data_1495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1495 _Entry.Title ; 1H Assignments and Secondary Structure Determination of the Soybean Trypsin/Chymotrypsin Bowman-Birk Inhibitor ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _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 Milton Werner . H. . 1495 2 David Wemmer . . . 1495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 403 1495 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 5 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1495 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1495 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1495 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1495 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1495 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1495 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Werner, Milton H., Wemmer, David, "1H Assignments and Secondary Structure Determination of the Soybean Trypsin/Chymotrypsin Bowman-Birk Inhibitor," Biochemistry 30, 3356-3364 (1991). ; _Citation.Title ; 1H Assignments and Secondary Structure Determination of the Soybean Trypsin/Chymotrypsin Bowman-Birk Inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue . _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 3356 _Citation.Page_last 3364 _Citation.Year 1991 _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 Milton Werner . H. . 1495 1 2 David Wemmer . . . 1495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_soybean_proteinase_inhibitor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_soybean_proteinase_inhibitor _Assembly.Entry_ID 1495 _Assembly.ID 1 _Assembly.Name 'soybean proteinase 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 'soybean proteinase inhibitor' 1 $soybean_proteinase_inhibitor . . . . . . . . . 1495 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'soybean proteinase inhibitor' system 1495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_soybean_proteinase_inhibitor _Entity.Sf_category entity _Entity.Sf_framecode soybean_proteinase_inhibitor _Entity.Entry_ID 1495 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'soybean proteinase 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 ; DDESSKPCCDQCACTKSNPP QCRCSDMRLNSCHSACKSCI CALSYPAQCFCVDITDFCYE PCKPSEDDKEN ; _Entity.Polymer_seq_one_letter_code ; DDESSKPCCDQCACTKSNPP QCRCSDMRLNSCHSACKSCI CALSYPAQCFCVDITDFCYE PCKPSEDDKEN ; _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 71 _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 PDB 1BBI . "Three-Dimensional Structure Of Soybean Trypsin(Slash)chymotrypsin Bowman-Birk Inhibitor In Solution" . . . . . 100.00 71 100.00 100.00 2.87e-40 . . . . 1495 1 2 no PDB 1D6R . "Crystal Structure Of Cancer Chemopreventive Bowman-Birk Inhibitor In Ternary Complex With Bovine Trypsin At 2.3 A Resolution. S" . . . . . 81.69 58 100.00 100.00 3.81e-31 . . . . 1495 1 3 no PDB 1K9B . "Crystal Structure Of The Bifunctional Soybean Bowman-Birk Inhibitor At 0.28 Nm Resolution. Structural Peculiarities In A Folded" . . . . . 81.69 58 100.00 100.00 3.81e-31 . . . . 1495 1 4 no PDB 2BBI . "Three-dimensional Structure Of Soybean Trypsin(slash)chymotrypsin Bowman-birk Inhibitor In Solution" . . . . . 100.00 71 100.00 100.00 2.87e-40 . . . . 1495 1 5 no DBJ BAB86783 . "Bowman-Birk type proteinase isoinhibitor A1 [Glycine soja]" . . . . . 100.00 118 98.59 100.00 1.87e-41 . . . . 1495 1 6 no DBJ BAB86784 . "Bowman-Birk type proteinase isoinhibitor A2 [Glycine soja]" . . . . . 100.00 118 98.59 100.00 2.88e-41 . . . . 1495 1 7 no EMBL CAA29122 . "unnamed protein product [synthetic construct]" . . . . . 100.00 72 97.18 100.00 2.20e-39 . . . . 1495 1 8 no EMBL CAA48655 . "Soybean Bowman-Birk proteinase inhibitor [Glycine max]" . . . . . 100.00 110 100.00 100.00 8.90e-42 . . . . 1495 1 9 no GB AAA19574 . "Bowman-Birk protease inhibitor, partial [Glycine max]" . . . . . 56.34 41 100.00 100.00 4.01e-18 . . . . 1495 1 10 no GB AAA19613 . "Bowman-Birk protease inhibitor, partial [Glycine max]" . . . . . 59.15 42 100.00 100.00 1.42e-19 . . . . 1495 1 11 no GB AAD09816 . "Bowman-Birk proteinase inhibitor [Glycine max]" . . . . . 59.15 42 100.00 100.00 4.13e-18 . . . . 1495 1 12 no GB AAO89509 . "Bowman-Birk protease inhibitor [Glycine max]" . . . . . 100.00 110 100.00 100.00 8.90e-42 . . . . 1495 1 13 no GB AAO89510 . "Bowman-Birk protease inhibitor [Glycine microphylla]" . . . . . 100.00 111 100.00 100.00 1.04e-41 . . . . 1495 1 14 no PRF 2013215C . "Bowman-Birk protease inhibitor" . . . . . 100.00 110 100.00 100.00 8.90e-42 . . . . 1495 1 15 no REF NP_001236353 . "uncharacterized protein LOC100500067 precursor [Glycine max]" . . . . . 100.00 118 97.18 100.00 5.24e-41 . . . . 1495 1 16 no REF NP_001236987 . "uncharacterized protein LOC100305553 precursor [Glycine max]" . . . . . 100.00 118 100.00 100.00 6.96e-42 . . . . 1495 1 17 no REF NP_001238547 . "Bowman-Birk type proteinase inhibitor precursor [Glycine max]" . . . . . 100.00 110 100.00 100.00 8.90e-42 . . . . 1495 1 18 no SP P01055 . "RecName: Full=Bowman-Birk type proteinase inhibitor; Short=BBI; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 8.90e-42 . . . . 1495 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'soybean proteinase inhibitor' common 1495 1 'trypsin/chymotrypsin inhibitor (Bowman-Birk), soybean' variant 1495 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 . 1495 1 2 . ASP . 1495 1 3 . GLU . 1495 1 4 . SER . 1495 1 5 . SER . 1495 1 6 . LYS . 1495 1 7 . PRO . 1495 1 8 . CYS . 1495 1 9 . CYS . 1495 1 10 . ASP . 1495 1 11 . GLN . 1495 1 12 . CYS . 1495 1 13 . ALA . 1495 1 14 . CYS . 1495 1 15 . THR . 1495 1 16 . LYS . 1495 1 17 . SER . 1495 1 18 . ASN . 1495 1 19 . PRO . 1495 1 20 . PRO . 1495 1 21 . GLN . 1495 1 22 . CYS . 1495 1 23 . ARG . 1495 1 24 . CYS . 1495 1 25 . SER . 1495 1 26 . ASP . 1495 1 27 . MET . 1495 1 28 . ARG . 1495 1 29 . LEU . 1495 1 30 . ASN . 1495 1 31 . SER . 1495 1 32 . CYS . 1495 1 33 . HIS . 1495 1 34 . SER . 1495 1 35 . ALA . 1495 1 36 . CYS . 1495 1 37 . LYS . 1495 1 38 . SER . 1495 1 39 . CYS . 1495 1 40 . ILE . 1495 1 41 . CYS . 1495 1 42 . ALA . 1495 1 43 . LEU . 1495 1 44 . SER . 1495 1 45 . TYR . 1495 1 46 . PRO . 1495 1 47 . ALA . 1495 1 48 . GLN . 1495 1 49 . CYS . 1495 1 50 . PHE . 1495 1 51 . CYS . 1495 1 52 . VAL . 1495 1 53 . ASP . 1495 1 54 . ILE . 1495 1 55 . THR . 1495 1 56 . ASP . 1495 1 57 . PHE . 1495 1 58 . CYS . 1495 1 59 . TYR . 1495 1 60 . GLU . 1495 1 61 . PRO . 1495 1 62 . CYS . 1495 1 63 . LYS . 1495 1 64 . PRO . 1495 1 65 . SER . 1495 1 66 . GLU . 1495 1 67 . ASP . 1495 1 68 . ASP . 1495 1 69 . LYS . 1495 1 70 . GLU . 1495 1 71 . ASN . 1495 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 1495 1 . ASP 2 2 1495 1 . GLU 3 3 1495 1 . SER 4 4 1495 1 . SER 5 5 1495 1 . LYS 6 6 1495 1 . PRO 7 7 1495 1 . CYS 8 8 1495 1 . CYS 9 9 1495 1 . ASP 10 10 1495 1 . GLN 11 11 1495 1 . CYS 12 12 1495 1 . ALA 13 13 1495 1 . CYS 14 14 1495 1 . THR 15 15 1495 1 . LYS 16 16 1495 1 . SER 17 17 1495 1 . ASN 18 18 1495 1 . PRO 19 19 1495 1 . PRO 20 20 1495 1 . GLN 21 21 1495 1 . CYS 22 22 1495 1 . ARG 23 23 1495 1 . CYS 24 24 1495 1 . SER 25 25 1495 1 . ASP 26 26 1495 1 . MET 27 27 1495 1 . ARG 28 28 1495 1 . LEU 29 29 1495 1 . ASN 30 30 1495 1 . SER 31 31 1495 1 . CYS 32 32 1495 1 . HIS 33 33 1495 1 . SER 34 34 1495 1 . ALA 35 35 1495 1 . CYS 36 36 1495 1 . LYS 37 37 1495 1 . SER 38 38 1495 1 . CYS 39 39 1495 1 . ILE 40 40 1495 1 . CYS 41 41 1495 1 . ALA 42 42 1495 1 . LEU 43 43 1495 1 . SER 44 44 1495 1 . TYR 45 45 1495 1 . PRO 46 46 1495 1 . ALA 47 47 1495 1 . GLN 48 48 1495 1 . CYS 49 49 1495 1 . PHE 50 50 1495 1 . CYS 51 51 1495 1 . VAL 52 52 1495 1 . ASP 53 53 1495 1 . ILE 54 54 1495 1 . THR 55 55 1495 1 . ASP 56 56 1495 1 . PHE 57 57 1495 1 . CYS 58 58 1495 1 . TYR 59 59 1495 1 . GLU 60 60 1495 1 . PRO 61 61 1495 1 . CYS 62 62 1495 1 . LYS 63 63 1495 1 . PRO 64 64 1495 1 . SER 65 65 1495 1 . GLU 66 66 1495 1 . ASP 67 67 1495 1 . ASP 68 68 1495 1 . LYS 69 69 1495 1 . GLU 70 70 1495 1 . ASN 71 71 1495 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 1495 _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 $soybean_proteinase_inhibitor . 3847 organism . 'Glycine max' soybean . . Eukaryota Viridiplantae Glycine max generic . . . . . . . . . . . . . . . . . . . . 1495 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 1495 _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 $soybean_proteinase_inhibitor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1495 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1495 _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 1495 _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 5.7 . na 1495 1 temperature 308 . K 1495 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 1495 _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 1495 _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' . . 1495 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 1495 _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 . . . . . . . . . . . . . . . . 1495 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 1495 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1495 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 1495 _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 . 1495 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 4.24 . . 1 . . . . . . . . 1495 1 2 . 1 1 1 1 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 1495 1 3 . 1 1 1 1 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 1495 1 4 . 1 1 2 2 ASP H H 1 8.66 . . 1 . . . . . . . . 1495 1 5 . 1 1 2 2 ASP HA H 1 4.67 . . 1 . . . . . . . . 1495 1 6 . 1 1 2 2 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 1495 1 7 . 1 1 2 2 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 1495 1 8 . 1 1 3 3 GLU H H 1 8.6 . . 1 . . . . . . . . 1495 1 9 . 1 1 3 3 GLU HA H 1 4.26 . . 1 . . . . . . . . 1495 1 10 . 1 1 3 3 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 1495 1 11 . 1 1 3 3 GLU HB3 H 1 2 . . 2 . . . . . . . . 1495 1 12 . 1 1 3 3 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 1495 1 13 . 1 1 3 3 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 1495 1 14 . 1 1 4 4 SER H H 1 8.35 . . 1 . . . . . . . . 1495 1 15 . 1 1 4 4 SER HA H 1 4.39 . . 1 . . . . . . . . 1495 1 16 . 1 1 4 4 SER HB2 H 1 3.96 . . 1 . . . . . . . . 1495 1 17 . 1 1 4 4 SER HB3 H 1 3.96 . . 1 . . . . . . . . 1495 1 18 . 1 1 5 5 SER H H 1 8.05 . . 1 . . . . . . . . 1495 1 19 . 1 1 5 5 SER HA H 1 4.5 . . 1 . . . . . . . . 1495 1 20 . 1 1 5 5 SER HB2 H 1 3.91 . . 2 . . . . . . . . 1495 1 21 . 1 1 5 5 SER HB3 H 1 3.87 . . 2 . . . . . . . . 1495 1 22 . 1 1 6 6 LYS H H 1 7.85 . . 1 . . . . . . . . 1495 1 23 . 1 1 6 6 LYS HA H 1 4.46 . . 1 . . . . . . . . 1495 1 24 . 1 1 6 6 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 1495 1 25 . 1 1 6 6 LYS HB3 H 1 1.67 . . 2 . . . . . . . . 1495 1 26 . 1 1 6 6 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 1495 1 27 . 1 1 6 6 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 1495 1 28 . 1 1 6 6 LYS HD2 H 1 2.96 . . 1 . . . . . . . . 1495 1 29 . 1 1 6 6 LYS HD3 H 1 2.96 . . 1 . . . . . . . . 1495 1 30 . 1 1 7 7 PRO HA H 1 3.48 . . 1 . . . . . . . . 1495 1 31 . 1 1 7 7 PRO HB2 H 1 1.01 . . 2 . . . . . . . . 1495 1 32 . 1 1 7 7 PRO HB3 H 1 .59 . . 2 . . . . . . . . 1495 1 33 . 1 1 7 7 PRO HG2 H 1 1.63 . . 2 . . . . . . . . 1495 1 34 . 1 1 7 7 PRO HG3 H 1 1.56 . . 2 . . . . . . . . 1495 1 35 . 1 1 7 7 PRO HD2 H 1 3.69 . . 2 . . . . . . . . 1495 1 36 . 1 1 7 7 PRO HD3 H 1 3.4 . . 2 . . . . . . . . 1495 1 37 . 1 1 8 8 CYS H H 1 6.99 . . 1 . . . . . . . . 1495 1 38 . 1 1 8 8 CYS HA H 1 4.98 . . 1 . . . . . . . . 1495 1 39 . 1 1 8 8 CYS HB2 H 1 3.19 . . 2 . . . . . . . . 1495 1 40 . 1 1 8 8 CYS HB3 H 1 2.95 . . 2 . . . . . . . . 1495 1 41 . 1 1 9 9 CYS H H 1 9.09 . . 1 . . . . . . . . 1495 1 42 . 1 1 9 9 CYS HA H 1 4.74 . . 1 . . . . . . . . 1495 1 43 . 1 1 9 9 CYS HB2 H 1 3.02 . . 2 . . . . . . . . 1495 1 44 . 1 1 9 9 CYS HB3 H 1 2.99 . . 2 . . . . . . . . 1495 1 45 . 1 1 10 10 ASP H H 1 11.54 . . 1 . . . . . . . . 1495 1 46 . 1 1 10 10 ASP HA H 1 4.94 . . 1 . . . . . . . . 1495 1 47 . 1 1 10 10 ASP HB2 H 1 2.84 . . 2 . . . . . . . . 1495 1 48 . 1 1 10 10 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 1495 1 49 . 1 1 11 11 GLN H H 1 9.11 . . 1 . . . . . . . . 1495 1 50 . 1 1 11 11 GLN HA H 1 4.46 . . 1 . . . . . . . . 1495 1 51 . 1 1 11 11 GLN HB2 H 1 2.17 . . 2 . . . . . . . . 1495 1 52 . 1 1 11 11 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 1495 1 53 . 1 1 11 11 GLN HG2 H 1 2.28 . . 1 . . . . . . . . 1495 1 54 . 1 1 11 11 GLN HG3 H 1 2.28 . . 1 . . . . . . . . 1495 1 55 . 1 1 11 11 GLN HE21 H 1 7.47 . . 2 . . . . . . . . 1495 1 56 . 1 1 11 11 GLN HE22 H 1 6.66 . . 2 . . . . . . . . 1495 1 57 . 1 1 12 12 CYS H H 1 8.63 . . 1 . . . . . . . . 1495 1 58 . 1 1 12 12 CYS HA H 1 5.11 . . 1 . . . . . . . . 1495 1 59 . 1 1 12 12 CYS HB2 H 1 3.52 . . 2 . . . . . . . . 1495 1 60 . 1 1 12 12 CYS HB3 H 1 2.95 . . 2 . . . . . . . . 1495 1 61 . 1 1 13 13 ALA H H 1 8.58 . . 1 . . . . . . . . 1495 1 62 . 1 1 13 13 ALA HA H 1 4.82 . . 1 . . . . . . . . 1495 1 63 . 1 1 13 13 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 1495 1 64 . 1 1 13 13 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 1495 1 65 . 1 1 13 13 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 1495 1 66 . 1 1 14 14 CYS H H 1 8.54 . . 1 . . . . . . . . 1495 1 67 . 1 1 14 14 CYS HA H 1 5.83 . . 1 . . . . . . . . 1495 1 68 . 1 1 14 14 CYS HB2 H 1 2.96 . . 2 . . . . . . . . 1495 1 69 . 1 1 14 14 CYS HB3 H 1 2.86 . . 2 . . . . . . . . 1495 1 70 . 1 1 15 15 THR H H 1 8.77 . . 1 . . . . . . . . 1495 1 71 . 1 1 15 15 THR HA H 1 4.44 . . 1 . . . . . . . . 1495 1 72 . 1 1 15 15 THR HB H 1 4.49 . . 1 . . . . . . . . 1495 1 73 . 1 1 15 15 THR HG21 H 1 1.4 . . 1 . . . . . . . . 1495 1 74 . 1 1 15 15 THR HG22 H 1 1.4 . . 1 . . . . . . . . 1495 1 75 . 1 1 15 15 THR HG23 H 1 1.4 . . 1 . . . . . . . . 1495 1 76 . 1 1 16 16 LYS H H 1 8.45 . . 1 . . . . . . . . 1495 1 77 . 1 1 16 16 LYS HA H 1 4.49 . . 1 . . . . . . . . 1495 1 78 . 1 1 16 16 LYS HB2 H 1 2 . . 2 . . . . . . . . 1495 1 79 . 1 1 16 16 LYS HB3 H 1 1.7 . . 2 . . . . . . . . 1495 1 80 . 1 1 16 16 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 1495 1 81 . 1 1 16 16 LYS HG3 H 1 1.43 . . 2 . . . . . . . . 1495 1 82 . 1 1 16 16 LYS HD2 H 1 3.02 . . 1 . . . . . . . . 1495 1 83 . 1 1 16 16 LYS HD3 H 1 3.02 . . 1 . . . . . . . . 1495 1 84 . 1 1 17 17 SER H H 1 7.32 . . 1 . . . . . . . . 1495 1 85 . 1 1 17 17 SER HA H 1 4.37 . . 1 . . . . . . . . 1495 1 86 . 1 1 17 17 SER HB2 H 1 3.9 . . 2 . . . . . . . . 1495 1 87 . 1 1 17 17 SER HB3 H 1 3.74 . . 2 . . . . . . . . 1495 1 88 . 1 1 18 18 ASN H H 1 8.25 . . 1 . . . . . . . . 1495 1 89 . 1 1 18 18 ASN HA H 1 5.04 . . 1 . . . . . . . . 1495 1 90 . 1 1 18 18 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 1495 1 91 . 1 1 18 18 ASN HB3 H 1 2.6 . . 2 . . . . . . . . 1495 1 92 . 1 1 18 18 ASN HD21 H 1 7.48 . . 2 . . . . . . . . 1495 1 93 . 1 1 18 18 ASN HD22 H 1 6.79 . . 2 . . . . . . . . 1495 1 94 . 1 1 19 19 PRO HA H 1 5.14 . . 1 . . . . . . . . 1495 1 95 . 1 1 19 19 PRO HB2 H 1 2.53 . . 2 . . . . . . . . 1495 1 96 . 1 1 19 19 PRO HB3 H 1 2.11 . . 2 . . . . . . . . 1495 1 97 . 1 1 19 19 PRO HG2 H 1 1.99 . . 2 . . . . . . . . 1495 1 98 . 1 1 19 19 PRO HG3 H 1 1.89 . . 2 . . . . . . . . 1495 1 99 . 1 1 19 19 PRO HD2 H 1 3.57 . . 2 . . . . . . . . 1495 1 100 . 1 1 19 19 PRO HD3 H 1 3.55 . . 2 . . . . . . . . 1495 1 101 . 1 1 20 20 PRO HA H 1 4.19 . . 1 . . . . . . . . 1495 1 102 . 1 1 20 20 PRO HB2 H 1 2.37 . . 2 . . . . . . . . 1495 1 103 . 1 1 20 20 PRO HB3 H 1 1.86 . . 2 . . . . . . . . 1495 1 104 . 1 1 20 20 PRO HG2 H 1 2.12 . . 2 . . . . . . . . 1495 1 105 . 1 1 20 20 PRO HG3 H 1 2.09 . . 2 . . . . . . . . 1495 1 106 . 1 1 20 20 PRO HD2 H 1 3.91 . . 2 . . . . . . . . 1495 1 107 . 1 1 20 20 PRO HD3 H 1 3.76 . . 2 . . . . . . . . 1495 1 108 . 1 1 21 21 GLN H H 1 7.48 . . 1 . . . . . . . . 1495 1 109 . 1 1 21 21 GLN HA H 1 4.59 . . 1 . . . . . . . . 1495 1 110 . 1 1 21 21 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 1495 1 111 . 1 1 21 21 GLN HB3 H 1 1.78 . . 2 . . . . . . . . 1495 1 112 . 1 1 21 21 GLN HG2 H 1 2.24 . . 1 . . . . . . . . 1495 1 113 . 1 1 21 21 GLN HG3 H 1 2.24 . . 1 . . . . . . . . 1495 1 114 . 1 1 21 21 GLN HE21 H 1 7.42 . . 2 . . . . . . . . 1495 1 115 . 1 1 21 21 GLN HE22 H 1 6.67 . . 2 . . . . . . . . 1495 1 116 . 1 1 22 22 CYS H H 1 9.5 . . 1 . . . . . . . . 1495 1 117 . 1 1 22 22 CYS HA H 1 5.63 . . 1 . . . . . . . . 1495 1 118 . 1 1 22 22 CYS HB2 H 1 2.62 . . 2 . . . . . . . . 1495 1 119 . 1 1 22 22 CYS HB3 H 1 2.47 . . 2 . . . . . . . . 1495 1 120 . 1 1 23 23 ARG H H 1 8.63 . . 1 . . . . . . . . 1495 1 121 . 1 1 23 23 ARG HA H 1 4.78 . . 1 . . . . . . . . 1495 1 122 . 1 1 23 23 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 1495 1 123 . 1 1 23 23 ARG HB3 H 1 1.69 . . 2 . . . . . . . . 1495 1 124 . 1 1 23 23 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 1495 1 125 . 1 1 23 23 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 1495 1 126 . 1 1 24 24 CYS H H 1 9.81 . . 1 . . . . . . . . 1495 1 127 . 1 1 24 24 CYS HA H 1 5.25 . . 1 . . . . . . . . 1495 1 128 . 1 1 24 24 CYS HB2 H 1 3.35 . . 2 . . . . . . . . 1495 1 129 . 1 1 24 24 CYS HB3 H 1 3.15 . . 2 . . . . . . . . 1495 1 130 . 1 1 25 25 SER H H 1 9.34 . . 1 . . . . . . . . 1495 1 131 . 1 1 25 25 SER HA H 1 4.67 . . 1 . . . . . . . . 1495 1 132 . 1 1 25 25 SER HB2 H 1 3.95 . . 1 . . . . . . . . 1495 1 133 . 1 1 25 25 SER HB3 H 1 3.95 . . 1 . . . . . . . . 1495 1 134 . 1 1 26 26 ASP H H 1 7.58 . . 1 . . . . . . . . 1495 1 135 . 1 1 26 26 ASP HA H 1 4.3 . . 1 . . . . . . . . 1495 1 136 . 1 1 26 26 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 1495 1 137 . 1 1 26 26 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 1495 1 138 . 1 1 27 27 MET H H 1 8.51 . . 1 . . . . . . . . 1495 1 139 . 1 1 27 27 MET HA H 1 4.3 . . 1 . . . . . . . . 1495 1 140 . 1 1 27 27 MET HB2 H 1 1.99 . . 2 . . . . . . . . 1495 1 141 . 1 1 27 27 MET HB3 H 1 1.88 . . 2 . . . . . . . . 1495 1 142 . 1 1 28 28 ARG H H 1 8.77 . . 1 . . . . . . . . 1495 1 143 . 1 1 28 28 ARG HA H 1 4.52 . . 1 . . . . . . . . 1495 1 144 . 1 1 28 28 ARG HB2 H 1 1.84 . . 2 . . . . . . . . 1495 1 145 . 1 1 28 28 ARG HB3 H 1 1.58 . . 2 . . . . . . . . 1495 1 146 . 1 1 29 29 LEU H H 1 8.34 . . 1 . . . . . . . . 1495 1 147 . 1 1 29 29 LEU HA H 1 4.79 . . 1 . . . . . . . . 1495 1 148 . 1 1 29 29 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 1495 1 149 . 1 1 29 29 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 1495 1 150 . 1 1 29 29 LEU HG H 1 1.61 . . 1 . . . . . . . . 1495 1 151 . 1 1 29 29 LEU HD11 H 1 .84 . . 2 . . . . . . . . 1495 1 152 . 1 1 29 29 LEU HD12 H 1 .84 . . 2 . . . . . . . . 1495 1 153 . 1 1 29 29 LEU HD13 H 1 .84 . . 2 . . . . . . . . 1495 1 154 . 1 1 29 29 LEU HD21 H 1 .72 . . 2 . . . . . . . . 1495 1 155 . 1 1 29 29 LEU HD22 H 1 .72 . . 2 . . . . . . . . 1495 1 156 . 1 1 29 29 LEU HD23 H 1 .72 . . 2 . . . . . . . . 1495 1 157 . 1 1 30 30 ASN H H 1 9.13 . . 1 . . . . . . . . 1495 1 158 . 1 1 30 30 ASN HA H 1 4.12 . . 1 . . . . . . . . 1495 1 159 . 1 1 30 30 ASN HB2 H 1 3.35 . . 2 . . . . . . . . 1495 1 160 . 1 1 30 30 ASN HB3 H 1 2.74 . . 2 . . . . . . . . 1495 1 161 . 1 1 30 30 ASN HD21 H 1 7.56 . . 2 . . . . . . . . 1495 1 162 . 1 1 30 30 ASN HD22 H 1 6.66 . . 2 . . . . . . . . 1495 1 163 . 1 1 31 31 SER H H 1 8.38 . . 1 . . . . . . . . 1495 1 164 . 1 1 31 31 SER HA H 1 4.45 . . 1 . . . . . . . . 1495 1 165 . 1 1 31 31 SER HB2 H 1 3.91 . . 2 . . . . . . . . 1495 1 166 . 1 1 31 31 SER HB3 H 1 3.8 . . 2 . . . . . . . . 1495 1 167 . 1 1 32 32 CYS H H 1 7.88 . . 1 . . . . . . . . 1495 1 168 . 1 1 32 32 CYS HA H 1 4.59 . . 1 . . . . . . . . 1495 1 169 . 1 1 32 32 CYS HB2 H 1 3.24 . . 2 . . . . . . . . 1495 1 170 . 1 1 32 32 CYS HB3 H 1 2.85 . . 2 . . . . . . . . 1495 1 171 . 1 1 33 33 HIS H H 1 7.98 . . 1 . . . . . . . . 1495 1 172 . 1 1 33 33 HIS HA H 1 4.4 . . 1 . . . . . . . . 1495 1 173 . 1 1 33 33 HIS HB2 H 1 3.19 . . 2 . . . . . . . . 1495 1 174 . 1 1 33 33 HIS HB3 H 1 2.98 . . 2 . . . . . . . . 1495 1 175 . 1 1 33 33 HIS HD2 H 1 7.22 . . 1 . . . . . . . . 1495 1 176 . 1 1 33 33 HIS HE1 H 1 7.54 . . 1 . . . . . . . . 1495 1 177 . 1 1 34 34 SER H H 1 8.54 . . 1 . . . . . . . . 1495 1 178 . 1 1 34 34 SER HA H 1 4.1 . . 1 . . . . . . . . 1495 1 179 . 1 1 34 34 SER HB2 H 1 3.96 . . 2 . . . . . . . . 1495 1 180 . 1 1 34 34 SER HB3 H 1 3.88 . . 2 . . . . . . . . 1495 1 181 . 1 1 35 35 ALA H H 1 9.42 . . 1 . . . . . . . . 1495 1 182 . 1 1 35 35 ALA HA H 1 4.6 . . 1 . . . . . . . . 1495 1 183 . 1 1 35 35 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 1495 1 184 . 1 1 35 35 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 1495 1 185 . 1 1 35 35 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 1495 1 186 . 1 1 36 36 CYS H H 1 7.49 . . 1 . . . . . . . . 1495 1 187 . 1 1 36 36 CYS HA H 1 4.19 . . 1 . . . . . . . . 1495 1 188 . 1 1 36 36 CYS HB2 H 1 3.11 . . 1 . . . . . . . . 1495 1 189 . 1 1 36 36 CYS HB3 H 1 3.11 . . 1 . . . . . . . . 1495 1 190 . 1 1 37 37 LYS H H 1 11.5 . . 1 . . . . . . . . 1495 1 191 . 1 1 37 37 LYS HA H 1 4.34 . . 1 . . . . . . . . 1495 1 192 . 1 1 37 37 LYS HB2 H 1 2.08 . . 2 . . . . . . . . 1495 1 193 . 1 1 37 37 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 1495 1 194 . 1 1 37 37 LYS HG2 H 1 1.62 . . 2 . . . . . . . . 1495 1 195 . 1 1 37 37 LYS HG3 H 1 1.5 . . 2 . . . . . . . . 1495 1 196 . 1 1 37 37 LYS HD2 H 1 3.07 . . 1 . . . . . . . . 1495 1 197 . 1 1 37 37 LYS HD3 H 1 3.07 . . 1 . . . . . . . . 1495 1 198 . 1 1 38 38 SER H H 1 9.36 . . 1 . . . . . . . . 1495 1 199 . 1 1 38 38 SER HA H 1 4.59 . . 1 . . . . . . . . 1495 1 200 . 1 1 38 38 SER HB2 H 1 3.72 . . 2 . . . . . . . . 1495 1 201 . 1 1 38 38 SER HB3 H 1 3.67 . . 2 . . . . . . . . 1495 1 202 . 1 1 39 39 CYS H H 1 8.51 . . 1 . . . . . . . . 1495 1 203 . 1 1 39 39 CYS HA H 1 5.31 . . 1 . . . . . . . . 1495 1 204 . 1 1 39 39 CYS HB2 H 1 3.05 . . 2 . . . . . . . . 1495 1 205 . 1 1 39 39 CYS HB3 H 1 2.72 . . 2 . . . . . . . . 1495 1 206 . 1 1 40 40 ILE H H 1 9.3 . . 1 . . . . . . . . 1495 1 207 . 1 1 40 40 ILE HA H 1 4.56 . . 1 . . . . . . . . 1495 1 208 . 1 1 40 40 ILE HB H 1 1.67 . . 1 . . . . . . . . 1495 1 209 . 1 1 40 40 ILE HG12 H 1 1.48 . . 2 . . . . . . . . 1495 1 210 . 1 1 40 40 ILE HG13 H 1 1.18 . . 2 . . . . . . . . 1495 1 211 . 1 1 40 40 ILE HG21 H 1 .84 . . 1 . . . . . . . . 1495 1 212 . 1 1 40 40 ILE HG22 H 1 .84 . . 1 . . . . . . . . 1495 1 213 . 1 1 40 40 ILE HG23 H 1 .84 . . 1 . . . . . . . . 1495 1 214 . 1 1 40 40 ILE HD11 H 1 .8 . . 1 . . . . . . . . 1495 1 215 . 1 1 40 40 ILE HD12 H 1 .8 . . 1 . . . . . . . . 1495 1 216 . 1 1 40 40 ILE HD13 H 1 .8 . . 1 . . . . . . . . 1495 1 217 . 1 1 41 41 CYS H H 1 8.47 . . 1 . . . . . . . . 1495 1 218 . 1 1 41 41 CYS HA H 1 5.72 . . 1 . . . . . . . . 1495 1 219 . 1 1 41 41 CYS HB2 H 1 2.94 . . 2 . . . . . . . . 1495 1 220 . 1 1 41 41 CYS HB3 H 1 2.72 . . 2 . . . . . . . . 1495 1 221 . 1 1 42 42 ALA H H 1 8.92 . . 1 . . . . . . . . 1495 1 222 . 1 1 42 42 ALA HA H 1 4.45 . . 1 . . . . . . . . 1495 1 223 . 1 1 42 42 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 1495 1 224 . 1 1 42 42 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 1495 1 225 . 1 1 42 42 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 1495 1 226 . 1 1 43 43 LEU H H 1 8.34 . . 1 . . . . . . . . 1495 1 227 . 1 1 43 43 LEU HA H 1 4.42 . . 1 . . . . . . . . 1495 1 228 . 1 1 43 43 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 1495 1 229 . 1 1 43 43 LEU HB3 H 1 1.67 . . 1 . . . . . . . . 1495 1 230 . 1 1 43 43 LEU HG H 1 1.67 . . 1 . . . . . . . . 1495 1 231 . 1 1 43 43 LEU HD11 H 1 .96 . . 2 . . . . . . . . 1495 1 232 . 1 1 43 43 LEU HD12 H 1 .96 . . 2 . . . . . . . . 1495 1 233 . 1 1 43 43 LEU HD13 H 1 .96 . . 2 . . . . . . . . 1495 1 234 . 1 1 43 43 LEU HD21 H 1 .89 . . 2 . . . . . . . . 1495 1 235 . 1 1 43 43 LEU HD22 H 1 .89 . . 2 . . . . . . . . 1495 1 236 . 1 1 43 43 LEU HD23 H 1 .89 . . 2 . . . . . . . . 1495 1 237 . 1 1 44 44 SER H H 1 7.58 . . 1 . . . . . . . . 1495 1 238 . 1 1 44 44 SER HA H 1 4.4 . . 1 . . . . . . . . 1495 1 239 . 1 1 44 44 SER HB2 H 1 3.89 . . 2 . . . . . . . . 1495 1 240 . 1 1 44 44 SER HB3 H 1 3.7 . . 2 . . . . . . . . 1495 1 241 . 1 1 45 45 TYR H H 1 8.18 . . 1 . . . . . . . . 1495 1 242 . 1 1 45 45 TYR HA H 1 4.71 . . 1 . . . . . . . . 1495 1 243 . 1 1 45 45 TYR HB2 H 1 2.9 . . 1 . . . . . . . . 1495 1 244 . 1 1 45 45 TYR HB3 H 1 2.9 . . 1 . . . . . . . . 1495 1 245 . 1 1 45 45 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 1495 1 246 . 1 1 45 45 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 1495 1 247 . 1 1 45 45 TYR HE1 H 1 6.81 . . 1 . . . . . . . . 1495 1 248 . 1 1 45 45 TYR HE2 H 1 6.81 . . 1 . . . . . . . . 1495 1 249 . 1 1 46 46 PRO HA H 1 4.3 . . 1 . . . . . . . . 1495 1 250 . 1 1 46 46 PRO HB2 H 1 2.16 . . 2 . . . . . . . . 1495 1 251 . 1 1 46 46 PRO HB3 H 1 1.81 . . 2 . . . . . . . . 1495 1 252 . 1 1 46 46 PRO HG2 H 1 1.74 . . 2 . . . . . . . . 1495 1 253 . 1 1 46 46 PRO HG3 H 1 1.8 . . 2 . . . . . . . . 1495 1 254 . 1 1 46 46 PRO HD2 H 1 3.5 . . 2 . . . . . . . . 1495 1 255 . 1 1 46 46 PRO HD3 H 1 3.33 . . 2 . . . . . . . . 1495 1 256 . 1 1 47 47 ALA H H 1 8.63 . . 1 . . . . . . . . 1495 1 257 . 1 1 47 47 ALA HA H 1 4.23 . . 1 . . . . . . . . 1495 1 258 . 1 1 47 47 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 1495 1 259 . 1 1 47 47 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 1495 1 260 . 1 1 47 47 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 1495 1 261 . 1 1 48 48 GLN H H 1 7.19 . . 1 . . . . . . . . 1495 1 262 . 1 1 48 48 GLN HA H 1 4.48 . . 1 . . . . . . . . 1495 1 263 . 1 1 48 48 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 1495 1 264 . 1 1 48 48 GLN HB3 H 1 1.91 . . 2 . . . . . . . . 1495 1 265 . 1 1 48 48 GLN HG2 H 1 2.34 . . 1 . . . . . . . . 1495 1 266 . 1 1 48 48 GLN HG3 H 1 2.34 . . 1 . . . . . . . . 1495 1 267 . 1 1 49 49 CYS H H 1 8.89 . . 1 . . . . . . . . 1495 1 268 . 1 1 49 49 CYS HA H 1 5.61 . . 1 . . . . . . . . 1495 1 269 . 1 1 49 49 CYS HB2 H 1 2.88 . . 2 . . . . . . . . 1495 1 270 . 1 1 49 49 CYS HB3 H 1 2.71 . . 2 . . . . . . . . 1495 1 271 . 1 1 50 50 PHE H H 1 9.22 . . 1 . . . . . . . . 1495 1 272 . 1 1 50 50 PHE HA H 1 4.81 . . 1 . . . . . . . . 1495 1 273 . 1 1 50 50 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 1495 1 274 . 1 1 50 50 PHE HB3 H 1 2.7 . . 2 . . . . . . . . 1495 1 275 . 1 1 50 50 PHE HD1 H 1 7.07 . . 1 . . . . . . . . 1495 1 276 . 1 1 50 50 PHE HD2 H 1 7.07 . . 1 . . . . . . . . 1495 1 277 . 1 1 50 50 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 1495 1 278 . 1 1 50 50 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 1495 1 279 . 1 1 50 50 PHE HZ H 1 7 . . 1 . . . . . . . . 1495 1 280 . 1 1 51 51 CYS H H 1 9.68 . . 1 . . . . . . . . 1495 1 281 . 1 1 51 51 CYS HA H 1 5.27 . . 1 . . . . . . . . 1495 1 282 . 1 1 51 51 CYS HB2 H 1 3.31 . . 2 . . . . . . . . 1495 1 283 . 1 1 51 51 CYS HB3 H 1 3.04 . . 2 . . . . . . . . 1495 1 284 . 1 1 52 52 VAL H H 1 8.84 . . 1 . . . . . . . . 1495 1 285 . 1 1 52 52 VAL HA H 1 4.59 . . 1 . . . . . . . . 1495 1 286 . 1 1 52 52 VAL HB H 1 2.48 . . 1 . . . . . . . . 1495 1 287 . 1 1 52 52 VAL HG11 H 1 .9 . . 2 . . . . . . . . 1495 1 288 . 1 1 52 52 VAL HG12 H 1 .9 . . 2 . . . . . . . . 1495 1 289 . 1 1 52 52 VAL HG13 H 1 .9 . . 2 . . . . . . . . 1495 1 290 . 1 1 52 52 VAL HG21 H 1 .82 . . 2 . . . . . . . . 1495 1 291 . 1 1 52 52 VAL HG22 H 1 .82 . . 2 . . . . . . . . 1495 1 292 . 1 1 52 52 VAL HG23 H 1 .82 . . 2 . . . . . . . . 1495 1 293 . 1 1 53 53 ASP H H 1 7.4 . . 1 . . . . . . . . 1495 1 294 . 1 1 53 53 ASP HA H 1 4.35 . . 1 . . . . . . . . 1495 1 295 . 1 1 53 53 ASP HB2 H 1 2.65 . . 1 . . . . . . . . 1495 1 296 . 1 1 53 53 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 1495 1 297 . 1 1 54 54 ILE H H 1 8.24 . . 1 . . . . . . . . 1495 1 298 . 1 1 54 54 ILE HA H 1 4.96 . . 1 . . . . . . . . 1495 1 299 . 1 1 54 54 ILE HB H 1 1.75 . . 1 . . . . . . . . 1495 1 300 . 1 1 54 54 ILE HG12 H 1 1.72 . . 2 . . . . . . . . 1495 1 301 . 1 1 54 54 ILE HG13 H 1 1.09 . . 2 . . . . . . . . 1495 1 302 . 1 1 54 54 ILE HG21 H 1 .9 . . 1 . . . . . . . . 1495 1 303 . 1 1 54 54 ILE HG22 H 1 .9 . . 1 . . . . . . . . 1495 1 304 . 1 1 54 54 ILE HG23 H 1 .9 . . 1 . . . . . . . . 1495 1 305 . 1 1 54 54 ILE HD11 H 1 .84 . . 1 . . . . . . . . 1495 1 306 . 1 1 54 54 ILE HD12 H 1 .84 . . 1 . . . . . . . . 1495 1 307 . 1 1 54 54 ILE HD13 H 1 .84 . . 1 . . . . . . . . 1495 1 308 . 1 1 55 55 THR H H 1 8.86 . . 1 . . . . . . . . 1495 1 309 . 1 1 55 55 THR HA H 1 4.75 . . 1 . . . . . . . . 1495 1 310 . 1 1 55 55 THR HB H 1 3.87 . . 1 . . . . . . . . 1495 1 311 . 1 1 55 55 THR HG21 H 1 .92 . . 1 . . . . . . . . 1495 1 312 . 1 1 55 55 THR HG22 H 1 .92 . . 1 . . . . . . . . 1495 1 313 . 1 1 55 55 THR HG23 H 1 .92 . . 1 . . . . . . . . 1495 1 314 . 1 1 56 56 ASP H H 1 8.33 . . 1 . . . . . . . . 1495 1 315 . 1 1 56 56 ASP HA H 1 4.94 . . 1 . . . . . . . . 1495 1 316 . 1 1 56 56 ASP HB2 H 1 3 . . 2 . . . . . . . . 1495 1 317 . 1 1 56 56 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 1495 1 318 . 1 1 57 57 PHE H H 1 6.94 . . 1 . . . . . . . . 1495 1 319 . 1 1 57 57 PHE HA H 1 4.67 . . 1 . . . . . . . . 1495 1 320 . 1 1 57 57 PHE HB2 H 1 3.05 . . 2 . . . . . . . . 1495 1 321 . 1 1 57 57 PHE HB3 H 1 2.89 . . 2 . . . . . . . . 1495 1 322 . 1 1 57 57 PHE HD1 H 1 7 . . 1 . . . . . . . . 1495 1 323 . 1 1 57 57 PHE HD2 H 1 7 . . 1 . . . . . . . . 1495 1 324 . 1 1 57 57 PHE HE1 H 1 6.9 . . 1 . . . . . . . . 1495 1 325 . 1 1 57 57 PHE HE2 H 1 6.9 . . 1 . . . . . . . . 1495 1 326 . 1 1 57 57 PHE HZ H 1 7.15 . . 1 . . . . . . . . 1495 1 327 . 1 1 58 58 CYS H H 1 8.52 . . 1 . . . . . . . . 1495 1 328 . 1 1 58 58 CYS HA H 1 4.72 . . 1 . . . . . . . . 1495 1 329 . 1 1 58 58 CYS HB2 H 1 3.14 . . 2 . . . . . . . . 1495 1 330 . 1 1 58 58 CYS HB3 H 1 2.75 . . 2 . . . . . . . . 1495 1 331 . 1 1 59 59 TYR H H 1 7.63 . . 1 . . . . . . . . 1495 1 332 . 1 1 59 59 TYR HA H 1 4.58 . . 1 . . . . . . . . 1495 1 333 . 1 1 59 59 TYR HB2 H 1 3.13 . . 2 . . . . . . . . 1495 1 334 . 1 1 59 59 TYR HB3 H 1 2.28 . . 2 . . . . . . . . 1495 1 335 . 1 1 59 59 TYR HD1 H 1 7.11 . . 1 . . . . . . . . 1495 1 336 . 1 1 59 59 TYR HD2 H 1 7.11 . . 1 . . . . . . . . 1495 1 337 . 1 1 59 59 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 1495 1 338 . 1 1 59 59 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 1495 1 339 . 1 1 60 60 GLU H H 1 8.51 . . 1 . . . . . . . . 1495 1 340 . 1 1 60 60 GLU HA H 1 4.48 . . 1 . . . . . . . . 1495 1 341 . 1 1 60 60 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 1495 1 342 . 1 1 60 60 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 1495 1 343 . 1 1 60 60 GLU HG2 H 1 2.44 . . 1 . . . . . . . . 1495 1 344 . 1 1 60 60 GLU HG3 H 1 2.44 . . 1 . . . . . . . . 1495 1 345 . 1 1 61 61 PRO HA H 1 4.68 . . 1 . . . . . . . . 1495 1 346 . 1 1 61 61 PRO HB2 H 1 2.55 . . 2 . . . . . . . . 1495 1 347 . 1 1 61 61 PRO HB3 H 1 1.85 . . 2 . . . . . . . . 1495 1 348 . 1 1 61 61 PRO HG2 H 1 2.14 . . 1 . . . . . . . . 1495 1 349 . 1 1 61 61 PRO HG3 H 1 2.14 . . 1 . . . . . . . . 1495 1 350 . 1 1 61 61 PRO HD2 H 1 3.9 . . 2 . . . . . . . . 1495 1 351 . 1 1 61 61 PRO HD3 H 1 3.67 . . 2 . . . . . . . . 1495 1 352 . 1 1 62 62 CYS H H 1 8.32 . . 1 . . . . . . . . 1495 1 353 . 1 1 62 62 CYS HA H 1 4.43 . . 1 . . . . . . . . 1495 1 354 . 1 1 62 62 CYS HB2 H 1 3.34 . . 2 . . . . . . . . 1495 1 355 . 1 1 62 62 CYS HB3 H 1 3.11 . . 2 . . . . . . . . 1495 1 356 . 1 1 63 63 LYS H H 1 8.6 . . 1 . . . . . . . . 1495 1 357 . 1 1 63 63 LYS HA H 1 4.65 . . 1 . . . . . . . . 1495 1 358 . 1 1 63 63 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 1495 1 359 . 1 1 63 63 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 1495 1 360 . 1 1 63 63 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 1495 1 361 . 1 1 63 63 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 1495 1 362 . 1 1 63 63 LYS HD2 H 1 2.98 . . 1 . . . . . . . . 1495 1 363 . 1 1 63 63 LYS HD3 H 1 2.98 . . 1 . . . . . . . . 1495 1 364 . 1 1 64 64 PRO HA H 1 4.46 . . 1 . . . . . . . . 1495 1 365 . 1 1 64 64 PRO HB2 H 1 2.31 . . 2 . . . . . . . . 1495 1 366 . 1 1 64 64 PRO HB3 H 1 1.95 . . 2 . . . . . . . . 1495 1 367 . 1 1 64 64 PRO HG2 H 1 2.03 . . 1 . . . . . . . . 1495 1 368 . 1 1 64 64 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 1495 1 369 . 1 1 64 64 PRO HD2 H 1 3.78 . . 2 . . . . . . . . 1495 1 370 . 1 1 64 64 PRO HD3 H 1 3.66 . . 2 . . . . . . . . 1495 1 371 . 1 1 65 65 SER H H 1 8.23 . . 1 . . . . . . . . 1495 1 372 . 1 1 65 65 SER HA H 1 4.44 . . 1 . . . . . . . . 1495 1 373 . 1 1 65 65 SER HB2 H 1 3.9 . . 2 . . . . . . . . 1495 1 374 . 1 1 65 65 SER HB3 H 1 3.85 . . 2 . . . . . . . . 1495 1 375 . 1 1 66 66 GLU H H 1 8.44 . . 1 . . . . . . . . 1495 1 376 . 1 1 66 66 GLU HA H 1 4.34 . . 1 . . . . . . . . 1495 1 377 . 1 1 66 66 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 1495 1 378 . 1 1 66 66 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 1495 1 379 . 1 1 66 66 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 1495 1 380 . 1 1 66 66 GLU HG3 H 1 2.31 . . 1 . . . . . . . . 1495 1 381 . 1 1 67 67 ASP H H 1 8.23 . . 1 . . . . . . . . 1495 1 382 . 1 1 67 67 ASP HA H 1 4.6 . . 1 . . . . . . . . 1495 1 383 . 1 1 67 67 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 1495 1 384 . 1 1 67 67 ASP HB3 H 1 2.6 . . 2 . . . . . . . . 1495 1 385 . 1 1 68 68 ASP H H 1 8.19 . . 1 . . . . . . . . 1495 1 386 . 1 1 68 68 ASP HA H 1 4.6 . . 1 . . . . . . . . 1495 1 387 . 1 1 68 68 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 1495 1 388 . 1 1 68 68 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 1495 1 389 . 1 1 69 69 LYS H H 1 8.03 . . 1 . . . . . . . . 1495 1 390 . 1 1 69 69 LYS HA H 1 4.34 . . 1 . . . . . . . . 1495 1 391 . 1 1 69 69 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 1495 1 392 . 1 1 69 69 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 1495 1 393 . 1 1 69 69 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 1495 1 394 . 1 1 69 69 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 1495 1 395 . 1 1 69 69 LYS HD2 H 1 3.02 . . 1 . . . . . . . . 1495 1 396 . 1 1 69 69 LYS HD3 H 1 3.02 . . 1 . . . . . . . . 1495 1 397 . 1 1 70 70 GLU HA H 1 4.15 . . 1 . . . . . . . . 1495 1 398 . 1 1 70 70 GLU HB2 H 1 1.91 . . 1 . . . . . . . . 1495 1 399 . 1 1 70 70 GLU HB3 H 1 1.91 . . 1 . . . . . . . . 1495 1 400 . 1 1 71 71 ASN H H 1 7.88 . . 1 . . . . . . . . 1495 1 401 . 1 1 71 71 ASN HA H 1 4.46 . . 1 . . . . . . . . 1495 1 402 . 1 1 71 71 ASN HB2 H 1 2.76 . . 2 . . . . . . . . 1495 1 403 . 1 1 71 71 ASN HB3 H 1 2.65 . . 2 . . . . . . . . 1495 1 stop_ save_