data_1198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1198 _Entry.Title ; Three-Dimensional Structure of an alpha-Amylase Inhibitor HAIM as Determined by Nuclear Magnetic Resonance Methods ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Mayumi Yoshida . . . 1198 2 Takahisa Nakai . . . 1198 3 Kenichi Fukuhara . . . 1198 4 Shin Saitoh . . . 1198 5 Wataru Yoshikawa . . . 1198 6 Yuji Kobayashi . . . 1198 7 Haruki Nakamura . . . 1198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 465 1198 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 4 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1198 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1198 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1198 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1198 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1198 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Yoshida, Mayumi, Nakai, Takahisa, Fukuhara, Kenichi, Saitoh, Shin, Yoshikawa, Wataru, Kobayashi, Yuji, Nakamura, Haruki, "Three-Dimensional Structure of an alpha-Amylase Inhibitor HAIM as Determined by Nuclear Magnetic Resonance Methods," J. Biochem. 108 (2), 158-165 (1990). ; _Citation.Title ; Three-Dimensional Structure of an alpha-Amylase Inhibitor HAIM as Determined by Nuclear Magnetic Resonance Methods ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 108 _Citation.Journal_issue 2 _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 158 _Citation.Page_last 165 _Citation.Year 1990 _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.Entry_ID _Citation_author.Citation_ID 1 Mayumi Yoshida . . . 1198 1 2 Takahisa Nakai . . . 1198 1 3 Kenichi Fukuhara . . . 1198 1 4 Shin Saitoh . . . 1198 1 5 Wataru Yoshikawa . . . 1198 1 6 Yuji Kobayashi . . . 1198 1 7 Haruki Nakamura . . . 1198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_alpha-amylase_inhibitor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_alpha-amylase_inhibitor _Assembly.Entry_ID 1198 _Assembly.ID 1 _Assembly.Name 'alpha-amylase inhibitor' _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 . _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 'alpha-amylase inhibitor' 1 $alpha-amylase_inhibitor . . . . . . . . . 1198 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'alpha-amylase inhibitor' system 1198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha-amylase_inhibitor _Entity.Sf_category entity _Entity.Sf_framecode alpha-amylase_inhibitor _Entity.Entry_ID 1198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'alpha-amylase inhibitor' _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 ; DAGNRIAAPACVHFTADWRY TFVTNDCSIDYSVTVAYGDG TDVPCRSANPGDILTFPGYG TRGNEVLGAVLCATDGSA ; _Entity.Polymer_seq_one_letter_code ; DAGNRIAAPACVHFTADWRY TFVTNDCSIDYSVTVAYGDG TDVPCRSANPGDILTFPGYG TRGNEVLGAVLCATDGSA ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAA50324 . "alpha-amylase inhibitor [Streptomyces griseosporeus]" . . . . . 100.00 120 100.00 100.00 4.18e-48 . . . . 1198 1 2 no PIR A31835 . "alpha-amylase inhibitor - Streptomyces microflavus [Streptomyces microflavus]" . . . . . 100.00 120 100.00 100.00 4.18e-48 . . . . 1198 1 3 no PRF 1104251A . "amylase alpha inhibitor [Streptomyces griseosporeus]" . . . . . 93.59 77 100.00 100.00 6.25e-44 . . . . 1198 1 4 no SP P01093 . "RecName: Full=Alpha-amylase inhibitor Haim-1; AltName: Full=Haim I" . . . . . 100.00 78 100.00 100.00 8.01e-48 . . . . 1198 1 5 no SP P20078 . "RecName: Full=Alpha-amylase inhibitor Haim-2; AltName: Full=Haim II; Flags: Precursor" . . . . . 100.00 120 100.00 100.00 4.18e-48 . . . . 1198 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'alpha-amylase inhibitor' common 1198 1 HAIM variant 1198 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 . ASP . 1198 1 2 . ALA . 1198 1 3 . GLY . 1198 1 4 . ASN . 1198 1 5 . ARG . 1198 1 6 . ILE . 1198 1 7 . ALA . 1198 1 8 . ALA . 1198 1 9 . PRO . 1198 1 10 . ALA . 1198 1 11 . CYS . 1198 1 12 . VAL . 1198 1 13 . HIS . 1198 1 14 . PHE . 1198 1 15 . THR . 1198 1 16 . ALA . 1198 1 17 . ASP . 1198 1 18 . TRP . 1198 1 19 . ARG . 1198 1 20 . TYR . 1198 1 21 . THR . 1198 1 22 . PHE . 1198 1 23 . VAL . 1198 1 24 . THR . 1198 1 25 . ASN . 1198 1 26 . ASP . 1198 1 27 . CYS . 1198 1 28 . SER . 1198 1 29 . ILE . 1198 1 30 . ASP . 1198 1 31 . TYR . 1198 1 32 . SER . 1198 1 33 . VAL . 1198 1 34 . THR . 1198 1 35 . VAL . 1198 1 36 . ALA . 1198 1 37 . TYR . 1198 1 38 . GLY . 1198 1 39 . ASP . 1198 1 40 . GLY . 1198 1 41 . THR . 1198 1 42 . ASP . 1198 1 43 . VAL . 1198 1 44 . PRO . 1198 1 45 . CYS . 1198 1 46 . ARG . 1198 1 47 . SER . 1198 1 48 . ALA . 1198 1 49 . ASN . 1198 1 50 . PRO . 1198 1 51 . GLY . 1198 1 52 . ASP . 1198 1 53 . ILE . 1198 1 54 . LEU . 1198 1 55 . THR . 1198 1 56 . PHE . 1198 1 57 . PRO . 1198 1 58 . GLY . 1198 1 59 . TYR . 1198 1 60 . GLY . 1198 1 61 . THR . 1198 1 62 . ARG . 1198 1 63 . GLY . 1198 1 64 . ASN . 1198 1 65 . GLU . 1198 1 66 . VAL . 1198 1 67 . LEU . 1198 1 68 . GLY . 1198 1 69 . ALA . 1198 1 70 . VAL . 1198 1 71 . LEU . 1198 1 72 . CYS . 1198 1 73 . ALA . 1198 1 74 . THR . 1198 1 75 . ASP . 1198 1 76 . GLY . 1198 1 77 . SER . 1198 1 78 . ALA . 1198 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 . ASP 1 1 1198 1 . ALA 2 2 1198 1 . GLY 3 3 1198 1 . ASN 4 4 1198 1 . ARG 5 5 1198 1 . ILE 6 6 1198 1 . ALA 7 7 1198 1 . ALA 8 8 1198 1 . PRO 9 9 1198 1 . ALA 10 10 1198 1 . CYS 11 11 1198 1 . VAL 12 12 1198 1 . HIS 13 13 1198 1 . PHE 14 14 1198 1 . THR 15 15 1198 1 . ALA 16 16 1198 1 . ASP 17 17 1198 1 . TRP 18 18 1198 1 . ARG 19 19 1198 1 . TYR 20 20 1198 1 . THR 21 21 1198 1 . PHE 22 22 1198 1 . VAL 23 23 1198 1 . THR 24 24 1198 1 . ASN 25 25 1198 1 . ASP 26 26 1198 1 . CYS 27 27 1198 1 . SER 28 28 1198 1 . ILE 29 29 1198 1 . ASP 30 30 1198 1 . TYR 31 31 1198 1 . SER 32 32 1198 1 . VAL 33 33 1198 1 . THR 34 34 1198 1 . VAL 35 35 1198 1 . ALA 36 36 1198 1 . TYR 37 37 1198 1 . GLY 38 38 1198 1 . ASP 39 39 1198 1 . GLY 40 40 1198 1 . THR 41 41 1198 1 . ASP 42 42 1198 1 . VAL 43 43 1198 1 . PRO 44 44 1198 1 . CYS 45 45 1198 1 . ARG 46 46 1198 1 . SER 47 47 1198 1 . ALA 48 48 1198 1 . ASN 49 49 1198 1 . PRO 50 50 1198 1 . GLY 51 51 1198 1 . ASP 52 52 1198 1 . ILE 53 53 1198 1 . LEU 54 54 1198 1 . THR 55 55 1198 1 . PHE 56 56 1198 1 . PRO 57 57 1198 1 . GLY 58 58 1198 1 . TYR 59 59 1198 1 . GLY 60 60 1198 1 . THR 61 61 1198 1 . ARG 62 62 1198 1 . GLY 63 63 1198 1 . ASN 64 64 1198 1 . GLU 65 65 1198 1 . VAL 66 66 1198 1 . LEU 67 67 1198 1 . GLY 68 68 1198 1 . ALA 69 69 1198 1 . VAL 70 70 1198 1 . LEU 71 71 1198 1 . CYS 72 72 1198 1 . ALA 73 73 1198 1 . THR 74 74 1198 1 . ASP 75 75 1198 1 . GLY 76 76 1198 1 . SER 77 77 1198 1 . ALA 78 78 1198 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 1198 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $alpha-amylase_inhibitor . 1910 organism . 'Streptomyces griseosporeus' . . . Bacteria . Streptomyces griseosporeus YM-25 . . . . . . . . . . . . . . . . . . . . 1198 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 1198 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $alpha-amylase_inhibitor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1198 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1198 _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 2.6 . na 1198 1 temperature 303 . K 1198 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1198 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 1198 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1198 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 1198 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1198 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1198 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1198 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 1198 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.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 ASP HA H 1 4.3 . . 1 . . . . . . . . 1198 1 2 . 1 1 1 1 ASP HB2 H 1 2.92 . . 2 . . . . . . . . 1198 1 3 . 1 1 1 1 ASP HB3 H 1 2.97 . . 2 . . . . . . . . 1198 1 4 . 1 1 2 2 ALA H H 1 8.7 . . 1 . . . . . . . . 1198 1 5 . 1 1 2 2 ALA HA H 1 4.36 . . 1 . . . . . . . . 1198 1 6 . 1 1 2 2 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 1198 1 7 . 1 1 2 2 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 1198 1 8 . 1 1 2 2 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 1198 1 9 . 1 1 3 3 GLY H H 1 8.25 . . 1 . . . . . . . . 1198 1 10 . 1 1 3 3 GLY HA2 H 1 3.85 . . 1 . . . . . . . . 1198 1 11 . 1 1 3 3 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 1198 1 12 . 1 1 4 4 ASN H H 1 8.18 . . 1 . . . . . . . . 1198 1 13 . 1 1 6 6 ILE H H 1 8.29 . . 1 . . . . . . . . 1198 1 14 . 1 1 6 6 ILE HA H 1 4.22 . . 1 . . . . . . . . 1198 1 15 . 1 1 6 6 ILE HB H 1 1.76 . . 1 . . . . . . . . 1198 1 16 . 1 1 6 6 ILE HG12 H 1 1.02 . . 2 . . . . . . . . 1198 1 17 . 1 1 6 6 ILE HG13 H 1 1.36 . . 2 . . . . . . . . 1198 1 18 . 1 1 6 6 ILE HG21 H 1 .8 . . 1 . . . . . . . . 1198 1 19 . 1 1 6 6 ILE HG22 H 1 .8 . . 1 . . . . . . . . 1198 1 20 . 1 1 6 6 ILE HG23 H 1 .8 . . 1 . . . . . . . . 1198 1 21 . 1 1 6 6 ILE HD11 H 1 .74 . . 1 . . . . . . . . 1198 1 22 . 1 1 6 6 ILE HD12 H 1 .74 . . 1 . . . . . . . . 1198 1 23 . 1 1 6 6 ILE HD13 H 1 .74 . . 1 . . . . . . . . 1198 1 24 . 1 1 7 7 ALA H H 1 8.27 . . 1 . . . . . . . . 1198 1 25 . 1 1 7 7 ALA HA H 1 4.11 . . 1 . . . . . . . . 1198 1 26 . 1 1 7 7 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 1198 1 27 . 1 1 7 7 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 1198 1 28 . 1 1 7 7 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 1198 1 29 . 1 1 8 8 ALA H H 1 7.82 . . 1 . . . . . . . . 1198 1 30 . 1 1 8 8 ALA HA H 1 4.12 . . 1 . . . . . . . . 1198 1 31 . 1 1 8 8 ALA HB1 H 1 .95 . . 1 . . . . . . . . 1198 1 32 . 1 1 8 8 ALA HB2 H 1 .95 . . 1 . . . . . . . . 1198 1 33 . 1 1 8 8 ALA HB3 H 1 .95 . . 1 . . . . . . . . 1198 1 34 . 1 1 9 9 PRO HA H 1 4.5 . . 1 . . . . . . . . 1198 1 35 . 1 1 9 9 PRO HB2 H 1 2.2 . . 2 . . . . . . . . 1198 1 36 . 1 1 9 9 PRO HB3 H 1 2.43 . . 2 . . . . . . . . 1198 1 37 . 1 1 9 9 PRO HG2 H 1 1.83 . . 2 . . . . . . . . 1198 1 38 . 1 1 9 9 PRO HG3 H 1 1.97 . . 2 . . . . . . . . 1198 1 39 . 1 1 9 9 PRO HD2 H 1 3.4 . . 2 . . . . . . . . 1198 1 40 . 1 1 9 9 PRO HD3 H 1 2.87 . . 2 . . . . . . . . 1198 1 41 . 1 1 10 10 ALA H H 1 8.52 . . 1 . . . . . . . . 1198 1 42 . 1 1 10 10 ALA HA H 1 4.09 . . 1 . . . . . . . . 1198 1 43 . 1 1 10 10 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 1198 1 44 . 1 1 10 10 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 1198 1 45 . 1 1 10 10 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 1198 1 46 . 1 1 11 11 CYS H H 1 7.35 . . 1 . . . . . . . . 1198 1 47 . 1 1 11 11 CYS HA H 1 4.46 . . 1 . . . . . . . . 1198 1 48 . 1 1 11 11 CYS HB2 H 1 3.02 . . 2 . . . . . . . . 1198 1 49 . 1 1 11 11 CYS HB3 H 1 3.2 . . 2 . . . . . . . . 1198 1 50 . 1 1 12 12 VAL H H 1 8.13 . . 1 . . . . . . . . 1198 1 51 . 1 1 12 12 VAL HA H 1 4.61 . . 1 . . . . . . . . 1198 1 52 . 1 1 12 12 VAL HB H 1 2.14 . . 1 . . . . . . . . 1198 1 53 . 1 1 12 12 VAL HG11 H 1 .56 . . 2 . . . . . . . . 1198 1 54 . 1 1 12 12 VAL HG12 H 1 .56 . . 2 . . . . . . . . 1198 1 55 . 1 1 12 12 VAL HG13 H 1 .56 . . 2 . . . . . . . . 1198 1 56 . 1 1 12 12 VAL HG21 H 1 .77 . . 2 . . . . . . . . 1198 1 57 . 1 1 12 12 VAL HG22 H 1 .77 . . 2 . . . . . . . . 1198 1 58 . 1 1 12 12 VAL HG23 H 1 .77 . . 2 . . . . . . . . 1198 1 59 . 1 1 13 13 HIS H H 1 8.73 . . 1 . . . . . . . . 1198 1 60 . 1 1 13 13 HIS HA H 1 5.18 . . 1 . . . . . . . . 1198 1 61 . 1 1 13 13 HIS HB2 H 1 2.97 . . 2 . . . . . . . . 1198 1 62 . 1 1 13 13 HIS HB3 H 1 3.31 . . 2 . . . . . . . . 1198 1 63 . 1 1 13 13 HIS HD2 H 1 7.27 . . 1 . . . . . . . . 1198 1 64 . 1 1 13 13 HIS HE1 H 1 8.63 . . 1 . . . . . . . . 1198 1 65 . 1 1 14 14 PHE H H 1 8.66 . . 1 . . . . . . . . 1198 1 66 . 1 1 14 14 PHE HA H 1 6.09 . . 1 . . . . . . . . 1198 1 67 . 1 1 14 14 PHE HB2 H 1 2.75 . . 2 . . . . . . . . 1198 1 68 . 1 1 14 14 PHE HB3 H 1 2.78 . . 2 . . . . . . . . 1198 1 69 . 1 1 14 14 PHE HD1 H 1 6.91 . . 1 . . . . . . . . 1198 1 70 . 1 1 14 14 PHE HD2 H 1 6.91 . . 1 . . . . . . . . 1198 1 71 . 1 1 14 14 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 1198 1 72 . 1 1 14 14 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 1198 1 73 . 1 1 14 14 PHE HZ H 1 7.26 . . 1 . . . . . . . . 1198 1 74 . 1 1 15 15 THR H H 1 8.72 . . 1 . . . . . . . . 1198 1 75 . 1 1 15 15 THR HA H 1 4.38 . . 1 . . . . . . . . 1198 1 76 . 1 1 15 15 THR HB H 1 4.1 . . 1 . . . . . . . . 1198 1 77 . 1 1 15 15 THR HG21 H 1 1.23 . . 1 . . . . . . . . 1198 1 78 . 1 1 15 15 THR HG22 H 1 1.23 . . 1 . . . . . . . . 1198 1 79 . 1 1 15 15 THR HG23 H 1 1.23 . . 1 . . . . . . . . 1198 1 80 . 1 1 16 16 ALA H H 1 9.11 . . 1 . . . . . . . . 1198 1 81 . 1 1 16 16 ALA HA H 1 5.48 . . 1 . . . . . . . . 1198 1 82 . 1 1 16 16 ALA HB1 H 1 1.66 . . 1 . . . . . . . . 1198 1 83 . 1 1 16 16 ALA HB2 H 1 1.66 . . 1 . . . . . . . . 1198 1 84 . 1 1 16 16 ALA HB3 H 1 1.66 . . 1 . . . . . . . . 1198 1 85 . 1 1 17 17 ASP H H 1 8.77 . . 1 . . . . . . . . 1198 1 86 . 1 1 17 17 ASP HA H 1 4.84 . . 1 . . . . . . . . 1198 1 87 . 1 1 17 17 ASP HB2 H 1 3.08 . . 2 . . . . . . . . 1198 1 88 . 1 1 17 17 ASP HB3 H 1 3.42 . . 2 . . . . . . . . 1198 1 89 . 1 1 18 18 TRP H H 1 8.15 . . 1 . . . . . . . . 1198 1 90 . 1 1 18 18 TRP HB2 H 1 3 . . 2 . . . . . . . . 1198 1 91 . 1 1 18 18 TRP HB3 H 1 3.11 . . 2 . . . . . . . . 1198 1 92 . 1 1 18 18 TRP HD1 H 1 7.33 . . 1 . . . . . . . . 1198 1 93 . 1 1 18 18 TRP HE3 H 1 7.24 . . 1 . . . . . . . . 1198 1 94 . 1 1 18 18 TRP HZ2 H 1 7.4 . . 1 . . . . . . . . 1198 1 95 . 1 1 18 18 TRP HZ3 H 1 6.99 . . 1 . . . . . . . . 1198 1 96 . 1 1 18 18 TRP HH2 H 1 7.11 . . 1 . . . . . . . . 1198 1 97 . 1 1 19 19 ARG H H 1 6.92 . . 1 . . . . . . . . 1198 1 98 . 1 1 19 19 ARG HA H 1 3.33 . . 1 . . . . . . . . 1198 1 99 . 1 1 19 19 ARG HB2 H 1 .12 . . 2 . . . . . . . . 1198 1 100 . 1 1 19 19 ARG HB3 H 1 .67 . . 2 . . . . . . . . 1198 1 101 . 1 1 19 19 ARG HG2 H 1 .01 . . 2 . . . . . . . . 1198 1 102 . 1 1 19 19 ARG HG3 H 1 .27 . . 2 . . . . . . . . 1198 1 103 . 1 1 19 19 ARG HD2 H 1 2.56 . . 1 . . . . . . . . 1198 1 104 . 1 1 19 19 ARG HD3 H 1 2.56 . . 1 . . . . . . . . 1198 1 105 . 1 1 19 19 ARG HE H 1 6.73 . . 1 . . . . . . . . 1198 1 106 . 1 1 20 20 TYR H H 1 7.56 . . 1 . . . . . . . . 1198 1 107 . 1 1 20 20 TYR HA H 1 5.15 . . 1 . . . . . . . . 1198 1 108 . 1 1 20 20 TYR HB2 H 1 1.95 . . 2 . . . . . . . . 1198 1 109 . 1 1 20 20 TYR HB3 H 1 2.08 . . 2 . . . . . . . . 1198 1 110 . 1 1 20 20 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 1198 1 111 . 1 1 20 20 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 1198 1 112 . 1 1 20 20 TYR HE1 H 1 6.6 . . 1 . . . . . . . . 1198 1 113 . 1 1 20 20 TYR HE2 H 1 6.6 . . 1 . . . . . . . . 1198 1 114 . 1 1 21 21 THR H H 1 8.62 . . 1 . . . . . . . . 1198 1 115 . 1 1 21 21 THR HA H 1 4.84 . . 1 . . . . . . . . 1198 1 116 . 1 1 21 21 THR HB H 1 3.7 . . 1 . . . . . . . . 1198 1 117 . 1 1 21 21 THR HG21 H 1 1 . . 1 . . . . . . . . 1198 1 118 . 1 1 21 21 THR HG22 H 1 1 . . 1 . . . . . . . . 1198 1 119 . 1 1 21 21 THR HG23 H 1 1 . . 1 . . . . . . . . 1198 1 120 . 1 1 22 22 PHE H H 1 9.1 . . 1 . . . . . . . . 1198 1 121 . 1 1 22 22 PHE HA H 1 5.55 . . 1 . . . . . . . . 1198 1 122 . 1 1 22 22 PHE HB2 H 1 2.77 . . 2 . . . . . . . . 1198 1 123 . 1 1 22 22 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 1198 1 124 . 1 1 22 22 PHE HD1 H 1 6.92 . . 1 . . . . . . . . 1198 1 125 . 1 1 22 22 PHE HD2 H 1 6.92 . . 1 . . . . . . . . 1198 1 126 . 1 1 22 22 PHE HE1 H 1 7.08 . . 1 . . . . . . . . 1198 1 127 . 1 1 22 22 PHE HE2 H 1 7.08 . . 1 . . . . . . . . 1198 1 128 . 1 1 22 22 PHE HZ H 1 7.01 . . 1 . . . . . . . . 1198 1 129 . 1 1 23 23 VAL H H 1 9.58 . . 1 . . . . . . . . 1198 1 130 . 1 1 23 23 VAL HA H 1 5 . . 1 . . . . . . . . 1198 1 131 . 1 1 23 23 VAL HB H 1 2.02 . . 1 . . . . . . . . 1198 1 132 . 1 1 23 23 VAL HG11 H 1 .68 . . 2 . . . . . . . . 1198 1 133 . 1 1 23 23 VAL HG12 H 1 .68 . . 2 . . . . . . . . 1198 1 134 . 1 1 23 23 VAL HG13 H 1 .68 . . 2 . . . . . . . . 1198 1 135 . 1 1 23 23 VAL HG21 H 1 .74 . . 2 . . . . . . . . 1198 1 136 . 1 1 23 23 VAL HG22 H 1 .74 . . 2 . . . . . . . . 1198 1 137 . 1 1 23 23 VAL HG23 H 1 .74 . . 2 . . . . . . . . 1198 1 138 . 1 1 24 24 THR H H 1 9.16 . . 1 . . . . . . . . 1198 1 139 . 1 1 24 24 THR HA H 1 5.16 . . 1 . . . . . . . . 1198 1 140 . 1 1 24 24 THR HB H 1 3.78 . . 1 . . . . . . . . 1198 1 141 . 1 1 24 24 THR HG21 H 1 .97 . . 1 . . . . . . . . 1198 1 142 . 1 1 24 24 THR HG22 H 1 .97 . . 1 . . . . . . . . 1198 1 143 . 1 1 24 24 THR HG23 H 1 .97 . . 1 . . . . . . . . 1198 1 144 . 1 1 25 25 ASN H H 1 8.5 . . 1 . . . . . . . . 1198 1 145 . 1 1 25 25 ASN HA H 1 4.97 . . 1 . . . . . . . . 1198 1 146 . 1 1 25 25 ASN HB2 H 1 2.23 . . 2 . . . . . . . . 1198 1 147 . 1 1 25 25 ASN HB3 H 1 3.33 . . 2 . . . . . . . . 1198 1 148 . 1 1 25 25 ASN HD21 H 1 6.82 . . 2 . . . . . . . . 1198 1 149 . 1 1 25 25 ASN HD22 H 1 7.47 . . 2 . . . . . . . . 1198 1 150 . 1 1 26 26 ASP H H 1 8.57 . . 1 . . . . . . . . 1198 1 151 . 1 1 26 26 ASP HA H 1 5.34 . . 1 . . . . . . . . 1198 1 152 . 1 1 26 26 ASP HB2 H 1 2.87 . . 2 . . . . . . . . 1198 1 153 . 1 1 26 26 ASP HB3 H 1 3.32 . . 2 . . . . . . . . 1198 1 154 . 1 1 27 27 CYS H H 1 8.65 . . 1 . . . . . . . . 1198 1 155 . 1 1 27 27 CYS HA H 1 4.9 . . 1 . . . . . . . . 1198 1 156 . 1 1 27 27 CYS HB2 H 1 3.2 . . 2 . . . . . . . . 1198 1 157 . 1 1 27 27 CYS HB3 H 1 3.67 . . 2 . . . . . . . . 1198 1 158 . 1 1 28 28 SER H H 1 8.53 . . 1 . . . . . . . . 1198 1 159 . 1 1 28 28 SER HA H 1 4.45 . . 1 . . . . . . . . 1198 1 160 . 1 1 28 28 SER HB2 H 1 3.95 . . 1 . . . . . . . . 1198 1 161 . 1 1 28 28 SER HB3 H 1 3.95 . . 1 . . . . . . . . 1198 1 162 . 1 1 29 29 ILE H H 1 6.69 . . 1 . . . . . . . . 1198 1 163 . 1 1 29 29 ILE HA H 1 4.38 . . 1 . . . . . . . . 1198 1 164 . 1 1 29 29 ILE HB H 1 1.5 . . 1 . . . . . . . . 1198 1 165 . 1 1 29 29 ILE HG12 H 1 1.1 . . 2 . . . . . . . . 1198 1 166 . 1 1 29 29 ILE HG13 H 1 1.42 . . 2 . . . . . . . . 1198 1 167 . 1 1 29 29 ILE HG21 H 1 .57 . . 1 . . . . . . . . 1198 1 168 . 1 1 29 29 ILE HG22 H 1 .57 . . 1 . . . . . . . . 1198 1 169 . 1 1 29 29 ILE HG23 H 1 .57 . . 1 . . . . . . . . 1198 1 170 . 1 1 29 29 ILE HD11 H 1 .8 . . 1 . . . . . . . . 1198 1 171 . 1 1 29 29 ILE HD12 H 1 .8 . . 1 . . . . . . . . 1198 1 172 . 1 1 29 29 ILE HD13 H 1 .8 . . 1 . . . . . . . . 1198 1 173 . 1 1 30 30 ASP H H 1 8.04 . . 1 . . . . . . . . 1198 1 174 . 1 1 30 30 ASP HA H 1 4.53 . . 1 . . . . . . . . 1198 1 175 . 1 1 30 30 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 1198 1 176 . 1 1 30 30 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 1198 1 177 . 1 1 31 31 TYR H H 1 7.56 . . 1 . . . . . . . . 1198 1 178 . 1 1 31 31 TYR HA H 1 4.83 . . 1 . . . . . . . . 1198 1 179 . 1 1 31 31 TYR HB2 H 1 2.16 . . 2 . . . . . . . . 1198 1 180 . 1 1 31 31 TYR HB3 H 1 2.92 . . 2 . . . . . . . . 1198 1 181 . 1 1 31 31 TYR HD1 H 1 6.95 . . 1 . . . . . . . . 1198 1 182 . 1 1 31 31 TYR HD2 H 1 6.95 . . 1 . . . . . . . . 1198 1 183 . 1 1 31 31 TYR HE1 H 1 6.72 . . 1 . . . . . . . . 1198 1 184 . 1 1 31 31 TYR HE2 H 1 6.72 . . 1 . . . . . . . . 1198 1 185 . 1 1 32 32 SER H H 1 8.73 . . 1 . . . . . . . . 1198 1 186 . 1 1 32 32 SER HA H 1 5.1 . . 1 . . . . . . . . 1198 1 187 . 1 1 32 32 SER HB2 H 1 3.78 . . 1 . . . . . . . . 1198 1 188 . 1 1 32 32 SER HB3 H 1 3.78 . . 1 . . . . . . . . 1198 1 189 . 1 1 33 33 VAL H H 1 9.12 . . 1 . . . . . . . . 1198 1 190 . 1 1 33 33 VAL HA H 1 5.49 . . 1 . . . . . . . . 1198 1 191 . 1 1 33 33 VAL HB H 1 2.03 . . 1 . . . . . . . . 1198 1 192 . 1 1 33 33 VAL HG11 H 1 .8 . . 2 . . . . . . . . 1198 1 193 . 1 1 33 33 VAL HG12 H 1 .8 . . 2 . . . . . . . . 1198 1 194 . 1 1 33 33 VAL HG13 H 1 .8 . . 2 . . . . . . . . 1198 1 195 . 1 1 33 33 VAL HG21 H 1 .87 . . 2 . . . . . . . . 1198 1 196 . 1 1 33 33 VAL HG22 H 1 .87 . . 2 . . . . . . . . 1198 1 197 . 1 1 33 33 VAL HG23 H 1 .87 . . 2 . . . . . . . . 1198 1 198 . 1 1 34 34 THR H H 1 8.57 . . 1 . . . . . . . . 1198 1 199 . 1 1 34 34 THR HA H 1 4.37 . . 1 . . . . . . . . 1198 1 200 . 1 1 34 34 THR HB H 1 4.26 . . 1 . . . . . . . . 1198 1 201 . 1 1 34 34 THR HG21 H 1 .83 . . 1 . . . . . . . . 1198 1 202 . 1 1 34 34 THR HG22 H 1 .83 . . 1 . . . . . . . . 1198 1 203 . 1 1 34 34 THR HG23 H 1 .83 . . 1 . . . . . . . . 1198 1 204 . 1 1 35 35 VAL H H 1 7.36 . . 1 . . . . . . . . 1198 1 205 . 1 1 35 35 VAL HA H 1 3.96 . . 1 . . . . . . . . 1198 1 206 . 1 1 35 35 VAL HB H 1 1.2 . . 1 . . . . . . . . 1198 1 207 . 1 1 35 35 VAL HG11 H 1 .25 . . 2 . . . . . . . . 1198 1 208 . 1 1 35 35 VAL HG12 H 1 .25 . . 2 . . . . . . . . 1198 1 209 . 1 1 35 35 VAL HG13 H 1 .25 . . 2 . . . . . . . . 1198 1 210 . 1 1 35 35 VAL HG21 H 1 .13 . . 2 . . . . . . . . 1198 1 211 . 1 1 35 35 VAL HG22 H 1 .13 . . 2 . . . . . . . . 1198 1 212 . 1 1 35 35 VAL HG23 H 1 .13 . . 2 . . . . . . . . 1198 1 213 . 1 1 36 36 ALA H H 1 7.89 . . 1 . . . . . . . . 1198 1 214 . 1 1 36 36 ALA HA H 1 4.7 . . 1 . . . . . . . . 1198 1 215 . 1 1 36 36 ALA HB1 H 1 1.01 . . 1 . . . . . . . . 1198 1 216 . 1 1 36 36 ALA HB2 H 1 1.01 . . 1 . . . . . . . . 1198 1 217 . 1 1 36 36 ALA HB3 H 1 1.01 . . 1 . . . . . . . . 1198 1 218 . 1 1 37 37 TYR H H 1 8.98 . . 1 . . . . . . . . 1198 1 219 . 1 1 37 37 TYR HA H 1 5.1 . . 1 . . . . . . . . 1198 1 220 . 1 1 37 37 TYR HB2 H 1 2.82 . . 2 . . . . . . . . 1198 1 221 . 1 1 37 37 TYR HB3 H 1 3.38 . . 2 . . . . . . . . 1198 1 222 . 1 1 37 37 TYR HD1 H 1 6.93 . . 1 . . . . . . . . 1198 1 223 . 1 1 37 37 TYR HD2 H 1 6.93 . . 1 . . . . . . . . 1198 1 224 . 1 1 37 37 TYR HE1 H 1 6.44 . . 1 . . . . . . . . 1198 1 225 . 1 1 37 37 TYR HE2 H 1 6.44 . . 1 . . . . . . . . 1198 1 226 . 1 1 38 38 GLY H H 1 9.46 . . 1 . . . . . . . . 1198 1 227 . 1 1 38 38 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 1198 1 228 . 1 1 38 38 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 1198 1 229 . 1 1 39 39 ASP H H 1 8.24 . . 1 . . . . . . . . 1198 1 230 . 1 1 39 39 ASP HA H 1 4.65 . . 1 . . . . . . . . 1198 1 231 . 1 1 39 39 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 1198 1 232 . 1 1 39 39 ASP HB3 H 1 2.96 . . 2 . . . . . . . . 1198 1 233 . 1 1 40 40 GLY H H 1 8.03 . . 1 . . . . . . . . 1198 1 234 . 1 1 40 40 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 1198 1 235 . 1 1 40 40 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 1198 1 236 . 1 1 41 41 THR H H 1 7.43 . . 1 . . . . . . . . 1198 1 237 . 1 1 41 41 THR HA H 1 3.98 . . 1 . . . . . . . . 1198 1 238 . 1 1 41 41 THR HB H 1 3.75 . . 1 . . . . . . . . 1198 1 239 . 1 1 41 41 THR HG21 H 1 .91 . . 1 . . . . . . . . 1198 1 240 . 1 1 41 41 THR HG22 H 1 .91 . . 1 . . . . . . . . 1198 1 241 . 1 1 41 41 THR HG23 H 1 .91 . . 1 . . . . . . . . 1198 1 242 . 1 1 42 42 ASP H H 1 8.69 . . 1 . . . . . . . . 1198 1 243 . 1 1 42 42 ASP HA H 1 5.13 . . 1 . . . . . . . . 1198 1 244 . 1 1 42 42 ASP HB2 H 1 2.8 . . 2 . . . . . . . . 1198 1 245 . 1 1 42 42 ASP HB3 H 1 2.91 . . 2 . . . . . . . . 1198 1 246 . 1 1 43 43 VAL H H 1 8.67 . . 1 . . . . . . . . 1198 1 247 . 1 1 43 43 VAL HA H 1 4.8 . . 1 . . . . . . . . 1198 1 248 . 1 1 43 43 VAL HB H 1 2.47 . . 1 . . . . . . . . 1198 1 249 . 1 1 43 43 VAL HG11 H 1 1.17 . . 2 . . . . . . . . 1198 1 250 . 1 1 43 43 VAL HG12 H 1 1.17 . . 2 . . . . . . . . 1198 1 251 . 1 1 43 43 VAL HG13 H 1 1.17 . . 2 . . . . . . . . 1198 1 252 . 1 1 43 43 VAL HG21 H 1 1.21 . . 2 . . . . . . . . 1198 1 253 . 1 1 43 43 VAL HG22 H 1 1.21 . . 2 . . . . . . . . 1198 1 254 . 1 1 43 43 VAL HG23 H 1 1.21 . . 2 . . . . . . . . 1198 1 255 . 1 1 44 44 PRO HA H 1 4.32 . . 1 . . . . . . . . 1198 1 256 . 1 1 44 44 PRO HB2 H 1 1.82 . . 2 . . . . . . . . 1198 1 257 . 1 1 44 44 PRO HB3 H 1 2.43 . . 2 . . . . . . . . 1198 1 258 . 1 1 44 44 PRO HG2 H 1 1.97 . . 2 . . . . . . . . 1198 1 259 . 1 1 44 44 PRO HG3 H 1 2.11 . . 2 . . . . . . . . 1198 1 260 . 1 1 44 44 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 1198 1 261 . 1 1 44 44 PRO HD3 H 1 3.95 . . 2 . . . . . . . . 1198 1 262 . 1 1 45 45 CYS H H 1 8.36 . . 1 . . . . . . . . 1198 1 263 . 1 1 45 45 CYS HA H 1 4.85 . . 1 . . . . . . . . 1198 1 264 . 1 1 45 45 CYS HB2 H 1 2.97 . . 2 . . . . . . . . 1198 1 265 . 1 1 45 45 CYS HB3 H 1 3.15 . . 2 . . . . . . . . 1198 1 266 . 1 1 46 46 ARG H H 1 9.33 . . 1 . . . . . . . . 1198 1 267 . 1 1 46 46 ARG HA H 1 4.78 . . 1 . . . . . . . . 1198 1 268 . 1 1 46 46 ARG HB2 H 1 1.66 . . 2 . . . . . . . . 1198 1 269 . 1 1 46 46 ARG HB3 H 1 1.89 . . 2 . . . . . . . . 1198 1 270 . 1 1 46 46 ARG HG2 H 1 .87 . . 2 . . . . . . . . 1198 1 271 . 1 1 46 46 ARG HG3 H 1 1.89 . . 2 . . . . . . . . 1198 1 272 . 1 1 46 46 ARG HD2 H 1 2.91 . . 1 . . . . . . . . 1198 1 273 . 1 1 46 46 ARG HD3 H 1 2.91 . . 1 . . . . . . . . 1198 1 274 . 1 1 46 46 ARG HE H 1 7.2 . . 1 . . . . . . . . 1198 1 275 . 1 1 47 47 SER H H 1 8.52 . . 1 . . . . . . . . 1198 1 276 . 1 1 47 47 SER HA H 1 4.7 . . 1 . . . . . . . . 1198 1 277 . 1 1 47 47 SER HB2 H 1 3.7 . . 2 . . . . . . . . 1198 1 278 . 1 1 47 47 SER HB3 H 1 3.83 . . 2 . . . . . . . . 1198 1 279 . 1 1 48 48 ALA H H 1 9.27 . . 1 . . . . . . . . 1198 1 280 . 1 1 48 48 ALA HA H 1 4.89 . . 1 . . . . . . . . 1198 1 281 . 1 1 48 48 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 1198 1 282 . 1 1 48 48 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 1198 1 283 . 1 1 48 48 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 1198 1 284 . 1 1 49 49 ASN H H 1 8.55 . . 1 . . . . . . . . 1198 1 285 . 1 1 49 49 ASN HA H 1 4.83 . . 1 . . . . . . . . 1198 1 286 . 1 1 49 49 ASN HB2 H 1 2.6 . . 2 . . . . . . . . 1198 1 287 . 1 1 49 49 ASN HB3 H 1 2.72 . . 2 . . . . . . . . 1198 1 288 . 1 1 49 49 ASN HD21 H 1 6.82 . . 2 . . . . . . . . 1198 1 289 . 1 1 49 49 ASN HD22 H 1 7.48 . . 2 . . . . . . . . 1198 1 290 . 1 1 50 50 PRO HA H 1 4.1 . . 1 . . . . . . . . 1198 1 291 . 1 1 50 50 PRO HB2 H 1 1.72 . . 2 . . . . . . . . 1198 1 292 . 1 1 50 50 PRO HB3 H 1 2.42 . . 2 . . . . . . . . 1198 1 293 . 1 1 50 50 PRO HG2 H 1 1.33 . . 2 . . . . . . . . 1198 1 294 . 1 1 50 50 PRO HG3 H 1 1.83 . . 2 . . . . . . . . 1198 1 295 . 1 1 50 50 PRO HD2 H 1 3.45 . . 1 . . . . . . . . 1198 1 296 . 1 1 50 50 PRO HD3 H 1 3.45 . . 1 . . . . . . . . 1198 1 297 . 1 1 51 51 GLY H H 1 9.46 . . 1 . . . . . . . . 1198 1 298 . 1 1 51 51 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 1198 1 299 . 1 1 51 51 GLY HA3 H 1 4.22 . . 2 . . . . . . . . 1198 1 300 . 1 1 52 52 ASP H H 1 8.21 . . 1 . . . . . . . . 1198 1 301 . 1 1 52 52 ASP HA H 1 4.76 . . 1 . . . . . . . . 1198 1 302 . 1 1 52 52 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 1198 1 303 . 1 1 52 52 ASP HB3 H 1 3.07 . . 2 . . . . . . . . 1198 1 304 . 1 1 53 53 ILE H H 1 8.1 . . 1 . . . . . . . . 1198 1 305 . 1 1 53 53 ILE HA H 1 4.85 . . 1 . . . . . . . . 1198 1 306 . 1 1 53 53 ILE HB H 1 1.56 . . 1 . . . . . . . . 1198 1 307 . 1 1 53 53 ILE HG12 H 1 1.05 . . 2 . . . . . . . . 1198 1 308 . 1 1 53 53 ILE HG13 H 1 1.52 . . 2 . . . . . . . . 1198 1 309 . 1 1 53 53 ILE HG21 H 1 .7 . . 1 . . . . . . . . 1198 1 310 . 1 1 53 53 ILE HG22 H 1 .7 . . 1 . . . . . . . . 1198 1 311 . 1 1 53 53 ILE HG23 H 1 .7 . . 1 . . . . . . . . 1198 1 312 . 1 1 53 53 ILE HD11 H 1 .66 . . 1 . . . . . . . . 1198 1 313 . 1 1 53 53 ILE HD12 H 1 .66 . . 1 . . . . . . . . 1198 1 314 . 1 1 53 53 ILE HD13 H 1 .66 . . 1 . . . . . . . . 1198 1 315 . 1 1 54 54 LEU H H 1 9.68 . . 1 . . . . . . . . 1198 1 316 . 1 1 54 54 LEU HA H 1 4.67 . . 1 . . . . . . . . 1198 1 317 . 1 1 54 54 LEU HB2 H 1 1.67 . . 2 . . . . . . . . 1198 1 318 . 1 1 54 54 LEU HB3 H 1 1.77 . . 2 . . . . . . . . 1198 1 319 . 1 1 54 54 LEU HG H 1 1.65 . . 1 . . . . . . . . 1198 1 320 . 1 1 54 54 LEU HD11 H 1 .85 . . 1 . . . . . . . . 1198 1 321 . 1 1 54 54 LEU HD12 H 1 .85 . . 1 . . . . . . . . 1198 1 322 . 1 1 54 54 LEU HD13 H 1 .85 . . 1 . . . . . . . . 1198 1 323 . 1 1 54 54 LEU HD21 H 1 .85 . . 1 . . . . . . . . 1198 1 324 . 1 1 54 54 LEU HD22 H 1 .85 . . 1 . . . . . . . . 1198 1 325 . 1 1 54 54 LEU HD23 H 1 .85 . . 1 . . . . . . . . 1198 1 326 . 1 1 55 55 THR H H 1 8.27 . . 1 . . . . . . . . 1198 1 327 . 1 1 55 55 THR HA H 1 4.77 . . 1 . . . . . . . . 1198 1 328 . 1 1 55 55 THR HB H 1 3.72 . . 1 . . . . . . . . 1198 1 329 . 1 1 55 55 THR HG21 H 1 .68 . . 1 . . . . . . . . 1198 1 330 . 1 1 55 55 THR HG22 H 1 .68 . . 1 . . . . . . . . 1198 1 331 . 1 1 55 55 THR HG23 H 1 .68 . . 1 . . . . . . . . 1198 1 332 . 1 1 56 56 PHE H H 1 9.32 . . 1 . . . . . . . . 1198 1 333 . 1 1 56 56 PHE HA H 1 4.83 . . 1 . . . . . . . . 1198 1 334 . 1 1 56 56 PHE HB2 H 1 2.57 . . 2 . . . . . . . . 1198 1 335 . 1 1 56 56 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 1198 1 336 . 1 1 56 56 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 1198 1 337 . 1 1 56 56 PHE HD2 H 1 7.14 . . 1 . . . . . . . . 1198 1 338 . 1 1 56 56 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 1198 1 339 . 1 1 56 56 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 1198 1 340 . 1 1 56 56 PHE HZ H 1 7.34 . . 1 . . . . . . . . 1198 1 341 . 1 1 57 57 PRO HA H 1 4.53 . . 1 . . . . . . . . 1198 1 342 . 1 1 57 57 PRO HB2 H 1 2.37 . . 2 . . . . . . . . 1198 1 343 . 1 1 57 57 PRO HB3 H 1 1.78 . . 2 . . . . . . . . 1198 1 344 . 1 1 57 57 PRO HG2 H 1 2.07 . . 2 . . . . . . . . 1198 1 345 . 1 1 57 57 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 1198 1 346 . 1 1 57 57 PRO HD2 H 1 4.05 . . 1 . . . . . . . . 1198 1 347 . 1 1 57 57 PRO HD3 H 1 4.05 . . 1 . . . . . . . . 1198 1 348 . 1 1 58 58 GLY H H 1 7.53 . . 1 . . . . . . . . 1198 1 349 . 1 1 58 58 GLY HA2 H 1 3.33 . . 2 . . . . . . . . 1198 1 350 . 1 1 58 58 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 1198 1 351 . 1 1 59 59 TYR H H 1 7.11 . . 1 . . . . . . . . 1198 1 352 . 1 1 59 59 TYR HA H 1 4.48 . . 1 . . . . . . . . 1198 1 353 . 1 1 59 59 TYR HB2 H 1 2.69 . . 2 . . . . . . . . 1198 1 354 . 1 1 59 59 TYR HB3 H 1 3.35 . . 2 . . . . . . . . 1198 1 355 . 1 1 59 59 TYR HD1 H 1 7.02 . . 1 . . . . . . . . 1198 1 356 . 1 1 59 59 TYR HD2 H 1 7.02 . . 1 . . . . . . . . 1198 1 357 . 1 1 59 59 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 1198 1 358 . 1 1 59 59 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 1198 1 359 . 1 1 60 60 GLY H H 1 8.8 . . 1 . . . . . . . . 1198 1 360 . 1 1 60 60 GLY HA2 H 1 3.7 . . 2 . . . . . . . . 1198 1 361 . 1 1 60 60 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 1198 1 362 . 1 1 61 61 THR H H 1 8.36 . . 1 . . . . . . . . 1198 1 363 . 1 1 61 61 THR HA H 1 4.48 . . 1 . . . . . . . . 1198 1 364 . 1 1 61 61 THR HB H 1 4.36 . . 1 . . . . . . . . 1198 1 365 . 1 1 61 61 THR HG21 H 1 1.02 . . 1 . . . . . . . . 1198 1 366 . 1 1 61 61 THR HG22 H 1 1.02 . . 1 . . . . . . . . 1198 1 367 . 1 1 61 61 THR HG23 H 1 1.02 . . 1 . . . . . . . . 1198 1 368 . 1 1 62 62 ARG H H 1 8.52 . . 1 . . . . . . . . 1198 1 369 . 1 1 62 62 ARG HA H 1 4.45 . . 1 . . . . . . . . 1198 1 370 . 1 1 62 62 ARG HB2 H 1 1.6 . . 2 . . . . . . . . 1198 1 371 . 1 1 62 62 ARG HB3 H 1 1.92 . . 2 . . . . . . . . 1198 1 372 . 1 1 63 63 GLY H H 1 8.31 . . 1 . . . . . . . . 1198 1 373 . 1 1 63 63 GLY HA2 H 1 3.51 . . 2 . . . . . . . . 1198 1 374 . 1 1 63 63 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 1198 1 375 . 1 1 64 64 ASN H H 1 8.08 . . 1 . . . . . . . . 1198 1 376 . 1 1 64 64 ASN HA H 1 4.73 . . 1 . . . . . . . . 1198 1 377 . 1 1 64 64 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 1198 1 378 . 1 1 64 64 ASN HB3 H 1 3.25 . . 2 . . . . . . . . 1198 1 379 . 1 1 64 64 ASN HD21 H 1 6.06 . . 2 . . . . . . . . 1198 1 380 . 1 1 64 64 ASN HD22 H 1 7.62 . . 2 . . . . . . . . 1198 1 381 . 1 1 65 65 GLU H H 1 7.77 . . 1 . . . . . . . . 1198 1 382 . 1 1 65 65 GLU HA H 1 4.28 . . 1 . . . . . . . . 1198 1 383 . 1 1 65 65 GLU HB2 H 1 1.74 . . 2 . . . . . . . . 1198 1 384 . 1 1 65 65 GLU HB3 H 1 1.93 . . 2 . . . . . . . . 1198 1 385 . 1 1 65 65 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 1198 1 386 . 1 1 65 65 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 1198 1 387 . 1 1 66 66 VAL H H 1 8.7 . . 1 . . . . . . . . 1198 1 388 . 1 1 66 66 VAL HA H 1 3.87 . . 1 . . . . . . . . 1198 1 389 . 1 1 66 66 VAL HB H 1 1.87 . . 1 . . . . . . . . 1198 1 390 . 1 1 66 66 VAL HG11 H 1 .35 . . 2 . . . . . . . . 1198 1 391 . 1 1 66 66 VAL HG12 H 1 .35 . . 2 . . . . . . . . 1198 1 392 . 1 1 66 66 VAL HG13 H 1 .35 . . 2 . . . . . . . . 1198 1 393 . 1 1 66 66 VAL HG21 H 1 .94 . . 2 . . . . . . . . 1198 1 394 . 1 1 66 66 VAL HG22 H 1 .94 . . 2 . . . . . . . . 1198 1 395 . 1 1 66 66 VAL HG23 H 1 .94 . . 2 . . . . . . . . 1198 1 396 . 1 1 67 67 LEU H H 1 8.65 . . 1 . . . . . . . . 1198 1 397 . 1 1 67 67 LEU HA H 1 4.22 . . 1 . . . . . . . . 1198 1 398 . 1 1 67 67 LEU HB2 H 1 1.25 . . 1 . . . . . . . . 1198 1 399 . 1 1 67 67 LEU HB3 H 1 1.25 . . 1 . . . . . . . . 1198 1 400 . 1 1 67 67 LEU HG H 1 1.18 . . 1 . . . . . . . . 1198 1 401 . 1 1 67 67 LEU HD11 H 1 .6 . . 1 . . . . . . . . 1198 1 402 . 1 1 67 67 LEU HD12 H 1 .6 . . 1 . . . . . . . . 1198 1 403 . 1 1 67 67 LEU HD13 H 1 .6 . . 1 . . . . . . . . 1198 1 404 . 1 1 67 67 LEU HD21 H 1 .6 . . 1 . . . . . . . . 1198 1 405 . 1 1 67 67 LEU HD22 H 1 .6 . . 1 . . . . . . . . 1198 1 406 . 1 1 67 67 LEU HD23 H 1 .6 . . 1 . . . . . . . . 1198 1 407 . 1 1 68 68 GLY H H 1 6.43 . . 1 . . . . . . . . 1198 1 408 . 1 1 68 68 GLY HA2 H 1 2.47 . . 2 . . . . . . . . 1198 1 409 . 1 1 68 68 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 1198 1 410 . 1 1 69 69 ALA H H 1 7.68 . . 1 . . . . . . . . 1198 1 411 . 1 1 69 69 ALA HA H 1 4.68 . . 1 . . . . . . . . 1198 1 412 . 1 1 69 69 ALA HB1 H 1 .94 . . 1 . . . . . . . . 1198 1 413 . 1 1 69 69 ALA HB2 H 1 .94 . . 1 . . . . . . . . 1198 1 414 . 1 1 69 69 ALA HB3 H 1 .94 . . 1 . . . . . . . . 1198 1 415 . 1 1 70 70 VAL H H 1 8.52 . . 1 . . . . . . . . 1198 1 416 . 1 1 70 70 VAL HA H 1 4.6 . . 1 . . . . . . . . 1198 1 417 . 1 1 70 70 VAL HB H 1 1.77 . . 1 . . . . . . . . 1198 1 418 . 1 1 70 70 VAL HG11 H 1 .42 . . 2 . . . . . . . . 1198 1 419 . 1 1 70 70 VAL HG12 H 1 .42 . . 2 . . . . . . . . 1198 1 420 . 1 1 70 70 VAL HG13 H 1 .42 . . 2 . . . . . . . . 1198 1 421 . 1 1 70 70 VAL HG21 H 1 .53 . . 2 . . . . . . . . 1198 1 422 . 1 1 70 70 VAL HG22 H 1 .53 . . 2 . . . . . . . . 1198 1 423 . 1 1 70 70 VAL HG23 H 1 .53 . . 2 . . . . . . . . 1198 1 424 . 1 1 71 71 LEU H H 1 8.75 . . 1 . . . . . . . . 1198 1 425 . 1 1 71 71 LEU HA H 1 4.78 . . 1 . . . . . . . . 1198 1 426 . 1 1 71 71 LEU HB2 H 1 1.42 . . 2 . . . . . . . . 1198 1 427 . 1 1 71 71 LEU HB3 H 1 1.56 . . 2 . . . . . . . . 1198 1 428 . 1 1 71 71 LEU HG H 1 1.34 . . 1 . . . . . . . . 1198 1 429 . 1 1 71 71 LEU HD11 H 1 .5 . . 2 . . . . . . . . 1198 1 430 . 1 1 71 71 LEU HD12 H 1 .5 . . 2 . . . . . . . . 1198 1 431 . 1 1 71 71 LEU HD13 H 1 .5 . . 2 . . . . . . . . 1198 1 432 . 1 1 71 71 LEU HD21 H 1 .79 . . 2 . . . . . . . . 1198 1 433 . 1 1 71 71 LEU HD22 H 1 .79 . . 2 . . . . . . . . 1198 1 434 . 1 1 71 71 LEU HD23 H 1 .79 . . 2 . . . . . . . . 1198 1 435 . 1 1 72 72 CYS H H 1 8.45 . . 1 . . . . . . . . 1198 1 436 . 1 1 72 72 CYS HA H 1 4.8 . . 1 . . . . . . . . 1198 1 437 . 1 1 72 72 CYS HB2 H 1 2.9 . . 2 . . . . . . . . 1198 1 438 . 1 1 72 72 CYS HB3 H 1 3.4 . . 2 . . . . . . . . 1198 1 439 . 1 1 73 73 ALA H H 1 8.22 . . 1 . . . . . . . . 1198 1 440 . 1 1 73 73 ALA HA H 1 4.46 . . 1 . . . . . . . . 1198 1 441 . 1 1 73 73 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 1198 1 442 . 1 1 73 73 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 1198 1 443 . 1 1 73 73 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 1198 1 444 . 1 1 74 74 THR H H 1 8.22 . . 1 . . . . . . . . 1198 1 445 . 1 1 74 74 THR HA H 1 4.36 . . 1 . . . . . . . . 1198 1 446 . 1 1 74 74 THR HB H 1 4.24 . . 1 . . . . . . . . 1198 1 447 . 1 1 74 74 THR HG21 H 1 1.18 . . 1 . . . . . . . . 1198 1 448 . 1 1 74 74 THR HG22 H 1 1.18 . . 1 . . . . . . . . 1198 1 449 . 1 1 74 74 THR HG23 H 1 1.18 . . 1 . . . . . . . . 1198 1 450 . 1 1 75 75 ASP H H 1 8.47 . . 1 . . . . . . . . 1198 1 451 . 1 1 75 75 ASP HA H 1 4.75 . . 1 . . . . . . . . 1198 1 452 . 1 1 75 75 ASP HB2 H 1 2.95 . . 1 . . . . . . . . 1198 1 453 . 1 1 75 75 ASP HB3 H 1 2.95 . . 1 . . . . . . . . 1198 1 454 . 1 1 76 76 GLY H H 1 8.36 . . 1 . . . . . . . . 1198 1 455 . 1 1 76 76 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 1198 1 456 . 1 1 76 76 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 1198 1 457 . 1 1 77 77 SER H H 1 8.07 . . 1 . . . . . . . . 1198 1 458 . 1 1 77 77 SER HA H 1 4.45 . . 1 . . . . . . . . 1198 1 459 . 1 1 77 77 SER HB2 H 1 3.55 . . 1 . . . . . . . . 1198 1 460 . 1 1 77 77 SER HB3 H 1 3.55 . . 1 . . . . . . . . 1198 1 461 . 1 1 78 78 ALA H H 1 8.2 . . 1 . . . . . . . . 1198 1 462 . 1 1 78 78 ALA HA H 1 4.3 . . 1 . . . . . . . . 1198 1 463 . 1 1 78 78 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 1198 1 464 . 1 1 78 78 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 1198 1 465 . 1 1 78 78 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 1198 1 stop_ save_