_6d2h 1 . 10 . 1812 . 1 1 8 HIS CB C 10.806 -1.821 2.918 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c30451_6d2h 1 . 10 . 1813 . 1 1 8 HIS CD2 C 10.603 -3.406 5.001 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c30451_6d2h 1 . 10 . 1814 . 1 1 8 HIS CE1 C 12.712 -3.646 5.424 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c30451_6d2h 1 . 10 . 1815 . 1 1 8 HIS CG C 11.283 -2.665 4.067 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c30451_6d2h 1 . 10 . 1816 . 1 1 8 HIS H H 10.013 0.319 1.860 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c30451_6d2h 1 . 10 . 1817 . 1 1 8 HIS HA H 11.967 -0.221 3.739 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c30451_6d2h 1 . 10 . 1818 . 1 1 8 HIS HB2 H 9.794 -1.510 3.110 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1819 . 1 1 8 HIS HB3 H 10.833 -2.398 2.009 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1820 . 1 1 8 HIS HD2 H 9.528 -3.497 5.061 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c30451_6d2h 1 . 10 . 1821 . 1 1 8 HIS HE1 H 13.644 -3.953 5.876 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c30451_6d2h 1 . 10 . 1822 . 1 1 8 HIS HE2 H 11.305 -4.615 6.610 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c30451_6d2h 1 . 10 . 1823 . 1 1 8 HIS N N 10.968 0.453 2.053 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c30451_6d2h 1 . 10 . 1824 . 1 1 8 HIS ND1 N 12.624 -2.833 4.357 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c30451_6d2h 1 . 10 . 1825 . 1 1 8 HIS NE2 N 11.507 -4.027 5.855 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c30451_6d2h 1 . 10 . 1826 . 1 1 8 HIS O O 13.926 -1.457 2.587 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c30451_6d2h 1 . 10 . 1827 . 1 1 9 GLN C C 15.329 -0.090 0.359 . . . 1.0 . . . . . . . . . . . . A . 9 GLN C . . . . . . . . . c30451_6d2h 1 . 10 . 1828 . 1 1 9 GLN CA C 14.181 -0.998 -0.077 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CA . . . . . . . . . c30451_6d2h 1 . 10 . 1829 . 1 1 9 GLN CB C 13.891 -0.828 -1.579 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CB . . . . . . . . . c30451_6d2h 1 . 10 . 1830 . 1 1 9 GLN CD C 13.877 0.758 -3.511 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CD . . . . . . . . . c30451_6d2h 1 . 10 . 1831 . 1 1 9 GLN CG C 14.278 0.581 -2.055 . . . 1.0 . . . . . . . . . . . . A . 9 GLN CG . . . . . . . . . c30451_6d2h 1 . 10 . 1832 . 1 1 9 GLN H H 12.222 -0.277 0.268 . . . 1.0 . . . . . . . . . . . . A . 9 GLN H . . . . . . . . . c30451_6d2h 1 . 10 . 1833 . 1 1 9 GLN HA H 14.458 -2.025 0.110 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HA . . . . . . . . . c30451_6d2h 1 . 10 . 1834 . 1 1 9 GLN HB2 H 14.457 -1.559 -2.136 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1835 . 1 1 9 GLN HB3 H 12.835 -0.985 -1.754 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1836 . 1 1 9 GLN HE21 H 15.581 0.046 -4.228 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE21 . . . . . . . . . c30451_6d2h 1 . 10 . 1837 . 1 1 9 GLN HE22 H 14.445 0.528 -5.395 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HE22 . . . . . . . . . c30451_6d2h 1 . 10 . 1838 . 1 1 9 GLN HG2 H 13.769 1.318 -1.453 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG2 . . . . . . . . . c30451_6d2h 1 . 10 . 1839 . 1 1 9 GLN HG3 H 15.349 0.716 -1.961 . . . 1.0 . . . . . . . . . . . . A . 9 GLN HG3 . . . . . . . . . c30451_6d2h 1 . 10 . 1840 . 1 1 9 GLN N N 12.995 -0.692 0.702 . . . 1.0 . . . . . . . . . . . . A . 9 GLN N . . . . . . . . . c30451_6d2h 1 . 10 . 1841 . 1 1 9 GLN NE2 N 14.703 0.416 -4.455 . . . 1.0 . . . . . . . . . . . . A . 9 GLN NE2 . . . . . . . . . c30451_6d2h 1 . 10 . 1842 . 1 1 9 GLN O O 16.500 -0.414 0.151 . . . 1.0 . . . . . . . . . . . . A . 9 GLN O . . . . . . . . . c30451_6d2h 1 . 10 . 1843 . 1 1 9 GLN OE1 O 12.769 1.209 -3.801 . . . 1.0 . . . . . . . . . . . . A . 9 GLN OE1 . . . . . . . . . c30451_6d2h 1 . 10 . 1844 . 1 1 10 ARG C C 17.045 2.219 0.360 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30451_6d2h 1 . 10 . 1845 . 1 1 10 ARG CA C 15.982 2.006 1.431 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30451_6d2h 1 . 10 . 1846 . 1 1 10 ARG CB C 16.615 1.510 2.735 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30451_6d2h 1 . 10 . 1847 . 1 1 10 ARG CD C 14.772 1.296 4.454 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30451_6d2h 1 . 10 . 1848 . 1 1 10 ARG CG C 15.914 2.180 3.924 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30451_6d2h 1 . 10 . 1849 . 1 1 10 ARG CZ C 15.781 -0.887 4.915 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30451_6d2h 1 . 10 . 1850 . 1 1 10 ARG H H 14.030 1.253 1.115 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30451_6d2h 1 . 10 . 1851 . 1 1 10 ARG HA H 15.494 2.950 1.621 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30451_6d2h 1 . 10 . 1852 . 1 1 10 ARG HB2 H 16.509 0.442 2.801 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30451_6d2h 1 . 10 . 1853 . 1 1 10 ARG HB3 H 17.662 1.767 2.751 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30451_6d2h 1 . 10 . 1854 . 1 1 10 ARG HD2 H 14.694 1.422 5.521 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30451_6d2h 1 . 10 . 1855 . 1 1 10 ARG HD3 H 13.842 1.614 3.998 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30451_6d2h 1 . 10 . 1856 . 1 1 10 ARG HE H 14.535 -0.529 3.384 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30451_6d2h 1 . 10 . 1857 . 1 1 10 ARG HG2 H 16.634 2.358 4.715 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30451_6d2h 1 . 10 . 1858 . 1 1 10 ARG HG3 H 15.501 3.125 3.600 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30451_6d2h 1 . 10 . 1859 . 1 1 10 ARG HH11 H 15.381 -2.575 3.893 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30451_6d2h 1 . 10 . 1860 . 1 1 10 ARG HH12 H 16.477 -2.753 5.226 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30451_6d2h 1 . 10 . 1861 . 1 1 10 ARG HH21 H 16.345 0.626 6.095 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30451_6d2h 1 . 10 . 1862 . 1 1 10 ARG HH22 H 17.017 -0.921 6.489 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30451_6d2h 1 . 10 . 1863 . 1 1 10 ARG N N 14.982 1.049 0.970 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30451_6d2h 1 . 10 . 1864 . 1 1 10 ARG NE N 15.000 -0.120 4.154 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30451_6d2h 1 . 10 . 1865 . 1 1 10 ARG NH1 N 15.889 -2.169 4.659 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30451_6d2h 1 . 10 . 1866 . 1 1 10 ARG NH2 N 16.432 -0.354 5.907 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30451_6d2h 1 . 10 . 1867 . 1 1 10 ARG O O 16.797 2.900 -0.637 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30451_6d2h 1 . 10 . 1868 . 1 1 11 NH2 HN1 H 18.413 1.121 1.282 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . c30451_6d2h 1 . 10 . 1869 . 1 1 11 NH2 HN2 H 18.889 1.784 -0.203 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . c30451_6d2h 1 . 10 . 1870 . 1 1 11 NH2 N N 18.212 1.664 0.490 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . c30451_6d2h 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 c30451_6d2h _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 6d2h.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30451_6d2h 1 1 6d2h.mr . . XPLOR/CNS 2 'dihedral angle' 'Not applicable' 'Not applicable' 16 c30451_6d2h 1 1 6d2h.mr . . XPLOR/CNS 3 distance NOE simple 206 c30451_6d2h 1 1 6d2h.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30451_6d2h 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c30451_6d2h _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30451_6d2h 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 SER H1 H . . . 1 1 2 2 ARG H H . . . . . 5.0 1.8 5.0 . . . . . A . 1 SER H1 . . A . 2 ARG H . . . 1 . HT# . . . . . 2 . HN . . c30451_6d2h 1 2 1 . . 1 1 2 2 ARG H H . . . 1 1 1 1 SER HA H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 1 SER HA . . . 2 . HN . . . . . 1 . HA . . c30451_6d2h 1 3 1 . . 1 1 2 2 ARG H H . . . 1 1 1 1 SER HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 1 SER HB3 . . . 2 . HN . . . . . 1 . HB1 . . c30451_6d2h 1 4 1 . . 1 1 1 1 SER H1 H . . . 1 1 2 2 ARG H H . . . . . 5.0 1.8 5.0 . . . . . A . 1 SER H1 . . A . 2 ARG H . . . 1 . HT# . . . . . 2 . HN . . c30451_6d2h 1 5 1 . . 1 1 2 2 ARG H H . . . 1 1 3 3 PHE H H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 3 PHE H . . . 2 . HN . . . . . 3 . HN . . c30451_6d2h 1 6 1 . . 1 1 2 2 ARG H H . . . 1 1 1 1 SER HA H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 1 SER HA . . . 2 . HN . . . . . 1 . HA . . c30451_6d2h 1 7 1 . . 1 1 2 2 ARG H H . . . 1 1 1 1 SER HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 1 SER HB3 . . . 2 . HN . . . . . 1 . HB1 . . c30451_6d2h 1 8 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 3 3 PHE HA H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 3 PHE HA . . . 2 . HH11 . . . . . 3 . HA . . c30451_6d2h 1 9 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 3 3 PHE HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 3 PHE HB3 . . . 2 . HH11 . . . . . 3 . HB1 . . c30451_6d2h 1 10 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HA H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HA . . . 3 . HN . . . . . 2 . HA . . c30451_6d2h 1 11 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HB3 . . . 3 . HN . . . . . 2 . HB1 . . c30451_6d2h 1 12 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HB2 . . . 3 . HN . . . . . 2 . HB2 . . c30451_6d2h 1 13 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HH11 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HH11 . . . 3 . HN . . . . . 2 . HH11 . . c30451_6d2h 1 14 1 . . 1 1 2 2 ARG H H . . . 1 1 3 3 PHE H H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 3 PHE H . . . 2 . HN . . . . . 3 . HN . . c30451_6d2h 1 15 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 4 4 GLU H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB3 . . A . 4 GLU H . . . 3 . HB1 . . . . . 4 . HN . . c30451_6d2h 1 16 1 . . 1 1 4 4 GLU H H . . . 1 1 3 3 PHE HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU H . . A . 3 PHE HB2 . . . 4 . HN . . . . . 3 . HB2 . . c30451_6d2h 1 17 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 3 3 PHE HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 3 PHE HB3 . . . 2 . HH11 . . . . . 3 . HB1 . . c30451_6d2h 1 18 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 3 3 PHE HA H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 3 PHE HA . . . 2 . HH11 . . . . . 3 . HA . . c30451_6d2h 1 19 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 4 4 GLU H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB3 . . A . 4 GLU H . . . 3 . HB1 . . . . . 4 . HN . . c30451_6d2h 1 20 1 . . 1 1 3 3 PHE HA H . . . 1 1 4 4 GLU H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HA . . A . 4 GLU H . . . 3 . HA . . . . . 4 . HN . . c30451_6d2h 1 21 1 . . 1 1 4 4 GLU H H . . . 1 1 5 5 LEU H H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU H . . A . 5 LEU H . . . 4 . HN . . . . . 5 . HN . . c30451_6d2h 1 22 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 GLU HA H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 4 GLU HA . . . 5 . HN . . . . . 4 . HA . . c30451_6d2h 1 23 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 GLU HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 4 GLU HB3 . . . 5 . HN . . . . . 4 . HB1 . . c30451_6d2h 1 24 1 . . 1 1 4 4 GLU HB3 H . . . 1 1 5 5 LEU HA H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HB3 . . A . 5 LEU HA . . . 4 . HB1 . . . . . 5 . HA . . c30451_6d2h 1 25 1 . . 1 1 4 4 GLU HA H . . . 1 1 5 5 LEU HA H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HA . . A . 5 LEU HA . . . 4 . HA . . . . . 5 . HA . . c30451_6d2h 1 26 1 . . 1 1 4 4 GLU H H . . . 1 1 5 5 LEU H H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU H . . A . 5 LEU H . . . 4 . HN . . . . . 5 . HN . . c30451_6d2h 1 27 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 GLU HA H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 4 GLU HA . . . 5 . HN . . . . . 4 . HA . . c30451_6d2h 1 28 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 GLU HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 4 GLU HB3 . . . 5 . HN . . . . . 4 . HB1 . . c30451_6d2h 1 29 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 ILE HB H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 6 ILE HB . . . 5 . HN . . . . . 6 . HB . . c30451_6d2h 1 30 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 ILE H H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU H . . A . 6 ILE H . . . 5 . HN . . . . . 6 . HN . . c30451_6d2h 1 31 1 . . 1 1 6 6 ILE H H . . . 1 1 5 5 LEU HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE H . . A . 5 LEU HB3 . . . 6 . HN . . . . . 5 . HB1 . . c30451_6d2h 1 32 1 . . 1 1 4 4 GLU HB3 H . . . 1 1 5 5 LEU HA H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HB3 . . A . 5 LEU HA . . . 4 . HB1 . . . . . 5 . HA . . c30451_6d2h 1 33 1 . . 1 1 6 6 ILE H H . . . 1 1 5 5 LEU HG H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE H . . A . 5 LEU HG . . . 6 . HN . . . . . 5 . HG . . c30451_6d2h 1 34 1 . . 1 1 6 6 ILE H H . . . 1 1 5 5 LEU HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE H . . A . 5 LEU HB3 . . . 6 . HN . . . . . 5 . HB1 . . c30451_6d2h 1 35 1 . . 1 1 6 6 ILE H H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE H . . A . 7 VAL MG2 . . . 6 . HN . . . . . 7 . HG2# . . c30451_6d2h 1 36 1 . . 1 1 5 5 LEU HA H . . . 1 1 6 6 ILE H H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 6 ILE H . . . 5 . HA . . . . . 6 . HN . . c30451_6d2h 1 37 1 . . 1 1 6 6 ILE H H . . . 1 1 7 7 VAL H H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE H . . A . 7 VAL H . . . 6 . HN . . . . . 7 . HN . . c30451_6d2h 1 38 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 ILE H H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU H . . A . 6 ILE H . . . 5 . HN . . . . . 6 . HN . . c30451_6d2h 1 39 1 . . 1 1 6 6 ILE HB H . . . 1 1 7 7 VAL H H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE HB . . A . 7 VAL H . . . 6 . HB . . . . . 7 . HN . . c30451_6d2h 1 40 1 . . 1 1 7 7 VAL H H . . . 1 1 6 6 ILE MD H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL H . . A . 6 ILE MD . . . 7 . HN . . . . . 6 . HD1# . . c30451_6d2h 1 41 1 . . 1 1 6 6 ILE H H . . . 1 1 7 7 VAL H H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE H . . A . 7 VAL H . . . 6 . HN . . . . . 7 . HN . . c30451_6d2h 1 42 1 . . 1 1 7 7 VAL H H . . . 1 1 8 8 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL H . . A . 8 HIS H . . . 7 . HN . . . . . 8 . HN . . c30451_6d2h 1 43 1 . . 1 1 7 7 VAL H H . . . 1 1 6 6 ILE HA H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL H . . A . 6 ILE HA . . . 7 . HN . . . . . 6 . HA . . c30451_6d2h 1 44 1 . . 1 1 8 8 HIS H H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS H . . A . 7 VAL MG2 . . . 8 . HN . . . . . 7 . HG2# . . c30451_6d2h 1 45 1 . . 1 1 8 8 HIS H H . . . 1 1 7 7 VAL HB H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS H . . A . 7 VAL HB . . . 8 . HN . . . . . 7 . HB . . c30451_6d2h 1 46 1 . . 1 1 8 8 HIS HD1 H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS HD1 . . A . 7 VAL MG2 . . . 8 . HD1 . . . . . 7 . HG2# . . c30451_6d2h 1 47 1 . . 1 1 8 8 HIS H H . . . 1 1 7 7 VAL HB H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS H . . A . 7 VAL HB . . . 8 . HN . . . . . 7 . HB . . c30451_6d2h 1 48 1 . . 1 1 8 8 HIS H H . . . 1 1 7 7 VAL MG1 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS H . . A . 7 VAL MG1 . . . 8 . HN . . . . . 7 . HG1# . . c30451_6d2h 1 49 1 OR . 1 1 8 8 HIS H H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS H . . A . 7 VAL MG2 . . . 8 . HN . . . . . 7 . HG## . . c30451_6d2h 1 49 2 OR . 1 1 8 8 HIS H H . . . 1 1 7 7 VAL MG1 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS H . . A . 7 VAL MG1 . . . 8 . HN . . . . . 7 . HG## . . c30451_6d2h 1 50 1 . . 1 1 7 7 VAL H H . . . 1 1 8 8 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL H . . A . 8 HIS H . . . 7 . HN . . . . . 8 . HN . . c30451_6d2h 1 51 1 . . 1 1 8 8 HIS HB3 H . . . 1 1 9 9 GLN H H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS HB3 . . A . 9 GLN H . . . 8 . HB1 . . . . . 9 . HN . . c30451_6d2h 1 52 1 . . 1 1 9 9 GLN H H . . . 1 1 8 8 HIS HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 9 GLN H . . A . 8 HIS HB2 . . . 9 . HN . . . . . 8 . HB2 . . c30451_6d2h 1 53 1 . . 1 1 8 8 HIS HD1 H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS HD1 . . A . 7 VAL MG2 . . . 8 . HD1 . . . . . 7 . HG2# . . c30451_6d2h 1 54 1 . . 1 1 9 9 GLN H H . . . 1 1 8 8 HIS HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 9 GLN H . . A . 8 HIS HB2 . . . 9 . HN . . . . . 8 . HB2 . . c30451_6d2h 1 55 1 . . 1 1 8 8 HIS HB3 H . . . 1 1 9 9 GLN H H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS HB3 . . A . 9 GLN H . . . 8 . HB1 . . . . . 9 . HN . . c30451_6d2h 1 56 1 . . 1 1 9 9 GLN H H . . . 1 1 8 8 HIS HA H . . . . . 5.0 1.8 5.0 . . . . . A . 9 GLN H . . A . 8 HIS HA . . . 9 . HN . . . . . 8 . HA . . c30451_6d2h 1 57 1 . . 1 1 9 9 GLN H H . . . 1 1 10 10 ARG H H . . . . . 5.0 1.8 5.0 . . . . . A . 9 GLN H . . A . 10 ARG H . . . 9 . HN . . . . . 10 . HN . . c30451_6d2h 1 58 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 GLN HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 9 GLN HB3 . . . 10 . HN . . . . . 9 . HB1 . . c30451_6d2h 1 59 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 GLN HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 9 GLN HB3 . . . 10 . HN . . . . . 9 . HB1 . . c30451_6d2h 1 60 1 . . 1 1 9 9 GLN H H . . . 1 1 10 10 ARG H H . . . . . 5.0 1.8 5.0 . . . . . A . 9 GLN H . . A . 10 ARG H . . . 9 . HN . . . . . 10 . HN . . c30451_6d2h 1 61 1 OR . 1 1 10 10 ARG H H . . . 1 1 9 9 GLN HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 9 GLN HG2 . . . 10 . HN . . . . . 9 . HG# . . c30451_6d2h 1 61 2 OR . 1 1 10 10 ARG H H . . . 1 1 9 9 GLN HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 9 GLN HG3 . . . 10 . HN . . . . . 9 . HG# . . c30451_6d2h 1 62 1 . . 1 1 1 1 SER H1 H . . . 1 1 1 1 SER HA H . . . . . 3.4 1.8 3.4 . . . . . A . 1 SER H1 . . A . 1 SER HA . . . 1 . HT# . . . . . 1 . HA . . c30451_6d2h 1 63 1 . . 1 1 1 1 SER H1 H . . . 1 1 1 1 SER HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 1 SER H1 . . A . 1 SER HB3 . . . 1 . HT# . . . . . 1 . HB1 . . c30451_6d2h 1 64 1 . . 1 1 1 1 SER H1 H . . . 1 1 1 1 SER HA H . . . . . 3.4 1.8 3.4 . . . . . A . 1 SER H1 . . A . 1 SER HA . . . 1 . HT# . . . . . 1 . HA . . c30451_6d2h 1 65 1 . . 1 1 1 1 SER H1 H . . . 1 1 1 1 SER HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 1 SER H1 . . A . 1 SER HB3 . . . 1 . HT# . . . . . 1 . HB1 . . c30451_6d2h 1 66 1 . . 1 1 1 1 SER HA H . . . 1 1 1 1 SER HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 1 SER HA . . A . 1 SER HB3 . . . 1 . HA . . . . . 1 . HB1 . . c30451_6d2h 1 67 1 . . 1 1 1 1 SER HA H . . . 1 1 1 1 SER HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 1 SER HA . . A . 1 SER HB3 . . . 1 . HA . . . . . 1 . HB1 . . c30451_6d2h 1 68 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG H . . A . 2 ARG HA . . . 2 . HN . . . . . 2 . HA . . c30451_6d2h 1 69 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HB3 . . . 2 . HN . . . . . 2 . HB1 . . c30451_6d2h 1 70 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HB2 . . . 2 . HN . . . . . 2 . HB2 . . c30451_6d2h 1 71 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 2 . HN . . . . . 2 . HG1 . . c30451_6d2h 1 72 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 2 2 ARG HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 2 ARG HG3 . . . 2 . HH11 . . . . . 2 . HG1 . . c30451_6d2h 1 73 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 2 ARG HB2 . . . 2 . HH11 . . . . . 2 . HB2 . . c30451_6d2h 1 74 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 2 2 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 2 ARG HD3 . . . 2 . HH11 . . . . . 2 . HD1 . . c30451_6d2h 1 75 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HD3 . . . 2 . HN . . . . . 2 . HD1 . . c30451_6d2h 1 76 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HA H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG H . . A . 2 ARG HA . . . 2 . HN . . . . . 2 . HA . . c30451_6d2h 1 77 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HB3 . . . 2 . HN . . . . . 2 . HB1 . . c30451_6d2h 1 78 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HB2 . . . 2 . HN . . . . . 2 . HB2 . . c30451_6d2h 1 79 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HD3 . . . 2 . HN . . . . . 2 . HD1 . . c30451_6d2h 1 80 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 2 . HN . . . . . 2 . HG1 . . c30451_6d2h 1 81 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HG2 . . . 2 . HN . . . . . 2 . HG2 . . c30451_6d2h 1 82 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HA . . A . 2 ARG HB2 . . . 2 . HA . . . . . 2 . HB2 . . c30451_6d2h 1 83 1 . . 1 1 2 2 ARG HB2 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB2 . . A . 2 ARG HD3 . . . 2 . HB2 . . . . . 2 . HD1 . . c30451_6d2h 1 84 1 . . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HD3 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD3 . . . 2 . HG1 . . . . . 2 . HD1 . . c30451_6d2h 1 85 1 . . 1 1 2 2 ARG HD3 H . . . 1 1 2 2 ARG HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HD3 . . A . 2 ARG HG2 . . . 2 . HD1 . . . . . 2 . HG2 . . c30451_6d2h 1 86 1 . . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD3 . . . 2 . HB1 . . . . . 2 . HD1 . . c30451_6d2h 1 87 1 . . 1 1 2 2 ARG HH11 H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HH11 . . A . 2 ARG HB3 . . . 2 . HH11 . . . . . 2 . HB1 . . c30451_6d2h 1 88 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HA . . A . 2 ARG HB3 . . . 2 . HA . . . . . 2 . HB1 . . c30451_6d2h 1 89 1 . . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD3 . . . 2 . HB1 . . . . . 2 . HD1 . . c30451_6d2h 1 90 1 . . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HB3 . . A . 2 ARG HG3 . . . 2 . HB1 . . . . . 2 . HG1 . . c30451_6d2h 1 91 1 . . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HB3 . . A . 2 ARG HG2 . . . 2 . HB1 . . . . . 2 . HG2 . . c30451_6d2h 1 92 1 . . 1 1 2 2 ARG HB2 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB2 . . A . 2 ARG HD3 . . . 2 . HB2 . . . . . 2 . HD1 . . c30451_6d2h 1 93 1 . . 1 1 2 2 ARG HB2 H . . . 1 1 2 2 ARG HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HB2 . . A . 2 ARG HG2 . . . 2 . HB2 . . . . . 2 . HG2 . . c30451_6d2h 1 94 1 . . 1 1 2 2 ARG HB2 H . . . 1 1 2 2 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HB2 . . A . 2 ARG HG3 . . . 2 . HB2 . . . . . 2 . HG1 . . c30451_6d2h 1 95 1 . . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HD3 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD3 . . . 2 . HG1 . . . . . 2 . HD1 . . c30451_6d2h 1 96 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HA . . A . 2 ARG HB2 . . . 2 . HA . . . . . 2 . HB2 . . c30451_6d2h 1 97 1 . . 1 1 2 2 ARG HD3 H . . . 1 1 2 2 ARG HE H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD3 . . A . 2 ARG HE . . . 2 . HD1 . . . . . 2 . HE . . c30451_6d2h 1 98 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HA H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE H . . A . 3 PHE HA . . . 3 . HN . . . . . 3 . HA . . c30451_6d2h 1 99 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE H . . A . 3 PHE HB3 . . . 3 . HN . . . . . 3 . HB1 . . c30451_6d2h 1 100 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 3 PHE HB2 . . . 3 . HN . . . . . 3 . HB2 . . c30451_6d2h 1 101 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 3 PHE HB3 . . . 3 . HN . . . . . 3 . HB1 . . c30451_6d2h 1 102 1 . . 1 1 3 3 PHE HA H . . . 1 1 3 3 PHE HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE HA . . A . 3 PHE HB3 . . . 3 . HA . . . . . 3 . HB1 . . c30451_6d2h 1 103 1 . . 1 1 3 3 PHE HA H . . . 1 1 3 3 PHE HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE HA . . A . 3 PHE HB2 . . . 3 . HA . . . . . 3 . HB2 . . c30451_6d2h 1 104 1 . . 1 1 3 3 PHE HA H . . . 1 1 3 3 PHE HE1 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HA . . A . 3 PHE HE1 . . . 3 . HA . . . . . 3 . HE1 . . c30451_6d2h 1 105 1 . . 1 1 3 3 PHE HA H . . . 1 1 3 3 PHE HZ H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HA . . A . 3 PHE HZ . . . 3 . HA . . . . . 3 . HZ . . c30451_6d2h 1 106 1 . . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HA H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU H . . A . 4 GLU HA . . . 4 . HN . . . . . 4 . HA . . c30451_6d2h 1 107 1 . . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU H . . A . 4 GLU HB3 . . . 4 . HN . . . . . 4 . HB1 . . c30451_6d2h 1 108 1 OR . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU H . . A . 4 GLU HG2 . . . 4 . HN . . . . . 4 . HG# . . c30451_6d2h 1 108 2 OR . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU H . . A . 4 GLU HG3 . . . 4 . HN . . . . . 4 . HG# . . c30451_6d2h 1 109 1 . . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HA H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU H . . A . 4 GLU HA . . . 4 . HN . . . . . 4 . HA . . c30451_6d2h 1 110 1 . . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU H . . A . 4 GLU HB3 . . . 4 . HN . . . . . 4 . HB1 . . c30451_6d2h 1 111 1 OR . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU HA . . A . 4 GLU HG2 . . . 4 . HA . . . . . 4 . HG# . . c30451_6d2h 1 111 2 OR . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU HA . . A . 4 GLU HG3 . . . 4 . HA . . . . . 4 . HG# . . c30451_6d2h 1 112 1 . . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 GLU HA . . A . 4 GLU HB3 . . . 4 . HA . . . . . 4 . HB1 . . c30451_6d2h 1 113 1 OR . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU HA . . A . 4 GLU HG2 . . . 4 . HA . . . . . 4 . HG# . . c30451_6d2h 1 113 2 OR . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU HA . . A . 4 GLU HG3 . . . 4 . HA . . . . . 4 . HG# . . c30451_6d2h 1 114 1 OR . 1 1 4 4 GLU HB3 H . . . 1 1 4 4 GLU HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU HB3 . . A . 4 GLU HG2 . . . 4 . HB1 . . . . . 4 . HG# . . c30451_6d2h 1 114 2 OR . 1 1 4 4 GLU HB3 H . . . 1 1 4 4 GLU HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 GLU HB3 . . A . 4 GLU HG3 . . . 4 . HB1 . . . . . 4 . HG# . . c30451_6d2h 1 115 1 . . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 GLU HA . . A . 4 GLU HB3 . . . 4 . HA . . . . . 4 . HB1 . . c30451_6d2h 1 116 1 OR . 1 1 4 4 GLU HB3 H . . . 1 1 4 4 GLU HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 GLU HB3 . . A . 4 GLU HG2 . . . 4 . HB1 . . . . . 4 . HG# . . c30451_6d2h 1 116 2 OR . 1 1 4 4 GLU HB3 H . . . 1 1 4 4 GLU HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 GLU HB3 . . A . 4 GLU HG3 . . . 4 . HB1 . . . . . 4 . HG# . . c30451_6d2h 1 117 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 LEU H . . A . 5 LEU HA . . . 5 . HN . . . . . 5 . HA . . c30451_6d2h 1 118 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HG H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 5 LEU HG . . . 5 . HN . . . . . 5 . HG . . c30451_6d2h 1 119 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU H . . A . 5 LEU HB3 . . . 5 . HN . . . . . 5 . HB1 . . c30451_6d2h 1 120 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD1 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU H . . A . 5 LEU MD1 . . . 5 . HN . . . . . 5 . HD1# . . c30451_6d2h 1 121 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 LEU H . . A . 5 LEU HA . . . 5 . HN . . . . . 5 . HA . . c30451_6d2h 1 122 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 5 LEU HB2 . . . 5 . HN . . . . . 5 . HB2 . . c30451_6d2h 1 123 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU H . . A . 5 LEU HB3 . . . 5 . HN . . . . . 5 . HB1 . . c30451_6d2h 1 124 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD1 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 5 LEU MD1 . . . 5 . HN . . . . . 5 . HD1# . . c30451_6d2h 1 125 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU HA . . A . 5 LEU HB2 . . . 5 . HA . . . . . 5 . HB2 . . c30451_6d2h 1 126 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 LEU HA . . A . 5 LEU HB3 . . . 5 . HA . . . . . 5 . HB1 . . c30451_6d2h 1 127 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 5 LEU MD2 . . . 5 . HA . . . . . 5 . HD2# . . c30451_6d2h 1 128 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD1 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 5 LEU MD1 . . . 5 . HA . . . . . 5 . HD1# . . c30451_6d2h 1 129 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU HA . . A . 5 LEU HB2 . . . 5 . HA . . . . . 5 . HB2 . . c30451_6d2h 1 130 1 . . 1 1 5 5 LEU HB2 H . . . 1 1 5 5 LEU MD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HB2 . . A . 5 LEU MD2 . . . 5 . HB2 . . . . . 5 . HD2# . . c30451_6d2h 1 131 1 . . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HB3 . . A . 5 LEU MD2 . . . 5 . HB1 . . . . . 5 . HD2# . . c30451_6d2h 1 132 1 . . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD1 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 LEU HB3 . . A . 5 LEU MD1 . . . 5 . HB1 . . . . . 5 . HD1# . . c30451_6d2h 1 133 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD1 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 5 LEU MD1 . . . 5 . HA . . . . . 5 . HD1# . . c30451_6d2h 1 134 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ILE H . . A . 6 ILE HA . . . 6 . HN . . . . . 6 . HA . . c30451_6d2h 1 135 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE H H . . . . . 3.4 1.8 3.4 . . . . . A . 6 ILE HB . . A . 6 ILE H . . . 6 . HB . . . . . 6 . HN . . c30451_6d2h 1 136 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE MD H . . . . . 3.4 1.8 3.4 . . . . . A . 6 ILE H . . A . 6 ILE MD . . . 6 . HN . . . . . 6 . HD1# . . c30451_6d2h 1 137 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HG13 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE H . . A . 6 ILE HG13 . . . 6 . HN . . . . . 6 . HG11 . . c30451_6d2h 1 138 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ILE H . . A . 6 ILE HA . . . 6 . HN . . . . . 6 . HA . . c30451_6d2h 1 139 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE H H . . . . . 3.4 1.8 3.4 . . . . . A . 6 ILE HB . . A . 6 ILE H . . . 6 . HB . . . . . 6 . HN . . c30451_6d2h 1 140 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE MD H . . . . . 3.4 1.8 3.4 . . . . . A . 6 ILE H . . A . 6 ILE MD . . . 6 . HN . . . . . 6 . HD1# . . c30451_6d2h 1 141 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE HA H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE HB . . A . 6 ILE HA . . . 6 . HB . . . . . 6 . HA . . c30451_6d2h 1 142 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ILE MD . . A . 6 ILE HA . . . 6 . HD1# . . . . . 6 . HA . . c30451_6d2h 1 143 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE HA H . . . . . 3.4 1.8 3.4 . . . . . A . 6 ILE HB . . A . 6 ILE HA . . . 6 . HB . . . . . 6 . HA . . c30451_6d2h 1 144 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ILE MD . . A . 6 ILE HA . . . 6 . HD1# . . . . . 6 . HA . . c30451_6d2h 1 145 1 . . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE HG12 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE HA . . A . 6 ILE HG12 . . . 6 . HA . . . . . 6 . HG12 . . c30451_6d2h 1 146 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE HG12 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ILE HB . . A . 6 ILE HG12 . . . 6 . HB . . . . . 6 . HG12 . . c30451_6d2h 1 147 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HA H . . . . . 3.4 1.8 3.4 . . . . . A . 7 VAL H . . A . 7 VAL HA . . . 7 . HN . . . . . 7 . HA . . c30451_6d2h 1 148 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HB H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL H . . A . 7 VAL HB . . . 7 . HN . . . . . 7 . HB . . c30451_6d2h 1 149 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 7 VAL H . . A . 7 VAL MG2 . . . 7 . HN . . . . . 7 . HG2# . . c30451_6d2h 1 150 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HA H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL H . . A . 7 VAL HA . . . 7 . HN . . . . . 7 . HA . . c30451_6d2h 1 151 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL H . . A . 7 VAL MG2 . . . 7 . HN . . . . . 7 . HG2# . . c30451_6d2h 1 152 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 7 7 VAL HA H . . . . . 3.4 1.8 3.4 . . . . . A . 7 VAL MG1 . . A . 7 VAL HA . . . 7 . HG1# . . . . . 7 . HA . . c30451_6d2h 1 153 1 . . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 7 VAL HA . . A . 7 VAL MG2 . . . 7 . HA . . . . . 7 . HG2# . . c30451_6d2h 1 154 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 8 HIS H . . A . 8 HIS HA . . . 8 . HN . . . . . 8 . HA . . c30451_6d2h 1 155 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 HIS H . . A . 8 HIS HB3 . . . 8 . HN . . . . . 8 . HB1 . . c30451_6d2h 1 156 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 8 HIS H . . A . 8 HIS HB2 . . . 8 . HN . . . . . 8 . HB2 . . c30451_6d2h 1 157 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 8 HIS H . . A . 8 HIS HB3 . . . 8 . HN . . . . . 8 . HB1 . . c30451_6d2h 1 158 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 8 HIS H . . A . 8 HIS HB2 . . . 8 . HN . . . . . 8 . HB2 . . c30451_6d2h 1 159 1 . . 1 1 8 8 HIS HB3 H . . . 1 1 8 8 HIS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS HB3 . . A . 8 HIS HD2 . . . 8 . HB1 . . . . . 8 . HD2 . . c30451_6d2h 1 160 1 . . 1 1 8 8 HIS HB2 H . . . 1 1 8 8 HIS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS HB2 . . A . 8 HIS HD2 . . . 8 . HB2 . . . . . 8 . HD2 . . c30451_6d2h 1 161 1 . . 1 1 8 8 HIS HD1 H . . . 1 1 8 8 HIS HA H . . . . . 5.0 1.8 5.0 . . . . . A . 8 HIS HD1 . . A . 8 HIS HA . . . 8 . HD1 . . . . . 8 . HA . . c30451_6d2h 1 162 1 . . 1 1 8 8 HIS HB3 H . . . 1 1 8 8 HIS HA H . . . . . 3.4 1.8 3.4 . . . . . A . 8 HIS HB3 . . A . 8 HIS HA . . . 8 . HB1 . . . . . 8 . HA . . c30451_6d2h 1 163 1 . . 1 1 8 8 HIS HB2 H . . . 1 1 8 8 HIS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 8 HIS HB2 . . A . 8 HIS HA . . . 8 . HB2 . . . . . 8 . HA . . c30451_6d2h 1 164 1 . . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 GLN H . . A . 9 GLN HA . . . 9 . HN . . . . . 9 . HA . . c30451_6d2h 1 165 1 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN H . . A . 9 GLN HG2 . . . 9 . HN . . . . . 9 . HG# . . c30451_6d2h 1 165 2 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN H . . A . 9 GLN HG3 . . . 9 . HN . . . . . 9 . HG# . . c30451_6d2h 1 166 1 . . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 GLN H . . A . 9 GLN HB3 . . . 9 . HN . . . . . 9 . HB1 . . c30451_6d2h 1 167 1 . . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 9 GLN H . . A . 9 GLN HB2 . . . 9 . HN . . . . . 9 . HB2 . . c30451_6d2h 1 168 1 . . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 GLN H . . A . 9 GLN HA . . . 9 . HN . . . . . 9 . HA . . c30451_6d2h 1 169 1 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN H . . A . 9 GLN HG2 . . . 9 . HN . . . . . 9 . HG# . . c30451_6d2h 1 169 2 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN H . . A . 9 GLN HG3 . . . 9 . HN . . . . . 9 . HG# . . c30451_6d2h 1 170 1 . . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN H . . A . 9 GLN HB3 . . . 9 . HN . . . . . 9 . HB1 . . c30451_6d2h 1 171 1 . . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 GLN HB3 . . A . 9 GLN HA . . . 9 . HB1 . . . . . 9 . HA . . c30451_6d2h 1 172 1 OR . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN HB3 . . A . 9 GLN HG2 . . . 9 . HB1 . . . . . 9 . HG# . . c30451_6d2h 1 172 2 OR . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN HB3 . . A . 9 GLN HG3 . . . 9 . HB1 . . . . . 9 . HG# . . c30451_6d2h 1 173 1 . . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HA H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN HB3 . . A . 9 GLN HA . . . 9 . HB1 . . . . . 9 . HA . . c30451_6d2h 1 174 1 OR . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN HB3 . . A . 9 GLN HG2 . . . 9 . HB1 . . . . . 9 . HG# . . c30451_6d2h 1 174 2 OR . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 9 GLN HB3 . . A . 9 GLN HG3 . . . 9 . HB1 . . . . . 9 . HG# . . c30451_6d2h 1 175 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ARG H . . A . 10 ARG HA . . . 10 . HN . . . . . 10 . HA . . c30451_6d2h 1 176 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 10 ARG HD3 . . . 10 . HN . . . . . 10 . HD1 . . c30451_6d2h 1 177 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 10 ARG HB3 . . . 10 . HN . . . . . 10 . HB1 . . c30451_6d2h 1 178 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG H . . A . 10 ARG HG3 . . . 10 . HN . . . . . 10 . HG1 . . c30451_6d2h 1 179 1 . . 1 1 10 10 ARG HB3 H . . . 1 1 10 10 ARG HE H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG HB3 . . A . 10 ARG HE . . . 10 . HB1 . . . . . 10 . HE . . c30451_6d2h 1 180 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG H . . A . 10 ARG HB2 . . . 10 . HN . . . . . 10 . HB2 . . c30451_6d2h 1 181 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HA H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG H . . A . 10 ARG HA . . . 10 . HN . . . . . 10 . HA . . c30451_6d2h 1 182 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG H . . A . 10 ARG HG3 . . . 10 . HN . . . . . 10 . HG1 . . c30451_6d2h 1 183 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 10 ARG HB3 . . . 10 . HN . . . . . 10 . HB1 . . c30451_6d2h 1 184 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HD3 H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG HA . . A . 10 ARG HD3 . . . 10 . HA . . . . . 10 . HD1 . . c30451_6d2h 1 185 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ARG HA . . A . 10 ARG HB3 . . . 10 . HA . . . . . 10 . HB1 . . c30451_6d2h 1 186 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG HA . . A . 10 ARG HG3 . . . 10 . HA . . . . . 10 . HG1 . . c30451_6d2h 1 187 1 . . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ARG HD3 . . A . 10 ARG HG3 . . . 10 . HD1 . . . . . 10 . HG1 . . c30451_6d2h 1 188 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG HA . . A . 10 ARG HG3 . . . 10 . HA . . . . . 10 . HG1 . . c30451_6d2h 1 189 1 . . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ARG HD3 . . A . 10 ARG HG3 . . . 10 . HD1 . . . . . 10 . HG1 . . c30451_6d2h 1 190 1 . . 1 1 10 10 ARG HB3 H . . . 1 1 10 10 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 10 ARG HB3 . . A . 10 ARG HG3 . . . 10 . HB1 . . . . . 10 . HG1 . . c30451_6d2h 1 191 1 . . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HE H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ARG HD3 . . A . 10 ARG HE . . . 10 . HD1 . . . . . 10 . HE . . c30451_6d2h 1 192 1 . . 1 1 1 1 SER HA H . . . 1 1 4 4 GLU H H . . . . . 5.0 1.8 5.0 . . . . . A . 1 SER HA . . A . 4 GLU H . . . 1 . HA . . . . . 4 . HN . . c30451_6d2h 1 193 1 . . 1 1 1 1 SER HA H . . . 1 1 3 3 PHE H H . . . . . 5.0 1.8 5.0 . . . . . A . 1 SER HA . . A . 3 PHE H . . . 1 . HA . . . . . 3 . HN . . c30451_6d2h 1 194 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL H H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HA . . A . 7 VAL H . . . 4 . HA . . . . . 7 . HN . . c30451_6d2h 1 195 1 . . 1 1 4 4 GLU HA H . . . 1 1 6 6 ILE HB H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HA . . A . 6 ILE HB . . . 4 . HA . . . . . 6 . HB . . c30451_6d2h 1 196 1 . . 1 1 1 1 SER HA H . . . 1 1 4 4 GLU H H . . . . . 5.0 1.8 5.0 . . . . . A . 1 SER HA . . A . 4 GLU H . . . 1 . HA . . . . . 4 . HN . . c30451_6d2h 1 197 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL MG1 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HA . . A . 7 VAL MG1 . . . 4 . HA . . . . . 7 . HG1# . . c30451_6d2h 1 198 1 . . 1 1 5 5 LEU HA H . . . 1 1 8 8 HIS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 8 HIS HB3 . . . 5 . HA . . . . . 8 . HB1 . . c30451_6d2h 1 199 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 GLN HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE HA . . A . 9 GLN HB3 . . . 6 . HA . . . . . 9 . HB1 . . c30451_6d2h 1 200 1 . . 1 1 4 4 GLU HA H . . . 1 1 6 6 ILE HB H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HA . . A . 6 ILE HB . . . 4 . HA . . . . . 6 . HB . . c30451_6d2h 1 201 1 . . 1 1 5 5 LEU HA H . . . 1 1 7 7 VAL H H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 7 VAL H . . . 5 . HA . . . . . 7 . HN . . c30451_6d2h 1 202 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL MG1 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HA . . A . 7 VAL MG1 . . . 4 . HA . . . . . 7 . HG1# . . c30451_6d2h 1 203 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL H H . . . . . 5.0 1.8 5.0 . . . . . A . 4 GLU HA . . A . 7 VAL H . . . 4 . HA . . . . . 7 . HN . . c30451_6d2h 1 204 1 . . 1 1 5 5 LEU HA H . . . 1 1 8 8 HIS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 8 HIS HB3 . . . 5 . HA . . . . . 8 . HB1 . . c30451_6d2h 1 205 1 . . 1 1 5 5 LEU HA H . . . 1 1 8 8 HIS HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 LEU HA . . A . 8 HIS HB2 . . . 5 . HA . . . . . 8 . HB2 . . c30451_6d2h 1 206 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 GLN HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 ILE HA . . A . 9 GLN HB3 . . . 6 . HA . . . . . 9 . HB1 . . c30451_6d2h 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; On my watch it's Wed Jul 15 15:12:17 2015. SQ ; 2 1 3 4 c30451_6d2h 1 2 "On my watch it's Wed Jul 15 15:12:17 2015." 126 1 127 2 c30451_6d2h 1 3 ; On my watch it's Wed Jul 15 15:12:17 2015. MR ; 388 1 389 4 c30451_6d2h 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# Restraints file 2: cmp1_mod_SQ_IR_MR.tbl' 1 1 1 42 c30451_6d2h 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c30451_6d2h _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c30451_6d2h 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 1 1 SER C C . . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . -70.360 -58.998 . . . A . 1 SER C . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . c30451_6d2h 1 2 . . 1 1 2 2 ARG C C . . 1 1 3 3 PHE N N . . 1 1 3 3 PHE CA C . . 1 1 3 3 PHE C C . -70.530 -58.252 . . . A . 2 ARG C . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . c30451_6d2h 1 3 . . 1 1 3 3 PHE C C . . 1 1 4 4 GLU N N . . 1 1 4 4 GLU CA C . . 1 1 4 4 GLU C C . -72.218 -59.334 . . . A . 3 PHE C . . A . 4 GLU N . . A . 4 GLU CA . . A . 4 GLU C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . c30451_6d2h 1 4 . . 1 1 4 4 GLU C C . . 1 1 5 5 LEU N N . . 1 1 5 5 LEU CA C . . 1 1 5 5 LEU C C . -67.125 -59.575 . . . A . 4 GLU C . . A . 5 LEU N . . A . 5 LEU CA . . A . 5 LEU C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . c30451_6d2h 1 5 . . 1 1 5 5 LEU C C . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . -90.219 -55.979 . . . A . 5 LEU C . . A . 6 ILE N . . A . 6 ILE CA . . A . 6 ILE C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . c30451_6d2h 1 6 . . 1 1 6 6 ILE C C . . 1 1 7 7 VAL N N . . 1 1 7 7 VAL CA C . . 1 1 7 7 VAL C C . -74.117 -59.493 . . . A . 6 ILE C . . A . 7 VAL N . . A . 7 VAL CA . . A . 7 VAL C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c30451_6d2h 1 7 . . 1 1 7 7 VAL C C . . 1 1 8 8 HIS N N . . 1 1 8 8 HIS CA C . . 1 1 8 8 HIS C C . -79.128 -51.218 . . . A . 7 VAL C . . A . 8 HIS N . . A . 8 HIS CA . . A . 8 HIS C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . c30451_6d2h 1 8 . . 1 1 8 8 HIS C C . . 1 1 9 9 GLN N N . . 1 1 9 9 GLN CA C . . 1 1 9 9 GLN C C . -80.579 -53.647 . . . A . 8 HIS C . . A . 9 GLN N . . A . 9 GLN CA . . A . 9 GLN C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . c30451_6d2h 1 9 . . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . . 1 1 3 3 PHE N N . -50.635 -19.467 . . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . A . 3 PHE N . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . . . . 3 . N . . c30451_6d2h 1 10 . . 1 1 3 3 PHE N N . . 1 1 3 3 PHE CA C . . 1 1 3 3 PHE C C . . 1 1 4 4 GLU N N . -43.373 -29.995 . . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE C . . A . 4 GLU N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . c30451_6d2h 1 11 . . 1 1 4 4 GLU N N . . 1 1 4 4 GLU CA C . . 1 1 4 4 GLU C C . . 1 1 5 5 LEU N N . -45.024 -32.116 . . . A . 4 GLU N . . A . 4 GLU CA . . A . 4 GLU C . . A . 5 LEU N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . c30451_6d2h 1 12 . . 1 1 5 5 LEU N N . . 1 1 5 5 LEU CA C . . 1 1 5 5 LEU C C . . 1 1 6 6 ILE N N . -49.964 -30.742 . . . A . 5 LEU N . . A . 5 LEU CA . . A . 5 LEU C . . A . 6 ILE N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . c30451_6d2h 1 13 . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . . 1 1 7 7 VAL N N . -51.565 -36.053 . . . A . 6 ILE N . . A . 6 ILE CA . . A . 6 ILE C . . A . 7 VAL N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . c30451_6d2h 1 14 . . 1 1 7 7 VAL N N . . 1 1 7 7 VAL CA C . . 1 1 7 7 VAL C C . . 1 1 8 8 HIS N N . -45.342 -23.014 . . . A . 7 VAL N . . A . 7 VAL CA . . A . 7 VAL C . . A . 8 HIS N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . c30451_6d2h 1 15 . . 1 1 8 8 HIS N N . . 1 1 8 8 HIS CA C . . 1 1 8 8 HIS C C . . 1 1 9 9 GLN N N . -55.612 -8.378 . . . A . 8 HIS N . . A . 8 HIS CA . . A . 8 HIS C . . A . 9 GLN N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . c30451_6d2h 1 16 . . 1 1 9 9 GLN N N . . 1 1 9 9 GLN CA C . . 1 1 9 9 GLN C C . . 1 1 10 10 ARG N N . -46.808 -16.786 . . . A . 9 GLN N . . A . 9 GLN CA . . A . 9 GLN C . . A . 10 ARG N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . c30451_6d2h 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; PHI MONOMER A ; 2 1 3 11 c30451_6d2h 1 2 ; PSi MONOMER A ; 20 1 22 11 c30451_6d2h 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 '# Restraints file 1: phiepsi.tbl' 1 1 1 32 c30451_6d2h 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 c30451_6d2h _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 ANTIFUNGAL PROTEIN 13-APR-18 6D2H *TITLE THREE-DIMENSIONAL STRUCTURES OF [PHE3]CM-P1 ANALOGS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SER-ARG-PHE-GLU-LEU-ILE-VAL-HIS-GLN-ARG-NH2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS SDS MICELLES, ANTIFUNGAL PEPTIDE, ANTIFUNGAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR E.S.F.ALVES,L.M.LIAO *REVDAT 1 17-APR-19 6D2H 0' save_