data_4397 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4397 _Entry.Title ; Solution Structure of the CX3C Chemokine Domain of Fractalkine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-09-09 _Entry.Accession_date 1999-09-09 _Entry.Last_release_date 1999-09-09 _Entry.Original_release_date 1999-09-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 T. Handel . M. . . 4397 2 L. Mizoue . S. . . 4397 3 J. Bazan . F. . . 4397 4 E. Johnson . C. . . 4397 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4397 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 4397 '15N chemical shifts' 91 4397 '1H chemical shifts' 514 4397 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 . . 1999-11-21 . original BMRB . 4397 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4397 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99129937 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Mizoue, L. S., Bazan, J. F., Johnson, E. C., and Handel, T. M., "Solution Structure and Dynamics of the CX3C Chemokine Domain of Fractalkine and Its Interaction with an N-Terminal Fragment of CX3CR1," Biochemistry 38, 1402-1414 (1999). ; _Citation.Title ; Solution Structure and Dynamics of the CX3C Chemokine Domain of Fractalkine and Its Interaction with an N-Terminal Fragment of CX3CR1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 38 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 1402 _Citation.Page_last 1414 _Citation.Year 1999 _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 L. Mizoue . S. . . 4397 1 2 J. Bazan . F. . . 4397 1 3 E. Johnson . C. . . 4397 1 4 T. Handel . M. . . 4397 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chemokine 4397 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_fractalkine _Assembly.Sf_category assembly _Assembly.Sf_framecode system_fractalkine _Assembly.Entry_ID 4397 _Assembly.ID 1 _Assembly.Name fractalkine _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 'fully oxidized' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4397 1 stop_ 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 fractalkine 1 $fractalkine . . . native . . . . . 4397 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 35 35 SG . . . . . . . . . . . . 4397 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . . . 4397 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 9 9 HG . . . . 4397 1 2 . 1 1 CYS 13 13 HG . . . . 4397 1 3 . 1 1 CYS 35 35 HG . . . . 4397 1 4 . 1 1 CYS 51 51 HG . . . . 4397 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1B2T . 'A Chain A, Solution Structure Of The Cx3c Chemokine Domain Of Fractalkine' . . . . 4397 1 yes PDB 1F2L . 'A Chain A, Crystal Structure Of Chemokine Domain Of Fractalkine' . . . . 4397 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID FKN abbreviation 4397 1 fractalkine system 4397 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_fractalkine _Entity.Sf_category entity _Entity.Sf_framecode fractalkine _Entity.Entry_ID 4397 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name fractalkine _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQHHGVTKCNITCSKMTSKI PVALLIHYQQNQASCGKRAI ILETRQHRLFCADPKEQWVK DAMQHLDRQAAALTRNG ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully oxidized' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FKN abbreviation 4397 1 fractalkine common 4397 1 none variant 4397 1 stop_ 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 . MET . 4397 1 2 . GLN . 4397 1 3 . HIS . 4397 1 4 . HIS . 4397 1 5 . GLY . 4397 1 6 . VAL . 4397 1 7 . THR . 4397 1 8 . LYS . 4397 1 9 . CYS . 4397 1 10 . ASN . 4397 1 11 . ILE . 4397 1 12 . THR . 4397 1 13 . CYS . 4397 1 14 . SER . 4397 1 15 . LYS . 4397 1 16 . MET . 4397 1 17 . THR . 4397 1 18 . SER . 4397 1 19 . LYS . 4397 1 20 . ILE . 4397 1 21 . PRO . 4397 1 22 . VAL . 4397 1 23 . ALA . 4397 1 24 . LEU . 4397 1 25 . LEU . 4397 1 26 . ILE . 4397 1 27 . HIS . 4397 1 28 . TYR . 4397 1 29 . GLN . 4397 1 30 . GLN . 4397 1 31 . ASN . 4397 1 32 . GLN . 4397 1 33 . ALA . 4397 1 34 . SER . 4397 1 35 . CYS . 4397 1 36 . GLY . 4397 1 37 . LYS . 4397 1 38 . ARG . 4397 1 39 . ALA . 4397 1 40 . ILE . 4397 1 41 . ILE . 4397 1 42 . LEU . 4397 1 43 . GLU . 4397 1 44 . THR . 4397 1 45 . ARG . 4397 1 46 . GLN . 4397 1 47 . HIS . 4397 1 48 . ARG . 4397 1 49 . LEU . 4397 1 50 . PHE . 4397 1 51 . CYS . 4397 1 52 . ALA . 4397 1 53 . ASP . 4397 1 54 . PRO . 4397 1 55 . LYS . 4397 1 56 . GLU . 4397 1 57 . GLN . 4397 1 58 . TRP . 4397 1 59 . VAL . 4397 1 60 . LYS . 4397 1 61 . ASP . 4397 1 62 . ALA . 4397 1 63 . MET . 4397 1 64 . GLN . 4397 1 65 . HIS . 4397 1 66 . LEU . 4397 1 67 . ASP . 4397 1 68 . ARG . 4397 1 69 . GLN . 4397 1 70 . ALA . 4397 1 71 . ALA . 4397 1 72 . ALA . 4397 1 73 . LEU . 4397 1 74 . THR . 4397 1 75 . ARG . 4397 1 76 . ASN . 4397 1 77 . GLY . 4397 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 . MET 1 1 4397 1 . GLN 2 2 4397 1 . HIS 3 3 4397 1 . HIS 4 4 4397 1 . GLY 5 5 4397 1 . VAL 6 6 4397 1 . THR 7 7 4397 1 . LYS 8 8 4397 1 . CYS 9 9 4397 1 . ASN 10 10 4397 1 . ILE 11 11 4397 1 . THR 12 12 4397 1 . CYS 13 13 4397 1 . SER 14 14 4397 1 . LYS 15 15 4397 1 . MET 16 16 4397 1 . THR 17 17 4397 1 . SER 18 18 4397 1 . LYS 19 19 4397 1 . ILE 20 20 4397 1 . PRO 21 21 4397 1 . VAL 22 22 4397 1 . ALA 23 23 4397 1 . LEU 24 24 4397 1 . LEU 25 25 4397 1 . ILE 26 26 4397 1 . HIS 27 27 4397 1 . TYR 28 28 4397 1 . GLN 29 29 4397 1 . GLN 30 30 4397 1 . ASN 31 31 4397 1 . GLN 32 32 4397 1 . ALA 33 33 4397 1 . SER 34 34 4397 1 . CYS 35 35 4397 1 . GLY 36 36 4397 1 . LYS 37 37 4397 1 . ARG 38 38 4397 1 . ALA 39 39 4397 1 . ILE 40 40 4397 1 . ILE 41 41 4397 1 . LEU 42 42 4397 1 . GLU 43 43 4397 1 . THR 44 44 4397 1 . ARG 45 45 4397 1 . GLN 46 46 4397 1 . HIS 47 47 4397 1 . ARG 48 48 4397 1 . LEU 49 49 4397 1 . PHE 50 50 4397 1 . CYS 51 51 4397 1 . ALA 52 52 4397 1 . ASP 53 53 4397 1 . PRO 54 54 4397 1 . LYS 55 55 4397 1 . GLU 56 56 4397 1 . GLN 57 57 4397 1 . TRP 58 58 4397 1 . VAL 59 59 4397 1 . LYS 60 60 4397 1 . ASP 61 61 4397 1 . ALA 62 62 4397 1 . MET 63 63 4397 1 . GLN 64 64 4397 1 . HIS 65 65 4397 1 . LEU 66 66 4397 1 . ASP 67 67 4397 1 . ARG 68 68 4397 1 . GLN 69 69 4397 1 . ALA 70 70 4397 1 . ALA 71 71 4397 1 . ALA 72 72 4397 1 . LEU 73 73 4397 1 . THR 74 74 4397 1 . ARG 75 75 4397 1 . ASN 76 76 4397 1 . GLY 77 77 4397 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 4397 _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 $fractalkine . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 4397 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 4397 _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 $fractalkine . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . plasmid . . pLysS . . . 4397 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4397 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 fractalkine '[U-15N; U-13C]' . . 1 $fractalkine . . 1.6 . . mM . . . . 4397 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4397 _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 5.0 0.1 n/a 4397 1 pressure 1 . atm 4397 1 temperature 295.5 0.5 K 4397 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4397 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4397 _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 Bruker DMX . 600 . . . 4397 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 4397 _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 '3D 15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4397 1 2 '3D 13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4397 1 3 '4D 13C/13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4397 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4397 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 4397 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 4397 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 4397 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 4397 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '3D 15N-edited NOESY' 1 $sample_1 . 4397 1 2 '3D 13C-edited NOESY' 1 $sample_1 . 4397 1 3 '4D 13C/13C-edited NOESY' 1 $sample_1 . 4397 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 MET HB2 H 1 4.07 . . 1 . . . . . . . . . 4397 1 2 . 1 1 1 1 MET HB3 H 1 2.07 . . 1 . . . . . . . . . 4397 1 3 . 1 1 1 1 MET CA C 13 54.94 . . 1 . . . . . . . . . 4397 1 4 . 1 1 1 1 MET CB C 13 32.82 . . 1 . . . . . . . . . 4397 1 5 . 1 1 1 1 MET CG C 13 30.63 . . 1 . . . . . . . . . 4397 1 6 . 1 1 1 1 MET HG2 H 1 2.50 . . 1 . . . . . . . . . 4397 1 7 . 1 1 1 1 MET HG3 H 1 2.43 . . 1 . . . . . . . . . 4397 1 8 . 1 1 1 1 MET CE C 13 16.71 . . 1 . . . . . . . . . 4397 1 9 . 1 1 1 1 MET HE1 H 1 2.04 . . 1 . . . . . . . . . 4397 1 10 . 1 1 1 1 MET HE2 H 1 2.04 . . 1 . . . . . . . . . 4397 1 11 . 1 1 1 1 MET HE3 H 1 2.04 . . 1 . . . . . . . . . 4397 1 12 . 1 1 2 2 GLN H H 1 8.76 . . 1 . . . . . . . . . 4397 1 13 . 1 1 2 2 GLN HA H 1 4.29 . . 1 . . . . . . . . . 4397 1 14 . 1 1 2 2 GLN HB2 H 1 1.90 . . 2 . . . . . . . . . 4397 1 15 . 1 1 2 2 GLN N N 15 123.21 . . 1 . . . . . . . . . 4397 1 16 . 1 1 2 2 GLN CA C 13 55.71 . . 1 . . . . . . . . . 4397 1 17 . 1 1 2 2 GLN CB C 13 29.67 . . 1 . . . . . . . . . 4397 1 18 . 1 1 2 2 GLN CG C 13 33.57 . . 1 . . . . . . . . . 4397 1 19 . 1 1 2 2 GLN NE2 N 15 112.40 . . 1 . . . . . . . . . 4397 1 20 . 1 1 2 2 GLN HE21 H 1 7.51 . . 1 . . . . . . . . . 4397 1 21 . 1 1 2 2 GLN HE22 H 1 6.86 . . 1 . . . . . . . . . 4397 1 22 . 1 1 2 2 GLN HG2 H 1 2.27 . . 2 . . . . . . . . . 4397 1 23 . 1 1 3 3 HIS H H 1 8.70 . . 1 . . . . . . . . . 4397 1 24 . 1 1 3 3 HIS HA H 1 4.60 . . 1 . . . . . . . . . 4397 1 25 . 1 1 3 3 HIS HB2 H 1 3.15 . . 1 . . . . . . . . . 4397 1 26 . 1 1 3 3 HIS HB3 H 1 3.07 . . 1 . . . . . . . . . 4397 1 27 . 1 1 3 3 HIS N N 15 120.64 . . 1 . . . . . . . . . 4397 1 28 . 1 1 3 3 HIS CA C 13 55.37 . . 1 . . . . . . . . . 4397 1 29 . 1 1 3 3 HIS CB C 13 29.39 . . 1 . . . . . . . . . 4397 1 30 . 1 1 3 3 HIS CD2 C 13 119.53 . . 1 . . . . . . . . . 4397 1 31 . 1 1 3 3 HIS HD2 H 1 7.21 . . 1 . . . . . . . . . 4397 1 32 . 1 1 3 3 HIS HE1 H 1 8.46 . . 1 . . . . . . . . . 4397 1 33 . 1 1 4 4 HIS H H 1 8.62 . . 1 . . . . . . . . . 4397 1 34 . 1 1 4 4 HIS HA H 1 4.68 . . 1 . . . . . . . . . 4397 1 35 . 1 1 4 4 HIS HB2 H 1 3.22 . . 1 . . . . . . . . . 4397 1 36 . 1 1 4 4 HIS HB3 H 1 3.11 . . 1 . . . . . . . . . 4397 1 37 . 1 1 4 4 HIS N N 15 120.67 . . 1 . . . . . . . . . 4397 1 38 . 1 1 4 4 HIS CA C 13 55.28 . . 1 . . . . . . . . . 4397 1 39 . 1 1 4 4 HIS CB C 13 29.47 . . 1 . . . . . . . . . 4397 1 40 . 1 1 4 4 HIS CD2 C 13 120.06 . . 1 . . . . . . . . . 4397 1 41 . 1 1 4 4 HIS HD2 H 1 7.23 . . 1 . . . . . . . . . 4397 1 42 . 1 1 4 4 HIS HE1 H 1 8.49 . . 1 . . . . . . . . . 4397 1 43 . 1 1 5 5 GLY H H 1 8.51 . . 1 . . . . . . . . . 4397 1 44 . 1 1 5 5 GLY HA2 H 1 3.98 . . 2 . . . . . . . . . 4397 1 45 . 1 1 5 5 GLY HA3 H 1 3.91 . . 2 . . . . . . . . . 4397 1 46 . 1 1 5 5 GLY N N 15 110.79 . . 1 . . . . . . . . . 4397 1 47 . 1 1 5 5 GLY CA C 13 45.00 . . 1 . . . . . . . . . 4397 1 48 . 1 1 6 6 VAL H H 1 8.15 . . 1 . . . . . . . . . 4397 1 49 . 1 1 6 6 VAL HA H 1 4.17 . . 1 . . . . . . . . . 4397 1 50 . 1 1 6 6 VAL HB H 1 2.03 . . 1 . . . . . . . . . 4397 1 51 . 1 1 6 6 VAL N N 15 119.58 . . 1 . . . . . . . . . 4397 1 52 . 1 1 6 6 VAL CA C 13 62.08 . . 1 . . . . . . . . . 4397 1 53 . 1 1 6 6 VAL CB C 13 32.94 . . 1 . . . . . . . . . 4397 1 54 . 1 1 6 6 VAL CG1 C 13 21.12 . . 1 . . . . . . . . . 4397 1 55 . 1 1 6 6 VAL HG11 H 1 0.88 . . 1 . . . . . . . . . 4397 1 56 . 1 1 6 6 VAL HG12 H 1 0.88 . . 1 . . . . . . . . . 4397 1 57 . 1 1 6 6 VAL HG13 H 1 0.88 . . 1 . . . . . . . . . 4397 1 58 . 1 1 6 6 VAL CG2 C 13 20.36 . . 1 . . . . . . . . . 4397 1 59 . 1 1 6 6 VAL HG21 H 1 0.88 . . 1 . . . . . . . . . 4397 1 60 . 1 1 6 6 VAL HG22 H 1 0.88 . . 1 . . . . . . . . . 4397 1 61 . 1 1 6 6 VAL HG23 H 1 0.88 . . 1 . . . . . . . . . 4397 1 62 . 1 1 7 7 THR H H 1 8.34 . . 1 . . . . . . . . . 4397 1 63 . 1 1 7 7 THR HA H 1 4.27 . . 1 . . . . . . . . . 4397 1 64 . 1 1 7 7 THR HB H 1 4.06 . . 1 . . . . . . . . . 4397 1 65 . 1 1 7 7 THR N N 15 119.94 . . 1 . . . . . . . . . 4397 1 66 . 1 1 7 7 THR CA C 13 61.88 . . 1 . . . . . . . . . 4397 1 67 . 1 1 7 7 THR CB C 13 69.84 . . 1 . . . . . . . . . 4397 1 68 . 1 1 7 7 THR CG2 C 13 21.56 . . 1 . . . . . . . . . 4397 1 69 . 1 1 7 7 THR HG21 H 1 1.11 . . 1 . . . . . . . . . 4397 1 70 . 1 1 7 7 THR HG22 H 1 1.11 . . 1 . . . . . . . . . 4397 1 71 . 1 1 7 7 THR HG23 H 1 1.11 . . 1 . . . . . . . . . 4397 1 72 . 1 1 8 8 LYS H H 1 8.40 . . 1 . . . . . . . . . 4397 1 73 . 1 1 8 8 LYS HA H 1 4.25 . . 1 . . . . . . . . . 4397 1 74 . 1 1 8 8 LYS HB2 H 1 1.72 . . 1 . . . . . . . . . 4397 1 75 . 1 1 8 8 LYS HB3 H 1 1.66 . . 1 . . . . . . . . . 4397 1 76 . 1 1 8 8 LYS N N 15 125.09 . . 1 . . . . . . . . . 4397 1 77 . 1 1 8 8 LYS CA C 13 55.97 . . 1 . . . . . . . . . 4397 1 78 . 1 1 8 8 LYS CB C 13 33.14 . . 1 . . . . . . . . . 4397 1 79 . 1 1 8 8 LYS CG C 13 24.56 . . 1 . . . . . . . . . 4397 1 80 . 1 1 8 8 LYS CD C 13 29.01 . . 1 . . . . . . . . . 4397 1 81 . 1 1 8 8 LYS CE C 13 42.08 . . 1 . . . . . . . . . 4397 1 82 . 1 1 8 8 LYS HG2 H 1 1.29 . . 2 . . . . . . . . . 4397 1 83 . 1 1 8 8 LYS HD2 H 1 1.60 . . 2 . . . . . . . . . 4397 1 84 . 1 1 8 8 LYS HE2 H 1 2.91 . . 2 . . . . . . . . . 4397 1 85 . 1 1 9 9 CYS H H 1 8.48 . . 1 . . . . . . . . . 4397 1 86 . 1 1 9 9 CYS HA H 1 4.60 . . 1 . . . . . . . . . 4397 1 87 . 1 1 9 9 CYS HB2 H 1 2.93 . . 1 . . . . . . . . . 4397 1 88 . 1 1 9 9 CYS HB3 H 1 2.63 . . 1 . . . . . . . . . 4397 1 89 . 1 1 9 9 CYS N N 15 121.65 . . 1 . . . . . . . . . 4397 1 90 . 1 1 9 9 CYS CA C 13 55.37 . . 1 . . . . . . . . . 4397 1 91 . 1 1 9 9 CYS CB C 13 41.12 . . 1 . . . . . . . . . 4397 1 92 . 1 1 10 10 ASN H H 1 9.15 . . 1 . . . . . . . . . 4397 1 93 . 1 1 10 10 ASN HA H 1 4.45 . . 1 . . . . . . . . . 4397 1 94 . 1 1 10 10 ASN HB2 H 1 2.71 . . 2 . . . . . . . . . 4397 1 95 . 1 1 10 10 ASN N N 15 124.75 . . 1 . . . . . . . . . 4397 1 96 . 1 1 10 10 ASN CA C 13 55.10 . . 1 . . . . . . . . . 4397 1 97 . 1 1 10 10 ASN CB C 13 38.11 . . 1 . . . . . . . . . 4397 1 98 . 1 1 10 10 ASN ND2 N 15 112.16 . . 1 . . . . . . . . . 4397 1 99 . 1 1 10 10 ASN HD21 H 1 7.59 . . 1 . . . . . . . . . 4397 1 100 . 1 1 10 10 ASN HD22 H 1 6.86 . . 1 . . . . . . . . . 4397 1 101 . 1 1 11 11 ILE H H 1 7.69 . . 1 . . . . . . . . . 4397 1 102 . 1 1 11 11 ILE HA H 1 4.23 . . 1 . . . . . . . . . 4397 1 103 . 1 1 11 11 ILE HB H 1 1.73 . . 1 . . . . . . . . . 4397 1 104 . 1 1 11 11 ILE N N 15 117.16 . . 1 . . . . . . . . . 4397 1 105 . 1 1 11 11 ILE CA C 13 60.29 . . 1 . . . . . . . . . 4397 1 106 . 1 1 11 11 ILE CB C 13 40.63 . . 1 . . . . . . . . . 4397 1 107 . 1 1 11 11 ILE CG1 C 13 28.43 . . 1 . . . . . . . . . 4397 1 108 . 1 1 11 11 ILE HG12 H 1 1.45 . . 1 . . . . . . . . . 4397 1 109 . 1 1 11 11 ILE HG13 H 1 0.83 . . 1 . . . . . . . . . 4397 1 110 . 1 1 11 11 ILE CG2 C 13 16.09 . . 1 . . . . . . . . . 4397 1 111 . 1 1 11 11 ILE HG21 H 1 0.72 . . 1 . . . . . . . . . 4397 1 112 . 1 1 11 11 ILE HG22 H 1 0.72 . . 1 . . . . . . . . . 4397 1 113 . 1 1 11 11 ILE HG23 H 1 0.72 . . 1 . . . . . . . . . 4397 1 114 . 1 1 11 11 ILE CD1 C 13 14.98 . . 1 . . . . . . . . . 4397 1 115 . 1 1 11 11 ILE HD11 H 1 0.75 . . 1 . . . . . . . . . 4397 1 116 . 1 1 11 11 ILE HD12 H 1 0.75 . . 1 . . . . . . . . . 4397 1 117 . 1 1 11 11 ILE HD13 H 1 0.75 . . 1 . . . . . . . . . 4397 1 118 . 1 1 12 12 THR H H 1 8.20 . . 1 . . . . . . . . . 4397 1 119 . 1 1 12 12 THR HA H 1 4.49 . . 1 . . . . . . . . . 4397 1 120 . 1 1 12 12 THR HB H 1 3.90 . . 1 . . . . . . . . . 4397 1 121 . 1 1 12 12 THR N N 15 120.25 . . 1 . . . . . . . . . 4397 1 122 . 1 1 12 12 THR CA C 13 61.12 . . 1 . . . . . . . . . 4397 1 123 . 1 1 12 12 THR CB C 13 69.60 . . 1 . . . . . . . . . 4397 1 124 . 1 1 12 12 THR CG2 C 13 21.05 . . 1 . . . . . . . . . 4397 1 125 . 1 1 12 12 THR HG21 H 1 1.01 . . 1 . . . . . . . . . 4397 1 126 . 1 1 12 12 THR HG22 H 1 1.01 . . 1 . . . . . . . . . 4397 1 127 . 1 1 12 12 THR HG23 H 1 1.01 . . 1 . . . . . . . . . 4397 1 128 . 1 1 13 13 CYS H H 1 8.20 . . 1 . . . . . . . . . 4397 1 129 . 1 1 13 13 CYS HA H 1 5.06 . . 1 . . . . . . . . . 4397 1 130 . 1 1 13 13 CYS HB2 H 1 2.63 . . 1 . . . . . . . . . 4397 1 131 . 1 1 13 13 CYS HB3 H 1 3.03 . . 1 . . . . . . . . . 4397 1 132 . 1 1 13 13 CYS N N 15 122.84 . . 1 . . . . . . . . . 4397 1 133 . 1 1 13 13 CYS CA C 13 53.11 . . 1 . . . . . . . . . 4397 1 134 . 1 1 13 13 CYS CB C 13 39.86 . . 1 . . . . . . . . . 4397 1 135 . 1 1 14 14 SER H H 1 9.32 . . 1 . . . . . . . . . 4397 1 136 . 1 1 14 14 SER HA H 1 4.38 . . 1 . . . . . . . . . 4397 1 137 . 1 1 14 14 SER HB2 H 1 3.83 . . 2 . . . . . . . . . 4397 1 138 . 1 1 14 14 SER N N 15 120.66 . . 1 . . . . . . . . . 4397 1 139 . 1 1 14 14 SER CA C 13 59.21 . . 1 . . . . . . . . . 4397 1 140 . 1 1 14 14 SER CB C 13 63.72 . . 1 . . . . . . . . . 4397 1 141 . 1 1 15 15 LYS H H 1 8.10 . . 1 . . . . . . . . . 4397 1 142 . 1 1 15 15 LYS HA H 1 4.48 . . 1 . . . . . . . . . 4397 1 143 . 1 1 15 15 LYS HB2 H 1 1.84 . . 1 . . . . . . . . . 4397 1 144 . 1 1 15 15 LYS HB3 H 1 1.78 . . 1 . . . . . . . . . 4397 1 145 . 1 1 15 15 LYS N N 15 122.55 . . 1 . . . . . . . . . 4397 1 146 . 1 1 15 15 LYS CA C 13 55.63 . . 1 . . . . . . . . . 4397 1 147 . 1 1 15 15 LYS CB C 13 34.19 . . 1 . . . . . . . . . 4397 1 148 . 1 1 15 15 LYS CG C 13 24.57 . . 1 . . . . . . . . . 4397 1 149 . 1 1 15 15 LYS CD C 13 29.17 . . 1 . . . . . . . . . 4397 1 150 . 1 1 15 15 LYS CE C 13 42.18 . . 1 . . . . . . . . . 4397 1 151 . 1 1 15 15 LYS HG2 H 1 1.42 . . 2 . . . . . . . . . 4397 1 152 . 1 1 15 15 LYS HD2 H 1 1.70 . . 2 . . . . . . . . . 4397 1 153 . 1 1 15 15 LYS HE2 H 1 3.01 . . 2 . . . . . . . . . 4397 1 154 . 1 1 16 16 MET H H 1 8.82 . . 1 . . . . . . . . . 4397 1 155 . 1 1 16 16 MET HA H 1 4.82 . . 1 . . . . . . . . . 4397 1 156 . 1 1 16 16 MET HB2 H 1 2.28 . . 1 . . . . . . . . . 4397 1 157 . 1 1 16 16 MET HB3 H 1 2.15 . . 1 . . . . . . . . . 4397 1 158 . 1 1 16 16 MET N N 15 123.67 . . 1 . . . . . . . . . 4397 1 159 . 1 1 16 16 MET CA C 13 53.20 . . 1 . . . . . . . . . 4397 1 160 . 1 1 16 16 MET CB C 13 33.25 . . 1 . . . . . . . . . 4397 1 161 . 1 1 16 16 MET CG C 13 33.64 . . 1 . . . . . . . . . 4397 1 162 . 1 1 16 16 MET HG2 H 1 2.87 . . 1 . . . . . . . . . 4397 1 163 . 1 1 16 16 MET HG3 H 1 2.55 . . 1 . . . . . . . . . 4397 1 164 . 1 1 16 16 MET CE C 13 19.32 . . 1 . . . . . . . . . 4397 1 165 . 1 1 16 16 MET HE1 H 1 1.92 . . 1 . . . . . . . . . 4397 1 166 . 1 1 16 16 MET HE2 H 1 1.92 . . 1 . . . . . . . . . 4397 1 167 . 1 1 16 16 MET HE3 H 1 1.92 . . 1 . . . . . . . . . 4397 1 168 . 1 1 17 17 THR H H 1 9.07 . . 1 . . . . . . . . . 4397 1 169 . 1 1 17 17 THR HA H 1 4.47 . . 1 . . . . . . . . . 4397 1 170 . 1 1 17 17 THR HB H 1 4.30 . . 1 . . . . . . . . . 4397 1 171 . 1 1 17 17 THR N N 15 118.07 . . 1 . . . . . . . . . 4397 1 172 . 1 1 17 17 THR CA C 13 62.11 . . 1 . . . . . . . . . 4397 1 173 . 1 1 17 17 THR CB C 13 69.41 . . 1 . . . . . . . . . 4397 1 174 . 1 1 17 17 THR CG2 C 13 19.91 . . 1 . . . . . . . . . 4397 1 175 . 1 1 17 17 THR HG21 H 1 1.40 . . 1 . . . . . . . . . 4397 1 176 . 1 1 17 17 THR HG22 H 1 1.40 . . 1 . . . . . . . . . 4397 1 177 . 1 1 17 17 THR HG23 H 1 1.40 . . 1 . . . . . . . . . 4397 1 178 . 1 1 18 18 SER H H 1 7.79 . . 1 . . . . . . . . . 4397 1 179 . 1 1 18 18 SER HA H 1 4.54 . . 1 . . . . . . . . . 4397 1 180 . 1 1 18 18 SER HB2 H 1 3.81 . . 2 . . . . . . . . . 4397 1 181 . 1 1 18 18 SER N N 15 120.26 . . 1 . . . . . . . . . 4397 1 182 . 1 1 18 18 SER CA C 13 58.32 . . 1 . . . . . . . . . 4397 1 183 . 1 1 18 18 SER CB C 13 63.82 . . 1 . . . . . . . . . 4397 1 184 . 1 1 19 19 LYS H H 1 7.51 . . 1 . . . . . . . . . 4397 1 185 . 1 1 19 19 LYS HA H 1 0.68 . . 1 . . . . . . . . . 4397 1 186 . 1 1 19 19 LYS HB2 H 1 0.77 . . 1 . . . . . . . . . 4397 1 187 . 1 1 19 19 LYS HB3 H 1 0.44 . . 1 . . . . . . . . . 4397 1 188 . 1 1 19 19 LYS N N 15 117.99 . . 1 . . . . . . . . . 4397 1 189 . 1 1 19 19 LYS CA C 13 57.87 . . 1 . . . . . . . . . 4397 1 190 . 1 1 19 19 LYS CB C 13 32.52 . . 1 . . . . . . . . . 4397 1 191 . 1 1 19 19 LYS CG C 13 23.81 . . 1 . . . . . . . . . 4397 1 192 . 1 1 19 19 LYS HG2 H 1 0.38 . . 1 . . . . . . . . . 4397 1 193 . 1 1 19 19 LYS HG3 H 1 0.19 . . 1 . . . . . . . . . 4397 1 194 . 1 1 19 19 LYS CD C 13 29.58 . . 1 . . . . . . . . . 4397 1 195 . 1 1 19 19 LYS HD2 H 1 1.29 . . 1 . . . . . . . . . 4397 1 196 . 1 1 19 19 LYS HD3 H 1 1.26 . . 1 . . . . . . . . . 4397 1 197 . 1 1 19 19 LYS CE C 13 41.81 . . 1 . . . . . . . . . 4397 1 198 . 1 1 19 19 LYS HE2 H 1 2.75 . . 2 . . . . . . . . . 4397 1 199 . 1 1 20 20 ILE H H 1 5.33 . . 1 . . . . . . . . . 4397 1 200 . 1 1 20 20 ILE HA H 1 4.14 . . 1 . . . . . . . . . 4397 1 201 . 1 1 20 20 ILE HB H 1 1.32 . . 1 . . . . . . . . . 4397 1 202 . 1 1 20 20 ILE N N 15 128.06 . . 1 . . . . . . . . . 4397 1 203 . 1 1 20 20 ILE CA C 13 57.26 . . 1 . . . . . . . . . 4397 1 204 . 1 1 20 20 ILE CB C 13 42.58 . . 1 . . . . . . . . . 4397 1 205 . 1 1 20 20 ILE CG1 C 13 26.48 . . 1 . . . . . . . . . 4397 1 206 . 1 1 20 20 ILE HG12 H 1 1.46 . . 1 . . . . . . . . . 4397 1 207 . 1 1 20 20 ILE HG13 H 1 0.53 . . 1 . . . . . . . . . 4397 1 208 . 1 1 20 20 ILE CG2 C 13 16.30 . . 1 . . . . . . . . . 4397 1 209 . 1 1 20 20 ILE HG21 H 1 0.75 . . 1 . . . . . . . . . 4397 1 210 . 1 1 20 20 ILE HG22 H 1 0.75 . . 1 . . . . . . . . . 4397 1 211 . 1 1 20 20 ILE HG23 H 1 0.75 . . 1 . . . . . . . . . 4397 1 212 . 1 1 20 20 ILE CD1 C 13 13.62 . . 1 . . . . . . . . . 4397 1 213 . 1 1 20 20 ILE HD11 H 1 0.25 . . 1 . . . . . . . . . 4397 1 214 . 1 1 20 20 ILE HD12 H 1 0.25 . . 1 . . . . . . . . . 4397 1 215 . 1 1 20 20 ILE HD13 H 1 0.25 . . 1 . . . . . . . . . 4397 1 216 . 1 1 21 21 PRO HA H 1 4.12 . . 1 . . . . . . . . . 4397 1 217 . 1 1 21 21 PRO HB2 H 1 2.27 . . 2 . . . . . . . . . 4397 1 218 . 1 1 21 21 PRO HB3 H 1 1.76 . . 2 . . . . . . . . . 4397 1 219 . 1 1 21 21 PRO CA C 13 62.97 . . 1 . . . . . . . . . 4397 1 220 . 1 1 21 21 PRO CB C 13 32.26 . . 1 . . . . . . . . . 4397 1 221 . 1 1 21 21 PRO CG C 13 27.58 . . 1 . . . . . . . . . 4397 1 222 . 1 1 21 21 PRO HG2 H 1 1.98 . . 1 . . . . . . . . . 4397 1 223 . 1 1 21 21 PRO HG3 H 1 1.81 . . 1 . . . . . . . . . 4397 1 224 . 1 1 21 21 PRO CD C 13 51.28 . . 1 . . . . . . . . . 4397 1 225 . 1 1 21 21 PRO HD3 H 1 3.60 . . 1 . . . . . . . . . 4397 1 226 . 1 1 21 21 PRO HD2 H 1 3.44 . . 1 . . . . . . . . . 4397 1 227 . 1 1 22 22 VAL H H 1 8.04 . . 1 . . . . . . . . . 4397 1 228 . 1 1 22 22 VAL HA H 1 3.68 . . 1 . . . . . . . . . 4397 1 229 . 1 1 22 22 VAL HB H 1 1.93 . . 1 . . . . . . . . . 4397 1 230 . 1 1 22 22 VAL N N 15 123.09 . . 1 . . . . . . . . . 4397 1 231 . 1 1 22 22 VAL CA C 13 65.29 . . 1 . . . . . . . . . 4397 1 232 . 1 1 22 22 VAL CB C 13 31.53 . . 1 . . . . . . . . . 4397 1 233 . 1 1 22 22 VAL CG1 C 13 21.75 . . 1 . . . . . . . . . 4397 1 234 . 1 1 22 22 VAL HG11 H 1 0.80 . . 1 . . . . . . . . . 4397 1 235 . 1 1 22 22 VAL HG12 H 1 0.80 . . 1 . . . . . . . . . 4397 1 236 . 1 1 22 22 VAL HG13 H 1 0.80 . . 1 . . . . . . . . . 4397 1 237 . 1 1 22 22 VAL CG2 C 13 20.50 . . 1 . . . . . . . . . 4397 1 238 . 1 1 22 22 VAL HG21 H 1 0.72 . . 1 . . . . . . . . . 4397 1 239 . 1 1 22 22 VAL HG22 H 1 0.72 . . 1 . . . . . . . . . 4397 1 240 . 1 1 22 22 VAL HG23 H 1 0.72 . . 1 . . . . . . . . . 4397 1 241 . 1 1 23 23 ALA H H 1 8.43 . . 1 . . . . . . . . . 4397 1 242 . 1 1 23 23 ALA HA H 1 4.17 . . 1 . . . . . . . . . 4397 1 243 . 1 1 23 23 ALA HB1 H 1 1.34 . . 1 . . . . . . . . . 4397 1 244 . 1 1 23 23 ALA HB2 H 1 1.34 . . 1 . . . . . . . . . 4397 1 245 . 1 1 23 23 ALA HB3 H 1 1.34 . . 1 . . . . . . . . . 4397 1 246 . 1 1 23 23 ALA N N 15 121.58 . . 1 . . . . . . . . . 4397 1 247 . 1 1 23 23 ALA CA C 13 54.05 . . 1 . . . . . . . . . 4397 1 248 . 1 1 23 23 ALA CB C 13 18.55 . . 1 . . . . . . . . . 4397 1 249 . 1 1 24 24 LEU H H 1 7.74 . . 1 . . . . . . . . . 4397 1 250 . 1 1 24 24 LEU HA H 1 4.25 . . 1 . . . . . . . . . 4397 1 251 . 1 1 24 24 LEU HB2 H 1 1.71 . . 2 . . . . . . . . . 4397 1 252 . 1 1 24 24 LEU N N 15 115.01 . . 1 . . . . . . . . . 4397 1 253 . 1 1 24 24 LEU CA C 13 54.80 . . 1 . . . . . . . . . 4397 1 254 . 1 1 24 24 LEU CB C 13 42.75 . . 1 . . . . . . . . . 4397 1 255 . 1 1 24 24 LEU CG C 13 27.45 . . 1 . . . . . . . . . 4397 1 256 . 1 1 24 24 LEU HG H 1 1.62 . . 1 . . . . . . . . . 4397 1 257 . 1 1 24 24 LEU CD1 C 13 24.81 . . 1 . . . . . . . . . 4397 1 258 . 1 1 24 24 LEU HD11 H 1 0.88 . . 1 . . . . . . . . . 4397 1 259 . 1 1 24 24 LEU HD12 H 1 0.88 . . 1 . . . . . . . . . 4397 1 260 . 1 1 24 24 LEU HD13 H 1 0.88 . . 1 . . . . . . . . . 4397 1 261 . 1 1 24 24 LEU CD2 C 13 22.73 . . 1 . . . . . . . . . 4397 1 262 . 1 1 24 24 LEU HD21 H 1 0.82 . . 1 . . . . . . . . . 4397 1 263 . 1 1 24 24 LEU HD22 H 1 0.82 . . 1 . . . . . . . . . 4397 1 264 . 1 1 24 24 LEU HD23 H 1 0.82 . . 1 . . . . . . . . . 4397 1 265 . 1 1 25 25 LEU H H 1 7.70 . . 1 . . . . . . . . . 4397 1 266 . 1 1 25 25 LEU HA H 1 4.68 . . 1 . . . . . . . . . 4397 1 267 . 1 1 25 25 LEU HB2 H 1 2.16 . . 1 . . . . . . . . . 4397 1 268 . 1 1 25 25 LEU HB3 H 1 1.29 . . 1 . . . . . . . . . 4397 1 269 . 1 1 25 25 LEU N N 15 118.19 . . 1 . . . . . . . . . 4397 1 270 . 1 1 25 25 LEU CA C 13 54.46 . . 1 . . . . . . . . . 4397 1 271 . 1 1 25 25 LEU CB C 13 44.53 . . 1 . . . . . . . . . 4397 1 272 . 1 1 25 25 LEU CG C 13 25.97 . . 1 . . . . . . . . . 4397 1 273 . 1 1 25 25 LEU HG H 1 1.92 . . 1 . . . . . . . . . 4397 1 274 . 1 1 25 25 LEU CD1 C 13 27.08 . . 1 . . . . . . . . . 4397 1 275 . 1 1 25 25 LEU HD11 H 1 0.99 . . 1 . . . . . . . . . 4397 1 276 . 1 1 25 25 LEU HD12 H 1 0.99 . . 1 . . . . . . . . . 4397 1 277 . 1 1 25 25 LEU HD13 H 1 0.99 . . 1 . . . . . . . . . 4397 1 278 . 1 1 25 25 LEU CD2 C 13 24.36 . . 1 . . . . . . . . . 4397 1 279 . 1 1 25 25 LEU HD21 H 1 0.80 . . 1 . . . . . . . . . 4397 1 280 . 1 1 25 25 LEU HD22 H 1 0.80 . . 1 . . . . . . . . . 4397 1 281 . 1 1 25 25 LEU HD23 H 1 0.80 . . 1 . . . . . . . . . 4397 1 282 . 1 1 26 26 ILE H H 1 8.82 . . 1 . . . . . . . . . 4397 1 283 . 1 1 26 26 ILE HA H 1 4.68 . . 1 . . . . . . . . . 4397 1 284 . 1 1 26 26 ILE HB H 1 1.77 . . 1 . . . . . . . . . 4397 1 285 . 1 1 26 26 ILE N N 15 110.12 . . 1 . . . . . . . . . 4397 1 286 . 1 1 26 26 ILE CA C 13 60.83 . . 1 . . . . . . . . . 4397 1 287 . 1 1 26 26 ILE CB C 13 41.19 . . 1 . . . . . . . . . 4397 1 288 . 1 1 26 26 ILE CG1 C 13 25.76 . . 1 . . . . . . . . . 4397 1 289 . 1 1 26 26 ILE HG12 H 1 1.07 . . 1 . . . . . . . . . 4397 1 290 . 1 1 26 26 ILE HG13 H 1 0.62 . . 1 . . . . . . . . . 4397 1 291 . 1 1 26 26 ILE CG2 C 13 18.00 . . 1 . . . . . . . . . 4397 1 292 . 1 1 26 26 ILE HG21 H 1 0.73 . . 1 . . . . . . . . . 4397 1 293 . 1 1 26 26 ILE HG22 H 1 0.73 . . 1 . . . . . . . . . 4397 1 294 . 1 1 26 26 ILE HG23 H 1 0.73 . . 1 . . . . . . . . . 4397 1 295 . 1 1 26 26 ILE CD1 C 13 14.33 . . 1 . . . . . . . . . 4397 1 296 . 1 1 26 26 ILE HD11 H 1 0.70 . . 1 . . . . . . . . . 4397 1 297 . 1 1 26 26 ILE HD12 H 1 0.70 . . 1 . . . . . . . . . 4397 1 298 . 1 1 26 26 ILE HD13 H 1 0.70 . . 1 . . . . . . . . . 4397 1 299 . 1 1 27 27 HIS H H 1 7.67 . . 1 . . . . . . . . . 4397 1 300 . 1 1 27 27 HIS HA H 1 5.00 . . 1 . . . . . . . . . 4397 1 301 . 1 1 27 27 HIS HB2 H 1 3.35 . . 1 . . . . . . . . . 4397 1 302 . 1 1 27 27 HIS HB3 H 1 3.14 . . 1 . . . . . . . . . 4397 1 303 . 1 1 27 27 HIS N N 15 118.05 . . 1 . . . . . . . . . 4397 1 304 . 1 1 27 27 HIS CA C 13 55.70 . . 1 . . . . . . . . . 4397 1 305 . 1 1 27 27 HIS CB C 13 32.49 . . 1 . . . . . . . . . 4397 1 306 . 1 1 27 27 HIS CD2 C 13 120.70 . . 1 . . . . . . . . . 4397 1 307 . 1 1 27 27 HIS HD2 H 1 7.31 . . 1 . . . . . . . . . 4397 1 308 . 1 1 27 27 HIS HE1 H 1 8.54 . . 1 . . . . . . . . . 4397 1 309 . 1 1 28 28 TYR H H 1 7.85 . . 1 . . . . . . . . . 4397 1 310 . 1 1 28 28 TYR HA H 1 5.90 . . 1 . . . . . . . . . 4397 1 311 . 1 1 28 28 TYR HB2 H 1 2.56 . . 1 . . . . . . . . . 4397 1 312 . 1 1 28 28 TYR HB3 H 1 2.82 . . 1 . . . . . . . . . 4397 1 313 . 1 1 28 28 TYR N N 15 118.89 . . 1 . . . . . . . . . 4397 1 314 . 1 1 28 28 TYR CA C 13 56.07 . . 1 . . . . . . . . . 4397 1 315 . 1 1 28 28 TYR CB C 13 42.20 . . 1 . . . . . . . . . 4397 1 316 . 1 1 28 28 TYR CD1 C 13 132.31 . . 3 . . . . . . . . . 4397 1 317 . 1 1 28 28 TYR HD1 H 1 6.71 . . 3 . . . . . . . . . 4397 1 318 . 1 1 28 28 TYR CE1 C 13 118.72 . . 3 . . . . . . . . . 4397 1 319 . 1 1 28 28 TYR HE1 H 1 6.82 . . 3 . . . . . . . . . 4397 1 320 . 1 1 29 29 GLN H H 1 8.70 . . 1 . . . . . . . . . 4397 1 321 . 1 1 29 29 GLN HA H 1 4.48 . . 1 . . . . . . . . . 4397 1 322 . 1 1 29 29 GLN HB2 H 1 2.00 . . 2 . . . . . . . . . 4397 1 323 . 1 1 29 29 GLN N N 15 115.63 . . 1 . . . . . . . . . 4397 1 324 . 1 1 29 29 GLN CA C 13 54.53 . . 1 . . . . . . . . . 4397 1 325 . 1 1 29 29 GLN CB C 13 32.91 . . 1 . . . . . . . . . 4397 1 326 . 1 1 29 29 GLN CG C 13 33.04 . . 1 . . . . . . . . . 4397 1 327 . 1 1 29 29 GLN HG2 H 1 2.29 . . 1 . . . . . . . . . 4397 1 328 . 1 1 29 29 GLN HG3 H 1 2.15 . . 1 . . . . . . . . . 4397 1 329 . 1 1 29 29 GLN NE2 N 15 112.48 . . 1 . . . . . . . . . 4397 1 330 . 1 1 29 29 GLN HE21 H 1 7.5 . . 1 . . . . . . . . . 4397 1 331 . 1 1 29 29 GLN HE22 H 1 6.86 . . 1 . . . . . . . . . 4397 1 332 . 1 1 30 30 GLN H H 1 9.09 . . 1 . . . . . . . . . 4397 1 333 . 1 1 30 30 GLN HA H 1 4.51 . . 1 . . . . . . . . . 4397 1 334 . 1 1 30 30 GLN HB2 H 1 2.17 . . 1 . . . . . . . . . 4397 1 335 . 1 1 30 30 GLN HB3 H 1 1.99 . . 1 . . . . . . . . . 4397 1 336 . 1 1 30 30 GLN N N 15 122.20 . . 1 . . . . . . . . . 4397 1 337 . 1 1 30 30 GLN CA C 13 56.68 . . 1 . . . . . . . . . 4397 1 338 . 1 1 30 30 GLN CB C 13 29.22 . . 1 . . . . . . . . . 4397 1 339 . 1 1 30 30 GLN CG C 13 33.49 . . 1 . . . . . . . . . 4397 1 340 . 1 1 30 30 GLN NE2 N 15 111.28 . . 1 . . . . . . . . . 4397 1 341 . 1 1 30 30 GLN HE21 H 1 7.62 . . 1 . . . . . . . . . 4397 1 342 . 1 1 30 30 GLN HE22 H 1 6.72 . . 1 . . . . . . . . . 4397 1 343 . 1 1 30 30 GLN HG2 H 1 2.47 . . 2 . . . . . . . . . 4397 1 344 . 1 1 31 31 ASN H H 1 8.69 . . 1 . . . . . . . . . 4397 1 345 . 1 1 31 31 ASN HA H 1 4.73 . . 1 . . . . . . . . . 4397 1 346 . 1 1 31 31 ASN HB2 H 1 2.82 . . 1 . . . . . . . . . 4397 1 347 . 1 1 31 31 ASN HB3 H 1 2.70 . . 1 . . . . . . . . . 4397 1 348 . 1 1 31 31 ASN N N 15 121.58 . . 1 . . . . . . . . . 4397 1 349 . 1 1 31 31 ASN CA C 13 52.85 . . 1 . . . . . . . . . 4397 1 350 . 1 1 31 31 ASN CB C 13 38.96 . . 1 . . . . . . . . . 4397 1 351 . 1 1 31 31 ASN ND2 N 15 111.40 . . 1 . . . . . . . . . 4397 1 352 . 1 1 31 31 ASN HD21 H 1 7.30 . . 1 . . . . . . . . . 4397 1 353 . 1 1 31 31 ASN HD22 H 1 6.78 . . 1 . . . . . . . . . 4397 1 354 . 1 1 32 32 GLN H H 1 7.98 . . 1 . . . . . . . . . 4397 1 355 . 1 1 32 32 GLN HA H 1 4.24 . . 1 . . . . . . . . . 4397 1 356 . 1 1 32 32 GLN HB2 H 1 2.20 . . 1 . . . . . . . . . 4397 1 357 . 1 1 32 32 GLN HB3 H 1 1.98 . . 1 . . . . . . . . . 4397 1 358 . 1 1 32 32 GLN N N 15 123.66 . . 1 . . . . . . . . . 4397 1 359 . 1 1 32 32 GLN CA C 13 56.04 . . 1 . . . . . . . . . 4397 1 360 . 1 1 32 32 GLN CB C 13 30.34 . . 1 . . . . . . . . . 4397 1 361 . 1 1 32 32 GLN CG C 13 34.33 . . 1 . . . . . . . . . 4397 1 362 . 1 1 32 32 GLN NE2 N 15 112.94 . . 1 . . . . . . . . . 4397 1 363 . 1 1 32 32 GLN HE21 H 1 7.55 . . 1 . . . . . . . . . 4397 1 364 . 1 1 32 32 GLN HE22 H 1 6.89 . . 1 . . . . . . . . . 4397 1 365 . 1 1 32 32 GLN HG2 H 1 2.45 . . 2 . . . . . . . . . 4397 1 366 . 1 1 33 33 ALA H H 1 8.76 . . 1 . . . . . . . . . 4397 1 367 . 1 1 33 33 ALA HA H 1 4.10 . . 1 . . . . . . . . . 4397 1 368 . 1 1 33 33 ALA HB1 H 1 1.42 . . 1 . . . . . . . . . 4397 1 369 . 1 1 33 33 ALA HB2 H 1 1.42 . . 1 . . . . . . . . . 4397 1 370 . 1 1 33 33 ALA HB3 H 1 1.42 . . 1 . . . . . . . . . 4397 1 371 . 1 1 33 33 ALA N N 15 125.72 . . 1 . . . . . . . . . 4397 1 372 . 1 1 33 33 ALA CA C 13 54.34 . . 1 . . . . . . . . . 4397 1 373 . 1 1 33 33 ALA CB C 13 18.51 . . 1 . . . . . . . . . 4397 1 374 . 1 1 34 34 SER H H 1 8.06 . . 1 . . . . . . . . . 4397 1 375 . 1 1 34 34 SER HA H 1 4.35 . . 1 . . . . . . . . . 4397 1 376 . 1 1 34 34 SER HB2 H 1 3.98 . . 1 . . . . . . . . . 4397 1 377 . 1 1 34 34 SER HB3 H 1 3.90 . . 1 . . . . . . . . . 4397 1 378 . 1 1 34 34 SER N N 15 110.05 . . 1 . . . . . . . . . 4397 1 379 . 1 1 34 34 SER CA C 13 59.22 . . 1 . . . . . . . . . 4397 1 380 . 1 1 34 34 SER CB C 13 62.77 . . 1 . . . . . . . . . 4397 1 381 . 1 1 35 35 CYS H H 1 7.63 . . 1 . . . . . . . . . 4397 1 382 . 1 1 35 35 CYS HA H 1 5.03 . . 1 . . . . . . . . . 4397 1 383 . 1 1 35 35 CYS HB2 H 1 3.82 . . 1 . . . . . . . . . 4397 1 384 . 1 1 35 35 CYS HB3 H 1 2.99 . . 1 . . . . . . . . . 4397 1 385 . 1 1 35 35 CYS N N 15 119.74 . . 1 . . . . . . . . . 4397 1 386 . 1 1 35 35 CYS CA C 13 53.34 . . 1 . . . . . . . . . 4397 1 387 . 1 1 35 35 CYS CB C 13 39.05 . . 1 . . . . . . . . . 4397 1 388 . 1 1 36 36 GLY H H 1 8.34 . . 1 . . . . . . . . . 4397 1 389 . 1 1 36 36 GLY HA2 H 1 4.28 . . 2 . . . . . . . . . 4397 1 390 . 1 1 36 36 GLY HA3 H 1 3.66 . . 2 . . . . . . . . . 4397 1 391 . 1 1 36 36 GLY N N 15 112.13 . . 1 . . . . . . . . . 4397 1 392 . 1 1 36 36 GLY CA C 13 45.01 . . 1 . . . . . . . . . 4397 1 393 . 1 1 37 37 LYS H H 1 8.03 . . 1 . . . . . . . . . 4397 1 394 . 1 1 37 37 LYS HA H 1 4.05 . . 1 . . . . . . . . . 4397 1 395 . 1 1 37 37 LYS HB2 H 1 1.67 . . 1 . . . . . . . . . 4397 1 396 . 1 1 37 37 LYS HB3 H 1 1.35 . . 1 . . . . . . . . . 4397 1 397 . 1 1 37 37 LYS N N 15 122.43 . . 1 . . . . . . . . . 4397 1 398 . 1 1 37 37 LYS CA C 13 56.30 . . 1 . . . . . . . . . 4397 1 399 . 1 1 37 37 LYS CB C 13 33.68 . . 1 . . . . . . . . . 4397 1 400 . 1 1 37 37 LYS CG C 13 25.19 . . 1 . . . . . . . . . 4397 1 401 . 1 1 37 37 LYS HG2 H 1 1.47 . . 1 . . . . . . . . . 4397 1 402 . 1 1 37 37 LYS HG3 H 1 1.42 . . 1 . . . . . . . . . 4397 1 403 . 1 1 37 37 LYS CD C 13 29.27 . . 1 . . . . . . . . . 4397 1 404 . 1 1 37 37 LYS CE C 13 42.16 . . 1 . . . . . . . . . 4397 1 405 . 1 1 37 37 LYS HD2 H 1 1.57 . . 2 . . . . . . . . . 4397 1 406 . 1 1 37 37 LYS HE2 H 1 2.99 . . 2 . . . . . . . . . 4397 1 407 . 1 1 38 38 ARG H H 1 8.31 . . 1 . . . . . . . . . 4397 1 408 . 1 1 38 38 ARG HA H 1 4.18 . . 1 . . . . . . . . . 4397 1 409 . 1 1 38 38 ARG HB2 H 1 1.72 . . 2 . . . . . . . . . 4397 1 410 . 1 1 38 38 ARG N N 15 122.60 . . 1 . . . . . . . . . 4397 1 411 . 1 1 38 38 ARG CA C 13 57.02 . . 1 . . . . . . . . . 4397 1 412 . 1 1 38 38 ARG CB C 13 29.52 . . 1 . . . . . . . . . 4397 1 413 . 1 1 38 38 ARG CG C 13 27.03 . . 1 . . . . . . . . . 4397 1 414 . 1 1 38 38 ARG CD C 13 43.24 . . 1 . . . . . . . . . 4397 1 415 . 1 1 38 38 ARG NE N 15 84.70 . . 1 . . . . . . . . . 4397 1 416 . 1 1 38 38 ARG HE H 1 7.22 . . 1 . . . . . . . . . 4397 1 417 . 1 1 38 38 ARG HG2 H 1 1.54 . . 2 . . . . . . . . . 4397 1 418 . 1 1 38 38 ARG HD2 H 1 3.19 . . 2 . . . . . . . . . 4397 1 419 . 1 1 39 39 ALA H H 1 7.82 . . 1 . . . . . . . . . 4397 1 420 . 1 1 39 39 ALA HA H 1 4.64 . . 1 . . . . . . . . . 4397 1 421 . 1 1 39 39 ALA HB1 H 1 1.37 . . 1 . . . . . . . . . 4397 1 422 . 1 1 39 39 ALA HB2 H 1 1.37 . . 1 . . . . . . . . . 4397 1 423 . 1 1 39 39 ALA HB3 H 1 1.37 . . 1 . . . . . . . . . 4397 1 424 . 1 1 39 39 ALA N N 15 123.77 . . 1 . . . . . . . . . 4397 1 425 . 1 1 39 39 ALA CA C 13 51.44 . . 1 . . . . . . . . . 4397 1 426 . 1 1 39 39 ALA CB C 13 23.43 . . 1 . . . . . . . . . 4397 1 427 . 1 1 40 40 ILE H H 1 9.04 . . 1 . . . . . . . . . 4397 1 428 . 1 1 40 40 ILE HA H 1 4.49 . . 1 . . . . . . . . . 4397 1 429 . 1 1 40 40 ILE HB H 1 1.70 . . 1 . . . . . . . . . 4397 1 430 . 1 1 40 40 ILE N N 15 119.42 . . 1 . . . . . . . . . 4397 1 431 . 1 1 40 40 ILE CA C 13 57.76 . . 1 . . . . . . . . . 4397 1 432 . 1 1 40 40 ILE CB C 13 37.91 . . 1 . . . . . . . . . 4397 1 433 . 1 1 40 40 ILE CG1 C 13 26.44 . . 1 . . . . . . . . . 4397 1 434 . 1 1 40 40 ILE CG2 C 13 18.15 . . 1 . . . . . . . . . 4397 1 435 . 1 1 40 40 ILE HG21 H 1 0.72 . . 1 . . . . . . . . . 4397 1 436 . 1 1 40 40 ILE HG22 H 1 0.72 . . 1 . . . . . . . . . 4397 1 437 . 1 1 40 40 ILE HG23 H 1 0.72 . . 1 . . . . . . . . . 4397 1 438 . 1 1 40 40 ILE CD1 C 13 9.83 . . 1 . . . . . . . . . 4397 1 439 . 1 1 40 40 ILE HD11 H 1 0.67 . . 1 . . . . . . . . . 4397 1 440 . 1 1 40 40 ILE HD12 H 1 0.67 . . 1 . . . . . . . . . 4397 1 441 . 1 1 40 40 ILE HD13 H 1 0.67 . . 1 . . . . . . . . . 4397 1 442 . 1 1 40 40 ILE HG12 H 1 1.27 . . 2 . . . . . . . . . 4397 1 443 . 1 1 41 41 ILE H H 1 9.35 . . 1 . . . . . . . . . 4397 1 444 . 1 1 41 41 ILE HA H 1 4.92 . . 1 . . . . . . . . . 4397 1 445 . 1 1 41 41 ILE HB H 1 1.98 . . 1 . . . . . . . . . 4397 1 446 . 1 1 41 41 ILE N N 15 126.18 . . 1 . . . . . . . . . 4397 1 447 . 1 1 41 41 ILE CA C 13 58.68 . . 1 . . . . . . . . . 4397 1 448 . 1 1 41 41 ILE CB C 13 36.75 . . 1 . . . . . . . . . 4397 1 449 . 1 1 41 41 ILE CG1 C 13 26.79 . . 1 . . . . . . . . . 4397 1 450 . 1 1 41 41 ILE HG12 H 1 1.38 . . 1 . . . . . . . . . 4397 1 451 . 1 1 41 41 ILE HG13 H 1 1.24 . . 1 . . . . . . . . . 4397 1 452 . 1 1 41 41 ILE CG2 C 13 18.91 . . 1 . . . . . . . . . 4397 1 453 . 1 1 41 41 ILE HG21 H 1 0.83 . . 1 . . . . . . . . . 4397 1 454 . 1 1 41 41 ILE HG22 H 1 0.83 . . 1 . . . . . . . . . 4397 1 455 . 1 1 41 41 ILE HG23 H 1 0.83 . . 1 . . . . . . . . . 4397 1 456 . 1 1 41 41 ILE CD1 C 13 12.02 . . 1 . . . . . . . . . 4397 1 457 . 1 1 41 41 ILE HD11 H 1 0.75 . . 1 . . . . . . . . . 4397 1 458 . 1 1 41 41 ILE HD12 H 1 0.75 . . 1 . . . . . . . . . 4397 1 459 . 1 1 41 41 ILE HD13 H 1 0.75 . . 1 . . . . . . . . . 4397 1 460 . 1 1 42 42 LEU H H 1 9.41 . . 1 . . . . . . . . . 4397 1 461 . 1 1 42 42 LEU HA H 1 4.98 . . 1 . . . . . . . . . 4397 1 462 . 1 1 42 42 LEU HB2 H 1 1.49 . . 1 . . . . . . . . . 4397 1 463 . 1 1 42 42 LEU HB3 H 1 1.83 . . 1 . . . . . . . . . 4397 1 464 . 1 1 42 42 LEU N N 15 128.33 . . 1 . . . . . . . . . 4397 1 465 . 1 1 42 42 LEU CA C 13 53.19 . . 1 . . . . . . . . . 4397 1 466 . 1 1 42 42 LEU CB C 13 44.65 . . 1 . . . . . . . . . 4397 1 467 . 1 1 42 42 LEU CG C 13 26.30 . . 1 . . . . . . . . . 4397 1 468 . 1 1 42 42 LEU HG H 1 1.66 . . 1 . . . . . . . . . 4397 1 469 . 1 1 42 42 LEU CD1 C 13 27.92 . . 1 . . . . . . . . . 4397 1 470 . 1 1 42 42 LEU HD11 H 1 0.85 . . 1 . . . . . . . . . 4397 1 471 . 1 1 42 42 LEU HD12 H 1 0.85 . . 1 . . . . . . . . . 4397 1 472 . 1 1 42 42 LEU HD13 H 1 0.85 . . 1 . . . . . . . . . 4397 1 473 . 1 1 42 42 LEU CD2 C 13 22.89 . . 1 . . . . . . . . . 4397 1 474 . 1 1 42 42 LEU HD21 H 1 0.75 . . 1 . . . . . . . . . 4397 1 475 . 1 1 42 42 LEU HD22 H 1 0.75 . . 1 . . . . . . . . . 4397 1 476 . 1 1 42 42 LEU HD23 H 1 0.75 . . 1 . . . . . . . . . 4397 1 477 . 1 1 43 43 GLU H H 1 8.55 . . 1 . . . . . . . . . 4397 1 478 . 1 1 43 43 GLU HA H 1 5.63 . . 1 . . . . . . . . . 4397 1 479 . 1 1 43 43 GLU HB2 H 1 1.96 . . 1 . . . . . . . . . 4397 1 480 . 1 1 43 43 GLU HB3 H 1 1.77 . . 1 . . . . . . . . . 4397 1 481 . 1 1 43 43 GLU N N 15 121.80 . . 1 . . . . . . . . . 4397 1 482 . 1 1 43 43 GLU CA C 13 53.65 . . 1 . . . . . . . . . 4397 1 483 . 1 1 43 43 GLU CB C 13 33.22 . . 1 . . . . . . . . . 4397 1 484 . 1 1 43 43 GLU CG C 13 36.02 . . 1 . . . . . . . . . 4397 1 485 . 1 1 43 43 GLU HG2 H 1 2.72 . . 1 . . . . . . . . . 4397 1 486 . 1 1 43 43 GLU HG3 H 1 2.09 . . 1 . . . . . . . . . 4397 1 487 . 1 1 44 44 THR H H 1 8.95 . . 1 . . . . . . . . . 4397 1 488 . 1 1 44 44 THR HA H 1 5.45 . . 1 . . . . . . . . . 4397 1 489 . 1 1 44 44 THR HB H 1 4.86 . . 1 . . . . . . . . . 4397 1 490 . 1 1 44 44 THR N N 15 116.31 . . 1 . . . . . . . . . 4397 1 491 . 1 1 44 44 THR CA C 13 60.17 . . 1 . . . . . . . . . 4397 1 492 . 1 1 44 44 THR CB C 13 72.38 . . 1 . . . . . . . . . 4397 1 493 . 1 1 44 44 THR CG2 C 13 22.40 . . 1 . . . . . . . . . 4397 1 494 . 1 1 44 44 THR HG21 H 1 1.35 . . 1 . . . . . . . . . 4397 1 495 . 1 1 44 44 THR HG22 H 1 1.35 . . 1 . . . . . . . . . 4397 1 496 . 1 1 44 44 THR HG23 H 1 1.35 . . 1 . . . . . . . . . 4397 1 497 . 1 1 45 45 ARG H H 1 8.65 . . 1 . . . . . . . . . 4397 1 498 . 1 1 45 45 ARG HA H 1 3.77 . . 1 . . . . . . . . . 4397 1 499 . 1 1 45 45 ARG HB2 H 1 1.79 . . 2 . . . . . . . . . 4397 1 500 . 1 1 45 45 ARG N N 15 119.04 . . 1 . . . . . . . . . 4397 1 501 . 1 1 45 45 ARG CA C 13 58.81 . . 1 . . . . . . . . . 4397 1 502 . 1 1 45 45 ARG CB C 13 30.10 . . 1 . . . . . . . . . 4397 1 503 . 1 1 45 45 ARG CG C 13 27.97 . . 1 . . . . . . . . . 4397 1 504 . 1 1 45 45 ARG CD C 13 43.26 . . 1 . . . . . . . . . 4397 1 505 . 1 1 45 45 ARG NE N 15 83.54 . . 1 . . . . . . . . . 4397 1 506 . 1 1 45 45 ARG HE H 1 7.20 . . 1 . . . . . . . . . 4397 1 507 . 1 1 45 45 ARG HG2 H 1 1.58 . . 2 . . . . . . . . . 4397 1 508 . 1 1 45 45 ARG HD2 H 1 3.19 . . 2 . . . . . . . . . 4397 1 509 . 1 1 46 46 GLN H H 1 7.40 . . 1 . . . . . . . . . 4397 1 510 . 1 1 46 46 GLN HA H 1 4.27 . . 1 . . . . . . . . . 4397 1 511 . 1 1 46 46 GLN HB2 H 1 2.31 . . 1 . . . . . . . . . 4397 1 512 . 1 1 46 46 GLN HB3 H 1 1.79 . . 1 . . . . . . . . . 4397 1 513 . 1 1 46 46 GLN N N 15 114.52 . . 1 . . . . . . . . . 4397 1 514 . 1 1 46 46 GLN CA C 13 55.86 . . 1 . . . . . . . . . 4397 1 515 . 1 1 46 46 GLN CB C 13 27.99 . . 1 . . . . . . . . . 4397 1 516 . 1 1 46 46 GLN CG C 13 34.58 . . 1 . . . . . . . . . 4397 1 517 . 1 1 46 46 GLN HG2 H 1 2.42 . . 1 . . . . . . . . . 4397 1 518 . 1 1 46 46 GLN HG3 H 1 2.36 . . 1 . . . . . . . . . 4397 1 519 . 1 1 46 46 GLN NE2 N 15 112.23 . . 1 . . . . . . . . . 4397 1 520 . 1 1 46 46 GLN HE21 H 1 7.5 . . 1 . . . . . . . . . 4397 1 521 . 1 1 46 46 GLN HE22 H 1 6.74 . . 1 . . . . . . . . . 4397 1 522 . 1 1 47 47 HIS H H 1 8.40 . . 1 . . . . . . . . . 4397 1 523 . 1 1 47 47 HIS HA H 1 4.40 . . 1 . . . . . . . . . 4397 1 524 . 1 1 47 47 HIS HB2 H 1 3.33 . . 1 . . . . . . . . . 4397 1 525 . 1 1 47 47 HIS HB3 H 1 3.60 . . 1 . . . . . . . . . 4397 1 526 . 1 1 47 47 HIS N N 15 112.84 . . 1 . . . . . . . . . 4397 1 527 . 1 1 47 47 HIS CA C 13 56.84 . . 1 . . . . . . . . . 4397 1 528 . 1 1 47 47 HIS CB C 13 24.65 . . 1 . . . . . . . . . 4397 1 529 . 1 1 47 47 HIS CD2 C 13 120.20 . . 1 . . . . . . . . . 4397 1 530 . 1 1 47 47 HIS HD2 H 1 7.18 . . 1 . . . . . . . . . 4397 1 531 . 1 1 47 47 HIS HE1 H 1 8.49 . . 1 . . . . . . . . . 4397 1 532 . 1 1 48 48 ARG H H 1 7.07 . . 1 . . . . . . . . . 4397 1 533 . 1 1 48 48 ARG HA H 1 4.41 . . 1 . . . . . . . . . 4397 1 534 . 1 1 48 48 ARG HB2 H 1 1.72 . . 1 . . . . . . . . . 4397 1 535 . 1 1 48 48 ARG HB3 H 1 1.61 . . 1 . . . . . . . . . 4397 1 536 . 1 1 48 48 ARG N N 15 117.72 . . 1 . . . . . . . . . 4397 1 537 . 1 1 48 48 ARG CA C 13 55.07 . . 1 . . . . . . . . . 4397 1 538 . 1 1 48 48 ARG CB C 13 31.44 . . 1 . . . . . . . . . 4397 1 539 . 1 1 48 48 ARG CG C 13 27.55 . . 1 . . . . . . . . . 4397 1 540 . 1 1 48 48 ARG HG2 H 1 1.55 . . 1 . . . . . . . . . 4397 1 541 . 1 1 48 48 ARG HG3 H 1 1.39 . . 1 . . . . . . . . . 4397 1 542 . 1 1 48 48 ARG CD C 13 43.06 . . 1 . . . . . . . . . 4397 1 543 . 1 1 48 48 ARG NE N 15 84.82 . . 1 . . . . . . . . . 4397 1 544 . 1 1 48 48 ARG HE H 1 7.08 . . 1 . . . . . . . . . 4397 1 545 . 1 1 48 48 ARG HD2 H 1 3.16 . . 2 . . . . . . . . . 4397 1 546 . 1 1 49 49 LEU H H 1 7.85 . . 1 . . . . . . . . . 4397 1 547 . 1 1 49 49 LEU HA H 1 5.46 . . 1 . . . . . . . . . 4397 1 548 . 1 1 49 49 LEU HB2 H 1 1.02 . . 1 . . . . . . . . . 4397 1 549 . 1 1 49 49 LEU HB3 H 1 1.57 . . 1 . . . . . . . . . 4397 1 550 . 1 1 49 49 LEU N N 15 120.47 . . 1 . . . . . . . . . 4397 1 551 . 1 1 49 49 LEU CA C 13 53.16 . . 1 . . . . . . . . . 4397 1 552 . 1 1 49 49 LEU CB C 13 44.11 . . 1 . . . . . . . . . 4397 1 553 . 1 1 49 49 LEU CG C 13 26.87 . . 1 . . . . . . . . . 4397 1 554 . 1 1 49 49 LEU HG H 1 1.55 . . 1 . . . . . . . . . 4397 1 555 . 1 1 49 49 LEU CD1 C 13 25.33 . . 1 . . . . . . . . . 4397 1 556 . 1 1 49 49 LEU HD11 H 1 0.75 . . 1 . . . . . . . . . 4397 1 557 . 1 1 49 49 LEU HD12 H 1 0.75 . . 1 . . . . . . . . . 4397 1 558 . 1 1 49 49 LEU HD13 H 1 0.75 . . 1 . . . . . . . . . 4397 1 559 . 1 1 49 49 LEU CD2 C 13 22.43 . . 1 . . . . . . . . . 4397 1 560 . 1 1 49 49 LEU HD21 H 1 0.68 . . 1 . . . . . . . . . 4397 1 561 . 1 1 49 49 LEU HD22 H 1 0.68 . . 1 . . . . . . . . . 4397 1 562 . 1 1 49 49 LEU HD23 H 1 0.68 . . 1 . . . . . . . . . 4397 1 563 . 1 1 50 50 PHE H H 1 8.98 . . 1 . . . . . . . . . 4397 1 564 . 1 1 50 50 PHE HA H 1 4.69 . . 1 . . . . . . . . . 4397 1 565 . 1 1 50 50 PHE HB2 H 1 3.10 . . 1 . . . . . . . . . 4397 1 566 . 1 1 50 50 PHE HB3 H 1 2.56 . . 1 . . . . . . . . . 4397 1 567 . 1 1 50 50 PHE N N 15 117.68 . . 1 . . . . . . . . . 4397 1 568 . 1 1 50 50 PHE CA C 13 56.87 . . 1 . . . . . . . . . 4397 1 569 . 1 1 50 50 PHE CB C 13 44.39 . . 1 . . . . . . . . . 4397 1 570 . 1 1 50 50 PHE CD1 C 13 131.90 . . 3 . . . . . . . . . 4397 1 571 . 1 1 50 50 PHE HD1 H 1 7.14 . . 3 . . . . . . . . . 4397 1 572 . 1 1 50 50 PHE CE1 C 13 131.26 . . 3 . . . . . . . . . 4397 1 573 . 1 1 50 50 PHE HE1 H 1 7.22 . . 3 . . . . . . . . . 4397 1 574 . 1 1 51 51 CYS H H 1 9.22 . . 1 . . . . . . . . . 4397 1 575 . 1 1 51 51 CYS HA H 1 5.11 . . 1 . . . . . . . . . 4397 1 576 . 1 1 51 51 CYS HB2 H 1 2.53 . . 1 . . . . . . . . . 4397 1 577 . 1 1 51 51 CYS HB3 H 1 3.72 . . 1 . . . . . . . . . 4397 1 578 . 1 1 51 51 CYS N N 15 120.65 . . 1 . . . . . . . . . 4397 1 579 . 1 1 51 51 CYS CA C 13 57.17 . . 1 . . . . . . . . . 4397 1 580 . 1 1 51 51 CYS CB C 13 45.77 . . 1 . . . . . . . . . 4397 1 581 . 1 1 52 52 ALA H H 1 9.81 . . 1 . . . . . . . . . 4397 1 582 . 1 1 52 52 ALA HA H 1 4.85 . . 1 . . . . . . . . . 4397 1 583 . 1 1 52 52 ALA HB1 H 1 1.08 . . 1 . . . . . . . . . 4397 1 584 . 1 1 52 52 ALA HB2 H 1 1.08 . . 1 . . . . . . . . . 4397 1 585 . 1 1 52 52 ALA HB3 H 1 1.08 . . 1 . . . . . . . . . 4397 1 586 . 1 1 52 52 ALA N N 15 127.41 . . 1 . . . . . . . . . 4397 1 587 . 1 1 52 52 ALA CA C 13 50.35 . . 1 . . . . . . . . . 4397 1 588 . 1 1 52 52 ALA CB C 13 24.30 . . 1 . . . . . . . . . 4397 1 589 . 1 1 53 53 ASP H H 1 8.68 . . 1 . . . . . . . . . 4397 1 590 . 1 1 53 53 ASP HA H 1 4.76 . . 1 . . . . . . . . . 4397 1 591 . 1 1 53 53 ASP HB2 H 1 3.05 . . 1 . . . . . . . . . 4397 1 592 . 1 1 53 53 ASP HB3 H 1 2.45 . . 1 . . . . . . . . . 4397 1 593 . 1 1 53 53 ASP N N 15 122.93 . . 1 . . . . . . . . . 4397 1 594 . 1 1 53 53 ASP CA C 13 51.07 . . 1 . . . . . . . . . 4397 1 595 . 1 1 53 53 ASP CB C 13 42.70 . . 1 . . . . . . . . . 4397 1 596 . 1 1 54 54 PRO HA H 1 3.91 . . 1 . . . . . . . . . 4397 1 597 . 1 1 54 54 PRO HB2 H 1 2.01 . . 2 . . . . . . . . . 4397 1 598 . 1 1 54 54 PRO HB3 H 1 1.88 . . 2 . . . . . . . . . 4397 1 599 . 1 1 54 54 PRO CA C 13 63.65 . . 1 . . . . . . . . . 4397 1 600 . 1 1 54 54 PRO CB C 13 31.99 . . 1 . . . . . . . . . 4397 1 601 . 1 1 54 54 PRO CG C 13 26.60 . . 1 . . . . . . . . . 4397 1 602 . 1 1 54 54 PRO CD C 13 50.82 . . 1 . . . . . . . . . 4397 1 603 . 1 1 54 54 PRO HG2 H 1 1.80 . . 2 . . . . . . . . . 4397 1 604 . 1 1 54 54 PRO HD2 H 1 4.05 . . 2 . . . . . . . . . 4397 1 605 . 1 1 55 55 LYS H H 1 8.20 . . 1 . . . . . . . . . 4397 1 606 . 1 1 55 55 LYS HA H 1 3.99 . . 1 . . . . . . . . . 4397 1 607 . 1 1 55 55 LYS HB2 H 1 1.72 . . 2 . . . . . . . . . 4397 1 608 . 1 1 55 55 LYS N N 15 115.31 . . 1 . . . . . . . . . 4397 1 609 . 1 1 55 55 LYS CA C 13 57.07 . . 1 . . . . . . . . . 4397 1 610 . 1 1 55 55 LYS CB C 13 32.28 . . 1 . . . . . . . . . 4397 1 611 . 1 1 55 55 LYS CG C 13 25.02 . . 1 . . . . . . . . . 4397 1 612 . 1 1 55 55 LYS CD C 13 29.01 . . 1 . . . . . . . . . 4397 1 613 . 1 1 55 55 LYS CE C 13 41.70 . . 1 . . . . . . . . . 4397 1 614 . 1 1 55 55 LYS HG2 H 1 1.34 . . 2 . . . . . . . . . 4397 1 615 . 1 1 55 55 LYS HD2 H 1 1.63 . . 2 . . . . . . . . . 4397 1 616 . 1 1 55 55 LYS HE2 H 1 2.96 . . 2 . . . . . . . . . 4397 1 617 . 1 1 56 56 GLU H H 1 7.56 . . 1 . . . . . . . . . 4397 1 618 . 1 1 56 56 GLU HA H 1 4.15 . . 1 . . . . . . . . . 4397 1 619 . 1 1 56 56 GLU HB2 H 1 1.97 . . 1 . . . . . . . . . 4397 1 620 . 1 1 56 56 GLU HB3 H 1 1.79 . . 1 . . . . . . . . . 4397 1 621 . 1 1 56 56 GLU N N 15 119.24 . . 1 . . . . . . . . . 4397 1 622 . 1 1 56 56 GLU CA C 13 56.24 . . 1 . . . . . . . . . 4397 1 623 . 1 1 56 56 GLU CB C 13 30.40 . . 1 . . . . . . . . . 4397 1 624 . 1 1 56 56 GLU CG C 13 37.10 . . 1 . . . . . . . . . 4397 1 625 . 1 1 56 56 GLU HG2 H 1 2.46 . . 1 . . . . . . . . . 4397 1 626 . 1 1 56 56 GLU HG3 H 1 2.25 . . 1 . . . . . . . . . 4397 1 627 . 1 1 57 57 GLN H H 1 9.02 . . 1 . . . . . . . . . 4397 1 628 . 1 1 57 57 GLN HA H 1 3.61 . . 1 . . . . . . . . . 4397 1 629 . 1 1 57 57 GLN HB2 H 1 2.13 . . 1 . . . . . . . . . 4397 1 630 . 1 1 57 57 GLN HB3 H 1 2.26 . . 1 . . . . . . . . . 4397 1 631 . 1 1 57 57 GLN N N 15 126.11 . . 1 . . . . . . . . . 4397 1 632 . 1 1 57 57 GLN CA C 13 59.09 . . 1 . . . . . . . . . 4397 1 633 . 1 1 57 57 GLN CB C 13 27.78 . . 1 . . . . . . . . . 4397 1 634 . 1 1 57 57 GLN CG C 13 33.15 . . 1 . . . . . . . . . 4397 1 635 . 1 1 57 57 GLN NE2 N 15 116.68 . . 1 . . . . . . . . . 4397 1 636 . 1 1 57 57 GLN HE21 H 1 7.93 . . 1 . . . . . . . . . 4397 1 637 . 1 1 57 57 GLN HE22 H 1 6.96 . . 1 . . . . . . . . . 4397 1 638 . 1 1 57 57 GLN HG2 H 1 2.40 . . 2 . . . . . . . . . 4397 1 639 . 1 1 58 58 TRP H H 1 8.96 . . 1 . . . . . . . . . 4397 1 640 . 1 1 58 58 TRP HA H 1 4.45 . . 1 . . . . . . . . . 4397 1 641 . 1 1 58 58 TRP HB2 H 1 3.21 . . 1 . . . . . . . . . 4397 1 642 . 1 1 58 58 TRP HB3 H 1 3.50 . . 1 . . . . . . . . . 4397 1 643 . 1 1 58 58 TRP N N 15 115.75 . . 1 . . . . . . . . . 4397 1 644 . 1 1 58 58 TRP CA C 13 59.53 . . 1 . . . . . . . . . 4397 1 645 . 1 1 58 58 TRP CB C 13 26.45 . . 1 . . . . . . . . . 4397 1 646 . 1 1 58 58 TRP CD1 C 13 128.40 . . 1 . . . . . . . . . 4397 1 647 . 1 1 58 58 TRP HD1 H 1 7.62 . . 1 . . . . . . . . . 4397 1 648 . 1 1 58 58 TRP NE1 N 15 130.80 . . 1 . . . . . . . . . 4397 1 649 . 1 1 58 58 TRP HE1 H 1 10.31 . . 1 . . . . . . . . . 4397 1 650 . 1 1 58 58 TRP CE3 C 13 121.49 . . 1 . . . . . . . . . 4397 1 651 . 1 1 58 58 TRP HE3 H 1 7.32 . . 1 . . . . . . . . . 4397 1 652 . 1 1 58 58 TRP CZ2 C 13 116.16 . . 1 . . . . . . . . . 4397 1 653 . 1 1 58 58 TRP HZ2 H 1 7.32 . . 1 . . . . . . . . . 4397 1 654 . 1 1 58 58 TRP CZ3 C 13 119.67 . . 1 . . . . . . . . . 4397 1 655 . 1 1 58 58 TRP HZ3 H 1 6.67 . . 1 . . . . . . . . . 4397 1 656 . 1 1 58 58 TRP CH2 C 13 124.21 . . 1 . . . . . . . . . 4397 1 657 . 1 1 58 58 TRP HH2 H 1 6.57 . . 1 . . . . . . . . . 4397 1 658 . 1 1 59 59 VAL H H 1 6.18 . . 1 . . . . . . . . . 4397 1 659 . 1 1 59 59 VAL HA H 1 2.56 . . 1 . . . . . . . . . 4397 1 660 . 1 1 59 59 VAL HB H 1 1.71 . . 1 . . . . . . . . . 4397 1 661 . 1 1 59 59 VAL N N 15 125.63 . . 1 . . . . . . . . . 4397 1 662 . 1 1 59 59 VAL CA C 13 65.60 . . 1 . . . . . . . . . 4397 1 663 . 1 1 59 59 VAL CB C 13 30.77 . . 1 . . . . . . . . . 4397 1 664 . 1 1 59 59 VAL CG1 C 13 21.19 . . 1 . . . . . . . . . 4397 1 665 . 1 1 59 59 VAL HG11 H 1 0.22 . . 1 . . . . . . . . . 4397 1 666 . 1 1 59 59 VAL HG12 H 1 0.22 . . 1 . . . . . . . . . 4397 1 667 . 1 1 59 59 VAL HG13 H 1 0.22 . . 1 . . . . . . . . . 4397 1 668 . 1 1 59 59 VAL CG2 C 13 21.90 . . 1 . . . . . . . . . 4397 1 669 . 1 1 60 60 LYS H H 1 7.30 . . 1 . . . . . . . . . 4397 1 670 . 1 1 60 60 LYS HA H 1 3.79 . . 1 . . . . . . . . . 4397 1 671 . 1 1 60 60 LYS HB2 H 1 1.78 . . 1 . . . . . . . . . 4397 1 672 . 1 1 60 60 LYS HB3 H 1 1.72 . . 1 . . . . . . . . . 4397 1 673 . 1 1 60 60 LYS N N 15 120.90 . . 1 . . . . . . . . . 4397 1 674 . 1 1 60 60 LYS CA C 13 60.14 . . 1 . . . . . . . . . 4397 1 675 . 1 1 60 60 LYS CB C 13 31.99 . . 1 . . . . . . . . . 4397 1 676 . 1 1 60 60 LYS CG C 13 25.14 . . 1 . . . . . . . . . 4397 1 677 . 1 1 60 60 LYS HG2 H 1 1.37 . . 1 . . . . . . . . . 4397 1 678 . 1 1 60 60 LYS HG3 H 1 1.19 . . 1 . . . . . . . . . 4397 1 679 . 1 1 60 60 LYS CD C 13 29.73 . . 1 . . . . . . . . . 4397 1 680 . 1 1 60 60 LYS HD2 H 1 1.55 . . 1 . . . . . . . . . 4397 1 681 . 1 1 60 60 LYS HD3 H 1 1.41 . . 1 . . . . . . . . . 4397 1 682 . 1 1 60 60 LYS CE C 13 41.93 . . 1 . . . . . . . . . 4397 1 683 . 1 1 60 60 LYS HE2 H 1 2.80 . . 2 . . . . . . . . . 4397 1 684 . 1 1 61 61 ASP H H 1 8.70 . . 1 . . . . . . . . . 4397 1 685 . 1 1 61 61 ASP HA H 1 4.30 . . 1 . . . . . . . . . 4397 1 686 . 1 1 61 61 ASP HB2 H 1 2.72 . . 1 . . . . . . . . . 4397 1 687 . 1 1 61 61 ASP HB3 H 1 2.67 . . 1 . . . . . . . . . 4397 1 688 . 1 1 61 61 ASP N N 15 119.28 . . 1 . . . . . . . . . 4397 1 689 . 1 1 61 61 ASP CA C 13 57.15 . . 1 . . . . . . . . . 4397 1 690 . 1 1 61 61 ASP CB C 13 40.19 . . 1 . . . . . . . . . 4397 1 691 . 1 1 62 62 ALA H H 1 8.07 . . 1 . . . . . . . . . 4397 1 692 . 1 1 62 62 ALA HA H 1 4.01 . . 1 . . . . . . . . . 4397 1 693 . 1 1 62 62 ALA HB1 H 1 1.42 . . 1 . . . . . . . . . 4397 1 694 . 1 1 62 62 ALA HB2 H 1 1.42 . . 1 . . . . . . . . . 4397 1 695 . 1 1 62 62 ALA HB3 H 1 1.42 . . 1 . . . . . . . . . 4397 1 696 . 1 1 62 62 ALA N N 15 124.99 . . 1 . . . . . . . . . 4397 1 697 . 1 1 62 62 ALA CA C 13 55.57 . . 1 . . . . . . . . . 4397 1 698 . 1 1 62 62 ALA CB C 13 17.21 . . 1 . . . . . . . . . 4397 1 699 . 1 1 63 63 MET H H 1 8.24 . . 1 . . . . . . . . . 4397 1 700 . 1 1 63 63 MET HA H 1 3.36 . . 1 . . . . . . . . . 4397 1 701 . 1 1 63 63 MET HB2 H 1 1.51 . . 1 . . . . . . . . . 4397 1 702 . 1 1 63 63 MET HB3 H 1 1.86 . . 1 . . . . . . . . . 4397 1 703 . 1 1 63 63 MET N N 15 116.83 . . 1 . . . . . . . . . 4397 1 704 . 1 1 63 63 MET CA C 13 59.83 . . 1 . . . . . . . . . 4397 1 705 . 1 1 63 63 MET CB C 13 33.82 . . 1 . . . . . . . . . 4397 1 706 . 1 1 63 63 MET CG C 13 29.71 . . 1 . . . . . . . . . 4397 1 707 . 1 1 63 63 MET HG2 H 1 2.03 . . 1 . . . . . . . . . 4397 1 708 . 1 1 63 63 MET HG3 H 1 0.43 . . 1 . . . . . . . . . 4397 1 709 . 1 1 63 63 MET CE C 13 15.66 . . 1 . . . . . . . . . 4397 1 710 . 1 1 63 63 MET HE1 H 1 1.75 . . 1 . . . . . . . . . 4397 1 711 . 1 1 63 63 MET HE2 H 1 1.75 . . 1 . . . . . . . . . 4397 1 712 . 1 1 63 63 MET HE3 H 1 1.75 . . 1 . . . . . . . . . 4397 1 713 . 1 1 64 64 GLN H H 1 7.71 . . 1 . . . . . . . . . 4397 1 714 . 1 1 64 64 GLN HA H 1 4.06 . . 1 . . . . . . . . . 4397 1 715 . 1 1 64 64 GLN HB2 H 1 2.13 . . 2 . . . . . . . . . 4397 1 716 . 1 1 64 64 GLN N N 15 116.69 . . 1 . . . . . . . . . 4397 1 717 . 1 1 64 64 GLN CA C 13 59.20 . . 1 . . . . . . . . . 4397 1 718 . 1 1 64 64 GLN CB C 13 28.58 . . 1 . . . . . . . . . 4397 1 719 . 1 1 64 64 GLN CG C 13 34.17 . . 1 . . . . . . . . . 4397 1 720 . 1 1 64 64 GLN HG2 H 1 2.51 . . 1 . . . . . . . . . 4397 1 721 . 1 1 64 64 GLN HG3 H 1 2.31 . . 1 . . . . . . . . . 4397 1 722 . 1 1 64 64 GLN NE2 N 15 111.71 . . 1 . . . . . . . . . 4397 1 723 . 1 1 64 64 GLN HE21 H 1 7.4 . . 1 . . . . . . . . . 4397 1 724 . 1 1 64 64 GLN HE22 H 1 6.85 . . 1 . . . . . . . . . 4397 1 725 . 1 1 65 65 HIS H H 1 8.13 . . 1 . . . . . . . . . 4397 1 726 . 1 1 65 65 HIS HA H 1 4.19 . . 1 . . . . . . . . . 4397 1 727 . 1 1 65 65 HIS HB2 H 1 3.35 . . 1 . . . . . . . . . 4397 1 728 . 1 1 65 65 HIS HB3 H 1 3.28 . . 1 . . . . . . . . . 4397 1 729 . 1 1 65 65 HIS N N 15 117.95 . . 1 . . . . . . . . . 4397 1 730 . 1 1 65 65 HIS CA C 13 59.70 . . 1 . . . . . . . . . 4397 1 731 . 1 1 65 65 HIS CB C 13 29.08 . . 1 . . . . . . . . . 4397 1 732 . 1 1 65 65 HIS CD2 C 13 119.61 . . 1 . . . . . . . . . 4397 1 733 . 1 1 65 65 HIS HD2 H 1 6.93 . . 1 . . . . . . . . . 4397 1 734 . 1 1 65 65 HIS HE1 H 1 8.30 . . 1 . . . . . . . . . 4397 1 735 . 1 1 66 66 LEU H H 1 8.53 . . 1 . . . . . . . . . 4397 1 736 . 1 1 66 66 LEU HA H 1 4.03 . . 1 . . . . . . . . . 4397 1 737 . 1 1 66 66 LEU HB2 H 1 1.69 . . 1 . . . . . . . . . 4397 1 738 . 1 1 66 66 LEU HB3 H 1 2.11 . . 1 . . . . . . . . . 4397 1 739 . 1 1 66 66 LEU N N 15 120.72 . . 1 . . . . . . . . . 4397 1 740 . 1 1 66 66 LEU CA C 13 58.06 . . 1 . . . . . . . . . 4397 1 741 . 1 1 66 66 LEU CB C 13 41.22 . . 1 . . . . . . . . . 4397 1 742 . 1 1 66 66 LEU CG C 13 27.86 . . 1 . . . . . . . . . 4397 1 743 . 1 1 66 66 LEU HG H 1 1.87 . . 1 . . . . . . . . . 4397 1 744 . 1 1 66 66 LEU CD1 C 13 26.04 . . 1 . . . . . . . . . 4397 1 745 . 1 1 66 66 LEU HD11 H 1 0.82 . . 1 . . . . . . . . . 4397 1 746 . 1 1 66 66 LEU HD12 H 1 0.82 . . 1 . . . . . . . . . 4397 1 747 . 1 1 66 66 LEU HD13 H 1 0.82 . . 1 . . . . . . . . . 4397 1 748 . 1 1 66 66 LEU CD2 C 13 22.69 . . 1 . . . . . . . . . 4397 1 749 . 1 1 66 66 LEU HD21 H 1 0.76 . . 1 . . . . . . . . . 4397 1 750 . 1 1 66 66 LEU HD22 H 1 0.76 . . 1 . . . . . . . . . 4397 1 751 . 1 1 66 66 LEU HD23 H 1 0.76 . . 1 . . . . . . . . . 4397 1 752 . 1 1 67 67 ASP H H 1 8.92 . . 1 . . . . . . . . . 4397 1 753 . 1 1 67 67 ASP HA H 1 4.53 . . 1 . . . . . . . . . 4397 1 754 . 1 1 67 67 ASP HB2 H 1 2.68 . . 1 . . . . . . . . . 4397 1 755 . 1 1 67 67 ASP HB3 H 1 2.89 . . 1 . . . . . . . . . 4397 1 756 . 1 1 67 67 ASP N N 15 122.12 . . 1 . . . . . . . . . 4397 1 757 . 1 1 67 67 ASP CA C 13 57.20 . . 1 . . . . . . . . . 4397 1 758 . 1 1 67 67 ASP CB C 13 39.81 . . 1 . . . . . . . . . 4397 1 759 . 1 1 68 68 ARG H H 1 7.92 . . 1 . . . . . . . . . 4397 1 760 . 1 1 68 68 ARG HA H 1 4.12 . . 1 . . . . . . . . . 4397 1 761 . 1 1 68 68 ARG HB2 H 1 1.88 . . 2 . . . . . . . . . 4397 1 762 . 1 1 68 68 ARG N N 15 120.26 . . 1 . . . . . . . . . 4397 1 763 . 1 1 68 68 ARG CA C 13 58.62 . . 1 . . . . . . . . . 4397 1 764 . 1 1 68 68 ARG CB C 13 29.98 . . 1 . . . . . . . . . 4397 1 765 . 1 1 68 68 ARG CG C 13 27.59 . . 1 . . . . . . . . . 4397 1 766 . 1 1 68 68 ARG HG2 H 1 1.81 . . 1 . . . . . . . . . 4397 1 767 . 1 1 68 68 ARG HG3 H 1 1.64 . . 1 . . . . . . . . . 4397 1 768 . 1 1 68 68 ARG CD C 13 43.33 . . 1 . . . . . . . . . 4397 1 769 . 1 1 68 68 ARG NE N 15 84.61 . . 1 . . . . . . . . . 4397 1 770 . 1 1 68 68 ARG HE H 1 7.23 . . 1 . . . . . . . . . 4397 1 771 . 1 1 68 68 ARG HD2 H 1 3.15 . . 2 . . . . . . . . . 4397 1 772 . 1 1 69 69 GLN H H 1 7.90 . . 1 . . . . . . . . . 4397 1 773 . 1 1 69 69 GLN HA H 1 4.09 . . 1 . . . . . . . . . 4397 1 774 . 1 1 69 69 GLN HB2 H 1 2.12 . . 1 . . . . . . . . . 4397 1 775 . 1 1 69 69 GLN HB3 H 1 2.04 . . 1 . . . . . . . . . 4397 1 776 . 1 1 69 69 GLN N N 15 119.20 . . 1 . . . . . . . . . 4397 1 777 . 1 1 69 69 GLN CA C 13 57.57 . . 1 . . . . . . . . . 4397 1 778 . 1 1 69 69 GLN CB C 13 29.06 . . 1 . . . . . . . . . 4397 1 779 . 1 1 69 69 GLN CG C 13 33.92 . . 1 . . . . . . . . . 4397 1 780 . 1 1 69 69 GLN HG2 H 1 2.32 . . 1 . . . . . . . . . 4397 1 781 . 1 1 69 69 GLN HG3 H 1 2.27 . . 1 . . . . . . . . . 4397 1 782 . 1 1 69 69 GLN NE2 N 15 111.51 . . 1 . . . . . . . . . 4397 1 783 . 1 1 69 69 GLN HE21 H 1 7.4 . . 1 . . . . . . . . . 4397 1 784 . 1 1 69 69 GLN HE22 H 1 6.90 . . 1 . . . . . . . . . 4397 1 785 . 1 1 70 70 ALA H H 1 7.94 . . 1 . . . . . . . . . 4397 1 786 . 1 1 70 70 ALA HA H 1 4.22 . . 1 . . . . . . . . . 4397 1 787 . 1 1 70 70 ALA HB1 H 1 1.51 . . 1 . . . . . . . . . 4397 1 788 . 1 1 70 70 ALA HB2 H 1 1.51 . . 1 . . . . . . . . . 4397 1 789 . 1 1 70 70 ALA HB3 H 1 1.51 . . 1 . . . . . . . . . 4397 1 790 . 1 1 70 70 ALA N N 15 122.17 . . 1 . . . . . . . . . 4397 1 791 . 1 1 70 70 ALA CA C 13 53.94 . . 1 . . . . . . . . . 4397 1 792 . 1 1 70 70 ALA CB C 13 18.51 . . 1 . . . . . . . . . 4397 1 793 . 1 1 71 71 ALA H H 1 7.87 . . 1 . . . . . . . . . 4397 1 794 . 1 1 71 71 ALA HA H 1 4.21 . . 1 . . . . . . . . . 4397 1 795 . 1 1 71 71 ALA HB1 H 1 1.43 . . 1 . . . . . . . . . 4397 1 796 . 1 1 71 71 ALA HB2 H 1 1.43 . . 1 . . . . . . . . . 4397 1 797 . 1 1 71 71 ALA HB3 H 1 1.43 . . 1 . . . . . . . . . 4397 1 798 . 1 1 71 71 ALA N N 15 120.99 . . 1 . . . . . . . . . 4397 1 799 . 1 1 71 71 ALA CA C 13 53.36 . . 1 . . . . . . . . . 4397 1 800 . 1 1 71 71 ALA CB C 13 18.60 . . 1 . . . . . . . . . 4397 1 801 . 1 1 72 72 ALA H H 1 7.79 . . 1 . . . . . . . . . 4397 1 802 . 1 1 72 72 ALA HA H 1 4.22 . . 1 . . . . . . . . . 4397 1 803 . 1 1 72 72 ALA HB1 H 1 1.41 . . 1 . . . . . . . . . 4397 1 804 . 1 1 72 72 ALA HB2 H 1 1.41 . . 1 . . . . . . . . . 4397 1 805 . 1 1 72 72 ALA HB3 H 1 1.41 . . 1 . . . . . . . . . 4397 1 806 . 1 1 72 72 ALA N N 15 121.01 . . 1 . . . . . . . . . 4397 1 807 . 1 1 72 72 ALA CA C 13 53.20 . . 1 . . . . . . . . . 4397 1 808 . 1 1 72 72 ALA CB C 13 18.65 . . 1 . . . . . . . . . 4397 1 809 . 1 1 73 73 LEU H H 1 7.85 . . 1 . . . . . . . . . 4397 1 810 . 1 1 73 73 LEU HA H 1 4.31 . . 1 . . . . . . . . . 4397 1 811 . 1 1 73 73 LEU HB2 H 1 1.74 . . 1 . . . . . . . . . 4397 1 812 . 1 1 73 73 LEU HB3 H 1 1.62 . . 1 . . . . . . . . . 4397 1 813 . 1 1 73 73 LEU N N 15 119.26 . . 1 . . . . . . . . . 4397 1 814 . 1 1 73 73 LEU CA C 13 55.66 . . 1 . . . . . . . . . 4397 1 815 . 1 1 73 73 LEU CB C 13 42.27 . . 1 . . . . . . . . . 4397 1 816 . 1 1 73 73 LEU CG C 13 26.87 . . 1 . . . . . . . . . 4397 1 817 . 1 1 73 73 LEU HG H 1 1.71 . . 1 . . . . . . . . . 4397 1 818 . 1 1 73 73 LEU CD1 C 13 24.99 . . 1 . . . . . . . . . 4397 1 819 . 1 1 73 73 LEU HD11 H 1 0.92 . . 1 . . . . . . . . . 4397 1 820 . 1 1 73 73 LEU HD12 H 1 0.92 . . 1 . . . . . . . . . 4397 1 821 . 1 1 73 73 LEU HD13 H 1 0.92 . . 1 . . . . . . . . . 4397 1 822 . 1 1 73 73 LEU CD2 C 13 23.25 . . 1 . . . . . . . . . 4397 1 823 . 1 1 73 73 LEU HD21 H 1 0.87 . . 1 . . . . . . . . . 4397 1 824 . 1 1 73 73 LEU HD22 H 1 0.87 . . 1 . . . . . . . . . 4397 1 825 . 1 1 73 73 LEU HD23 H 1 0.87 . . 1 . . . . . . . . . 4397 1 826 . 1 1 74 74 THR H H 1 7.87 . . 1 . . . . . . . . . 4397 1 827 . 1 1 74 74 THR HA H 1 4.30 . . 1 . . . . . . . . . 4397 1 828 . 1 1 74 74 THR HB H 1 4.22 . . 1 . . . . . . . . . 4397 1 829 . 1 1 74 74 THR N N 15 113.38 . . 1 . . . . . . . . . 4397 1 830 . 1 1 74 74 THR CA C 13 62.00 . . 1 . . . . . . . . . 4397 1 831 . 1 1 74 74 THR CB C 13 69.78 . . 1 . . . . . . . . . 4397 1 832 . 1 1 74 74 THR CG2 C 13 21.53 . . 1 . . . . . . . . . 4397 1 833 . 1 1 74 74 THR HG21 H 1 1.19 . . 1 . . . . . . . . . 4397 1 834 . 1 1 74 74 THR HG22 H 1 1.19 . . 1 . . . . . . . . . 4397 1 835 . 1 1 74 74 THR HG23 H 1 1.19 . . 1 . . . . . . . . . 4397 1 836 . 1 1 75 75 ARG H H 1 8.17 . . 1 . . . . . . . . . 4397 1 837 . 1 1 75 75 ARG HA H 1 4.32 . . 1 . . . . . . . . . 4397 1 838 . 1 1 75 75 ARG HB2 H 1 1.85 . . 1 . . . . . . . . . 4397 1 839 . 1 1 75 75 ARG HB3 H 1 1.77 . . 1 . . . . . . . . . 4397 1 840 . 1 1 75 75 ARG N N 15 122.87 . . 1 . . . . . . . . . 4397 1 841 . 1 1 75 75 ARG CA C 13 56.23 . . 1 . . . . . . . . . 4397 1 842 . 1 1 75 75 ARG CB C 13 30.72 . . 1 . . . . . . . . . 4397 1 843 . 1 1 75 75 ARG CG C 13 26.96 . . 1 . . . . . . . . . 4397 1 844 . 1 1 75 75 ARG CD C 13 43.28 . . 1 . . . . . . . . . 4397 1 845 . 1 1 75 75 ARG NE N 15 84.71 . . 1 . . . . . . . . . 4397 1 846 . 1 1 75 75 ARG HE H 1 7.18 . . 1 . . . . . . . . . 4397 1 847 . 1 1 75 75 ARG HG2 H 1 1.60 . . 2 . . . . . . . . . 4397 1 848 . 1 1 75 75 ARG HD2 H 1 3.17 . . 2 . . . . . . . . . 4397 1 849 . 1 1 76 76 ASN H H 1 8.44 . . 1 . . . . . . . . . 4397 1 850 . 1 1 76 76 ASN HA H 1 4.73 . . 1 . . . . . . . . . 4397 1 851 . 1 1 76 76 ASN HB2 H 1 2.82 . . 1 . . . . . . . . . 4397 1 852 . 1 1 76 76 ASN HB3 H 1 2.70 . . 1 . . . . . . . . . 4397 1 853 . 1 1 76 76 ASN N N 15 120.17 . . 1 . . . . . . . . . 4397 1 854 . 1 1 76 76 ASN CA C 13 53.26 . . 1 . . . . . . . . . 4397 1 855 . 1 1 76 76 ASN CB C 13 39.21 . . 1 . . . . . . . . . 4397 1 856 . 1 1 76 76 ASN ND2 N 15 112.90 . . 1 . . . . . . . . . 4397 1 857 . 1 1 76 76 ASN HD21 H 1 7.59 . . 1 . . . . . . . . . 4397 1 858 . 1 1 76 76 ASN HD22 H 1 6.86 . . 1 . . . . . . . . . 4397 1 859 . 1 1 77 77 GLY H H 1 7.94 . . 1 . . . . . . . . . 4397 1 860 . 1 1 77 77 GLY HA2 H 1 3.72 . . 1 . . . . . . . . . 4397 1 861 . 1 1 77 77 GLY N N 15 115.41 . . 1 . . . . . . . . . 4397 1 862 . 1 1 77 77 GLY CA C 13 46.21 . . 1 . . . . . . . . . 4397 1 stop_ save_