data_5325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5325 _Entry.Title ; 1H Chemical Shift Assignments for nsLTP2 from Rice ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-18 _Entry.Accession_date 2002-03-18 _Entry.Last_release_date 2003-06-09 _Entry.Original_release_date 2003-06-09 _Entry.Origination author _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 Lyu Ping-Chiang . . . 5325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 385 5325 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-06-09 2002-03-18 original author . 5325 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5325 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22217954 _Citation.DOI . _Citation.PubMed_ID 12011089 _Citation.Full_citation . _Citation.Title ; Solution Structure of Plant Nonspecific Lipid Transfer Protein-2 from Rice (Oryza sativa) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 38 _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 35267 _Citation.Page_last 35273 _Citation.Year 2002 _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 Dharmaraj Samuel . . . 5325 1 2 Yaw-Jen Liu . . . 5325 1 3 Chao-Sheng Cheng . . . 5325 1 4 Ping-Chiang Lyu . . . 5325 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5325 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12056799 _Citation.Full_citation ; Liu YJ, Samuel D, Lin CH, Lyu PC. Biochem. Biophys. Res. Commun. 294 535-540 (2002) ; _Citation.Title 'Purification and characterization of a novel 7-kDa non-specific lipid transfer protein-2 from rice (Oryza sativa).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 294 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-291X _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 535 _Citation.Page_last 540 _Citation.Year 2002 _Citation.Details ; A novel 7-kDa non-specific lipid transfer protein-2 (nsLTP2) has been isolated from rice (Oryza sativa) seeds. In contrast to nsLTP1s, few nsLTP2s have been purified and characterized. Complete amino acid sequence of rice nsLTP2 was determined by N-terminal Edman degradation of the intact protein as well as the peptide fragments resulted from trypsin digestions. Rice nsLTP2 consists of 69 amino acid residues with eight conserved cysteines forming four disulfide bonds. The secondary structure of rice nsLTP2 is predominantly alpha-helical as determined by circular dichroism spectroscopy. Cysteine pairings of nsLTP2 have one miss match at Cys(35)-X-Cys(37) motif compared to nsLTP1. Primary structure analysis of various plant nsLTP2s revealed an interesting conservation of sequence features among nsLTP2 family. ; 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 Yaw-Jen Liu Y. J. . 5325 2 2 Dharmaraj Samuel D. . . 5325 2 3 Chi-Hung Lin C. H. . 5325 2 4 Ping-Chiang Lyu P. C. . 5325 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_nsLTP2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_nsLTP2 _Assembly.Entry_ID 5325 _Assembly.ID 1 _Assembly.Name 'Plant nsLTP2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5325 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'rice nsLTP2' 1 $nsLTP2 . . . native . . . . . 5325 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID nsLTP2 abbreviation 5325 1 'Plant nsLTP2' system 5325 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'lipid transfer' 5325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsLTP2 _Entity.Sf_category entity _Entity.Sf_framecode nsLTP2 _Entity.Entry_ID 5325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Plant Lipid Transfer Protein-2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGCNAGQLTVCTGAIAGGAR PTAACCSSLRAQQGCFCQFA KDPRYGRYVNSPNARKAVSS CGIALPTCH ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7001 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1L6H . "Solution Structure Of Plant Nsltp2 Purified From Rice (Oryza Sativa)" . . . . . 100.00 69 100.00 100.00 2.50e-40 . . . . 5325 1 2 no DBJ BAF10637 . "Os03g0111300 [Oryza sativa Japonica Group]" . . . . . 100.00 96 100.00 100.00 5.29e-41 . . . . 5325 1 3 no DBJ BAG88346 . "unnamed protein product [Oryza sativa Japonica Group]" . . . . . 100.00 96 100.00 100.00 5.29e-41 . . . . 5325 1 4 no GB ABF93598 . "Nonspecific lipid-transfer protein 2, putative, expressed [Oryza sativa Japonica Group]" . . . . . 100.00 96 100.00 100.00 5.29e-41 . . . . 5325 1 5 no GB AGV05421 . "nonspecific lipid transfer protein 2 [Oryza sativa]" . . . . . 100.00 96 100.00 100.00 5.29e-41 . . . . 5325 1 6 no GB AIC77182 . "lipid transfer protein 2 [Oryza sativa]" . . . . . 97.10 95 97.01 98.51 1.41e-38 . . . . 5325 1 7 no GB EAY88245 . "hypothetical protein OsI_09696 [Oryza sativa Indica Group]" . . . . . 100.00 95 97.10 97.10 2.77e-39 . . . . 5325 1 8 no GB EAZ25324 . "hypothetical protein OsJ_09135 [Oryza sativa Japonica Group]" . . . . . 100.00 95 100.00 100.00 6.68e-41 . . . . 5325 1 9 no REF NP_001048723 . "Os03g0111300 [Oryza sativa Japonica Group]" . . . . . 100.00 96 100.00 100.00 5.29e-41 . . . . 5325 1 10 no SP A2XBN5 . "RecName: Full=Non-specific lipid-transfer protein 2; Short=nsLTP2; AltName: Full=7 kDa lipid transfer protein; Flags: Precursor" . . . . . 100.00 96 97.10 97.10 2.59e-39 . . . . 5325 1 11 no SP Q10ST8 . "RecName: Full=Non-specific lipid-transfer protein 2; Short=nsLTP2; AltName: Full=7 kDa lipid transfer protein; Flags: Precursor" . . . . . 100.00 96 100.00 100.00 5.29e-41 . . . . 5325 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Plant Lipid Transfer Protein-2' common 5325 1 'Plant nsLTP2' abbreviation 5325 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 . ALA . 5325 1 2 . GLY . 5325 1 3 . CYS . 5325 1 4 . ASN . 5325 1 5 . ALA . 5325 1 6 . GLY . 5325 1 7 . GLN . 5325 1 8 . LEU . 5325 1 9 . THR . 5325 1 10 . VAL . 5325 1 11 . CYS . 5325 1 12 . THR . 5325 1 13 . GLY . 5325 1 14 . ALA . 5325 1 15 . ILE . 5325 1 16 . ALA . 5325 1 17 . GLY . 5325 1 18 . GLY . 5325 1 19 . ALA . 5325 1 20 . ARG . 5325 1 21 . PRO . 5325 1 22 . THR . 5325 1 23 . ALA . 5325 1 24 . ALA . 5325 1 25 . CYS . 5325 1 26 . CYS . 5325 1 27 . SER . 5325 1 28 . SER . 5325 1 29 . LEU . 5325 1 30 . ARG . 5325 1 31 . ALA . 5325 1 32 . GLN . 5325 1 33 . GLN . 5325 1 34 . GLY . 5325 1 35 . CYS . 5325 1 36 . PHE . 5325 1 37 . CYS . 5325 1 38 . GLN . 5325 1 39 . PHE . 5325 1 40 . ALA . 5325 1 41 . LYS . 5325 1 42 . ASP . 5325 1 43 . PRO . 5325 1 44 . ARG . 5325 1 45 . TYR . 5325 1 46 . GLY . 5325 1 47 . ARG . 5325 1 48 . TYR . 5325 1 49 . VAL . 5325 1 50 . ASN . 5325 1 51 . SER . 5325 1 52 . PRO . 5325 1 53 . ASN . 5325 1 54 . ALA . 5325 1 55 . ARG . 5325 1 56 . LYS . 5325 1 57 . ALA . 5325 1 58 . VAL . 5325 1 59 . SER . 5325 1 60 . SER . 5325 1 61 . CYS . 5325 1 62 . GLY . 5325 1 63 . ILE . 5325 1 64 . ALA . 5325 1 65 . LEU . 5325 1 66 . PRO . 5325 1 67 . THR . 5325 1 68 . CYS . 5325 1 69 . HIS . 5325 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 . ALA 1 1 5325 1 . GLY 2 2 5325 1 . CYS 3 3 5325 1 . ASN 4 4 5325 1 . ALA 5 5 5325 1 . GLY 6 6 5325 1 . GLN 7 7 5325 1 . LEU 8 8 5325 1 . THR 9 9 5325 1 . VAL 10 10 5325 1 . CYS 11 11 5325 1 . THR 12 12 5325 1 . GLY 13 13 5325 1 . ALA 14 14 5325 1 . ILE 15 15 5325 1 . ALA 16 16 5325 1 . GLY 17 17 5325 1 . GLY 18 18 5325 1 . ALA 19 19 5325 1 . ARG 20 20 5325 1 . PRO 21 21 5325 1 . THR 22 22 5325 1 . ALA 23 23 5325 1 . ALA 24 24 5325 1 . CYS 25 25 5325 1 . CYS 26 26 5325 1 . SER 27 27 5325 1 . SER 28 28 5325 1 . LEU 29 29 5325 1 . ARG 30 30 5325 1 . ALA 31 31 5325 1 . GLN 32 32 5325 1 . GLN 33 33 5325 1 . GLY 34 34 5325 1 . CYS 35 35 5325 1 . PHE 36 36 5325 1 . CYS 37 37 5325 1 . GLN 38 38 5325 1 . PHE 39 39 5325 1 . ALA 40 40 5325 1 . LYS 41 41 5325 1 . ASP 42 42 5325 1 . PRO 43 43 5325 1 . ARG 44 44 5325 1 . TYR 45 45 5325 1 . GLY 46 46 5325 1 . ARG 47 47 5325 1 . TYR 48 48 5325 1 . VAL 49 49 5325 1 . ASN 50 50 5325 1 . SER 51 51 5325 1 . PRO 52 52 5325 1 . ASN 53 53 5325 1 . ALA 54 54 5325 1 . ARG 55 55 5325 1 . LYS 56 56 5325 1 . ALA 57 57 5325 1 . VAL 58 58 5325 1 . SER 59 59 5325 1 . SER 60 60 5325 1 . CYS 61 61 5325 1 . GLY 62 62 5325 1 . ILE 63 63 5325 1 . ALA 64 64 5325 1 . LEU 65 65 5325 1 . PRO 66 66 5325 1 . THR 67 67 5325 1 . CYS 68 68 5325 1 . HIS 69 69 5325 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 5325 _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 $nsLTP2 . 4530 . . 'Oryza sativa' Rice . . Eukaryota Viridiplantae Oryza sativa . . . . . . . . . . . . . . . . . . . . . 5325 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 5325 _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 $nsLTP2 . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5325 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Plant Lipid Transfer Protein-2' . . . 1 $nsLTP2 . . 3.0 . . mM . . . . 5325 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_I _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_I _Sample_condition_list.Entry_ID 5325 _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 6.4 0.2 n/a 5325 1 temperature 298 2 K 5325 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwin-nmr _Software.Sf_category software _Software.Sf_framecode Xwin-nmr _Software.Entry_ID 5325 _Software.ID 1 _Software.Name Xwin-nmr _Software.Version 2.1 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5325 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 5325 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 5325 _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 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5325 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5325 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5325 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5325 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5325 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5325 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5325 _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 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5325 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_CS_nsLTP2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_nsLTP2 _Assigned_chem_shift_list.Entry_ID 5325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_I _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5325 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 ALA HA H 1 4.792 . . 1 . . . . . . . . 5325 1 2 . 1 1 2 2 GLY H H 1 8.712 . . 1 . . . . . . . . 5325 1 3 . 1 1 2 2 GLY HA2 H 1 5.204 . . 1 . . . . . . . . 5325 1 4 . 1 1 2 2 GLY HA3 H 1 3.066 . . 1 . . . . . . . . 5325 1 5 . 1 1 3 3 CYS H H 1 9.511 . . 1 . . . . . . . . 5325 1 6 . 1 1 3 3 CYS HA H 1 5.033 . . 1 . . . . . . . . 5325 1 7 . 1 1 3 3 CYS HB2 H 1 3.108 . . 1 . . . . . . . . 5325 1 8 . 1 1 3 3 CYS HB3 H 1 2.896 . . 1 . . . . . . . . 5325 1 9 . 1 1 4 4 ASN H H 1 9.042 . . 1 . . . . . . . . 5325 1 10 . 1 1 4 4 ASN HA H 1 3.351 . . 1 . . . . . . . . 5325 1 11 . 1 1 4 4 ASN HB2 H 1 0.5394 . . 1 . . . . . . . . 5325 1 12 . 1 1 4 4 ASN HB3 H 1 0.4291 . . 1 . . . . . . . . 5325 1 13 . 1 1 4 4 ASN HD21 H 1 8.427 . . 1 . . . . . . . . 5325 1 14 . 1 1 4 4 ASN HD22 H 1 9.318 . . 1 . . . . . . . . 5325 1 15 . 1 1 5 5 ALA H H 1 7.631 . . 1 . . . . . . . . 5325 1 16 . 1 1 5 5 ALA HA H 1 4.206 . . 1 . . . . . . . . 5325 1 17 . 1 1 5 5 ALA HB1 H 1 2.141 . . 1 . . . . . . . . 5325 1 18 . 1 1 5 5 ALA HB2 H 1 2.141 . . 1 . . . . . . . . 5325 1 19 . 1 1 5 5 ALA HB3 H 1 2.141 . . 1 . . . . . . . . 5325 1 20 . 1 1 6 6 GLY H H 1 8.428 . . 1 . . . . . . . . 5325 1 21 . 1 1 6 6 GLY HA2 H 1 3.992 . . 1 . . . . . . . . 5325 1 22 . 1 1 6 6 GLY HA3 H 1 3.895 . . 1 . . . . . . . . 5325 1 23 . 1 1 7 7 GLN H H 1 7.634 . . 1 . . . . . . . . 5325 1 24 . 1 1 7 7 GLN HA H 1 4.387 . . 1 . . . . . . . . 5325 1 25 . 1 1 7 7 GLN HB2 H 1 2.607 . . 1 . . . . . . . . 5325 1 26 . 1 1 7 7 GLN HB3 H 1 2.132 . . 1 . . . . . . . . 5325 1 27 . 1 1 7 7 GLN HG2 H 1 2.362 . . 2 . . . . . . . . 5325 1 28 . 1 1 7 7 GLN HE21 H 1 7.000 . . 1 . . . . . . . . 5325 1 29 . 1 1 7 7 GLN HE22 H 1 7.595 . . 1 . . . . . . . . 5325 1 30 . 1 1 8 8 LEU H H 1 7.827 . . 1 . . . . . . . . 5325 1 31 . 1 1 8 8 LEU HA H 1 4.242 . . 1 . . . . . . . . 5325 1 32 . 1 1 8 8 LEU HB2 H 1 1.593 . . 2 . . . . . . . . 5325 1 33 . 1 1 8 8 LEU HG H 1 1.298 . . 2 . . . . . . . . 5325 1 34 . 1 1 8 8 LEU HD11 H 1 0.7777 . . 1 . . . . . . . . 5325 1 35 . 1 1 8 8 LEU HD12 H 1 0.7777 . . 1 . . . . . . . . 5325 1 36 . 1 1 8 8 LEU HD13 H 1 0.7777 . . 1 . . . . . . . . 5325 1 37 . 1 1 8 8 LEU HD21 H 1 0.5801 . . 1 . . . . . . . . 5325 1 38 . 1 1 8 8 LEU HD22 H 1 0.5801 . . 1 . . . . . . . . 5325 1 39 . 1 1 8 8 LEU HD23 H 1 0.5801 . . 1 . . . . . . . . 5325 1 40 . 1 1 9 9 THR H H 1 7.662 . . 1 . . . . . . . . 5325 1 41 . 1 1 9 9 THR HA H 1 4.494 . . 1 . . . . . . . . 5325 1 42 . 1 1 9 9 THR HB H 1 4.131 . . 1 . . . . . . . . 5325 1 43 . 1 1 9 9 THR HG21 H 1 1.482 . . 1 . . . . . . . . 5325 1 44 . 1 1 9 9 THR HG22 H 1 1.482 . . 1 . . . . . . . . 5325 1 45 . 1 1 9 9 THR HG23 H 1 1.482 . . 1 . . . . . . . . 5325 1 46 . 1 1 10 10 VAL H H 1 7.505 . . 1 . . . . . . . . 5325 1 47 . 1 1 10 10 VAL HA H 1 3.376 . . 1 . . . . . . . . 5325 1 48 . 1 1 10 10 VAL HB H 1 2.088 . . 1 . . . . . . . . 5325 1 49 . 1 1 10 10 VAL HG11 H 1 1.986 . . 1 . . . . . . . . 5325 1 50 . 1 1 10 10 VAL HG12 H 1 1.986 . . 1 . . . . . . . . 5325 1 51 . 1 1 10 10 VAL HG13 H 1 1.986 . . 1 . . . . . . . . 5325 1 52 . 1 1 10 10 VAL HG21 H 1 1.764 . . 1 . . . . . . . . 5325 1 53 . 1 1 10 10 VAL HG22 H 1 1.764 . . 1 . . . . . . . . 5325 1 54 . 1 1 10 10 VAL HG23 H 1 1.764 . . 1 . . . . . . . . 5325 1 55 . 1 1 11 11 CYS H H 1 8.462 . . 1 . . . . . . . . 5325 1 56 . 1 1 11 11 CYS HA H 1 5.274 . . 1 . . . . . . . . 5325 1 57 . 1 1 11 11 CYS HB2 H 1 3.593 . . 1 . . . . . . . . 5325 1 58 . 1 1 11 11 CYS HB3 H 1 3.364 . . 1 . . . . . . . . 5325 1 59 . 1 1 12 12 THR H H 1 8.264 . . 1 . . . . . . . . 5325 1 60 . 1 1 12 12 THR HA H 1 3.962 . . 1 . . . . . . . . 5325 1 61 . 1 1 12 12 THR HB H 1 3.751 . . 1 . . . . . . . . 5325 1 62 . 1 1 12 12 THR HG21 H 1 1.441 . . 1 . . . . . . . . 5325 1 63 . 1 1 12 12 THR HG22 H 1 1.441 . . 1 . . . . . . . . 5325 1 64 . 1 1 12 12 THR HG23 H 1 1.441 . . 1 . . . . . . . . 5325 1 65 . 1 1 13 13 GLY H H 1 9.255 . . 1 . . . . . . . . 5325 1 66 . 1 1 13 13 GLY HA2 H 1 4.030 . . 1 . . . . . . . . 5325 1 67 . 1 1 13 13 GLY HA3 H 1 3.998 . . 1 . . . . . . . . 5325 1 68 . 1 1 14 14 ALA H H 1 7.601 . . 1 . . . . . . . . 5325 1 69 . 1 1 14 14 ALA HA H 1 4.85 . . 1 . . . . . . . . 5325 1 70 . 1 1 14 14 ALA HB1 H 1 1.545 . . 1 . . . . . . . . 5325 1 71 . 1 1 14 14 ALA HB2 H 1 1.545 . . 1 . . . . . . . . 5325 1 72 . 1 1 14 14 ALA HB3 H 1 1.545 . . 1 . . . . . . . . 5325 1 73 . 1 1 15 15 ILE H H 1 8.255 . . 1 . . . . . . . . 5325 1 74 . 1 1 15 15 ILE HA H 1 3.79 . . 1 . . . . . . . . 5325 1 75 . 1 1 15 15 ILE HB H 1 1.873 . . 1 . . . . . . . . 5325 1 76 . 1 1 15 15 ILE HG12 H 1 1.624 . . 1 . . . . . . . . 5325 1 77 . 1 1 15 15 ILE HG13 H 1 1.293 . . 1 . . . . . . . . 5325 1 78 . 1 1 15 15 ILE HG21 H 1 0.8624 . . 1 . . . . . . . . 5325 1 79 . 1 1 15 15 ILE HG22 H 1 0.8624 . . 1 . . . . . . . . 5325 1 80 . 1 1 15 15 ILE HG23 H 1 0.8624 . . 1 . . . . . . . . 5325 1 81 . 1 1 15 15 ILE HD11 H 1 0.8065 . . 1 . . . . . . . . 5325 1 82 . 1 1 15 15 ILE HD12 H 1 0.8065 . . 1 . . . . . . . . 5325 1 83 . 1 1 15 15 ILE HD13 H 1 0.8065 . . 1 . . . . . . . . 5325 1 84 . 1 1 16 16 ALA H H 1 8.875 . . 1 . . . . . . . . 5325 1 85 . 1 1 16 16 ALA HA H 1 4.547 . . 1 . . . . . . . . 5325 1 86 . 1 1 16 16 ALA HB1 H 1 1.617 . . 1 . . . . . . . . 5325 1 87 . 1 1 16 16 ALA HB2 H 1 1.617 . . 1 . . . . . . . . 5325 1 88 . 1 1 16 16 ALA HB3 H 1 1.617 . . 1 . . . . . . . . 5325 1 89 . 1 1 17 17 GLY H H 1 7.483 . . 1 . . . . . . . . 5325 1 90 . 1 1 17 17 GLY HA2 H 1 4.423 . . 1 . . . . . . . . 5325 1 91 . 1 1 17 17 GLY HA3 H 1 4.082 . . 1 . . . . . . . . 5325 1 92 . 1 1 18 18 GLY H H 1 7.553 . . 1 . . . . . . . . 5325 1 93 . 1 1 18 18 GLY HA2 H 1 4.162 . . 1 . . . . . . . . 5325 1 94 . 1 1 18 18 GLY HA3 H 1 3.976 . . 1 . . . . . . . . 5325 1 95 . 1 1 19 19 ALA H H 1 7.806 . . 1 . . . . . . . . 5325 1 96 . 1 1 19 19 ALA HA H 1 4.493 . . 1 . . . . . . . . 5325 1 97 . 1 1 19 19 ALA HB1 H 1 1.416 . . 1 . . . . . . . . 5325 1 98 . 1 1 19 19 ALA HB2 H 1 1.416 . . 1 . . . . . . . . 5325 1 99 . 1 1 19 19 ALA HB3 H 1 1.416 . . 1 . . . . . . . . 5325 1 100 . 1 1 20 20 ARG H H 1 8.482 . . 1 . . . . . . . . 5325 1 101 . 1 1 20 20 ARG HA H 1 4.616 . . 1 . . . . . . . . 5325 1 102 . 1 1 20 20 ARG HB2 H 1 1.929 . . 1 . . . . . . . . 5325 1 103 . 1 1 20 20 ARG HB3 H 1 1.910 . . 1 . . . . . . . . 5325 1 104 . 1 1 20 20 ARG HG2 H 1 1.604 . . 2 . . . . . . . . 5325 1 105 . 1 1 20 20 ARG HD2 H 1 3.4 . . 2 . . . . . . . . 5325 1 106 . 1 1 20 20 ARG HE H 1 6.879 . . 1 . . . . . . . . 5325 1 107 . 1 1 20 20 ARG HH11 H 1 7.047 . . 2 . . . . . . . . 5325 1 108 . 1 1 21 21 PRO HA H 1 4.96 . . 1 . . . . . . . . 5325 1 109 . 1 1 21 21 PRO HB2 H 1 1.64 . . 1 . . . . . . . . 5325 1 110 . 1 1 22 22 THR H H 1 8.21 . . 1 . . . . . . . . 5325 1 111 . 1 1 22 22 THR HA H 1 4.492 . . 1 . . . . . . . . 5325 1 112 . 1 1 22 22 THR HB H 1 4.02 . . 1 . . . . . . . . 5325 1 113 . 1 1 22 22 THR HG21 H 1 1.539 . . 1 . . . . . . . . 5325 1 114 . 1 1 22 22 THR HG22 H 1 1.539 . . 1 . . . . . . . . 5325 1 115 . 1 1 22 22 THR HG23 H 1 1.539 . . 1 . . . . . . . . 5325 1 116 . 1 1 23 23 ALA H H 1 9.133 . . 1 . . . . . . . . 5325 1 117 . 1 1 23 23 ALA HA H 1 4.284 . . 1 . . . . . . . . 5325 1 118 . 1 1 23 23 ALA HB1 H 1 1.656 . . 1 . . . . . . . . 5325 1 119 . 1 1 23 23 ALA HB2 H 1 1.656 . . 1 . . . . . . . . 5325 1 120 . 1 1 23 23 ALA HB3 H 1 1.656 . . 1 . . . . . . . . 5325 1 121 . 1 1 24 24 ALA H H 1 8.614 . . 1 . . . . . . . . 5325 1 122 . 1 1 24 24 ALA HA H 1 4.363 . . 1 . . . . . . . . 5325 1 123 . 1 1 24 24 ALA HB1 H 1 1.618 . . 1 . . . . . . . . 5325 1 124 . 1 1 24 24 ALA HB2 H 1 1.618 . . 1 . . . . . . . . 5325 1 125 . 1 1 24 24 ALA HB3 H 1 1.618 . . 1 . . . . . . . . 5325 1 126 . 1 1 25 25 CYS H H 1 7.996 . . 1 . . . . . . . . 5325 1 127 . 1 1 25 25 CYS HA H 1 4.536 . . 1 . . . . . . . . 5325 1 128 . 1 1 25 25 CYS HB2 H 1 3.391 . . 1 . . . . . . . . 5325 1 129 . 1 1 25 25 CYS HB3 H 1 3.319 . . 1 . . . . . . . . 5325 1 130 . 1 1 26 26 CYS H H 1 8.87 . . 1 . . . . . . . . 5325 1 131 . 1 1 26 26 CYS HA H 1 4.88 . . 1 . . . . . . . . 5325 1 132 . 1 1 26 26 CYS HB2 H 1 3.388 . . 1 . . . . . . . . 5325 1 133 . 1 1 26 26 CYS HB3 H 1 3.081 . . 1 . . . . . . . . 5325 1 134 . 1 1 27 27 SER H H 1 8.143 . . 1 . . . . . . . . 5325 1 135 . 1 1 27 27 SER HA H 1 4.547 . . 1 . . . . . . . . 5325 1 136 . 1 1 27 27 SER HB2 H 1 4.026 . . 2 . . . . . . . . 5325 1 137 . 1 1 28 28 SER H H 1 8.882 . . 1 . . . . . . . . 5325 1 138 . 1 1 28 28 SER HA H 1 4.202 . . 1 . . . . . . . . 5325 1 139 . 1 1 28 28 SER HB2 H 1 2.282 . . 2 . . . . . . . . 5325 1 140 . 1 1 29 29 LEU H H 1 8.458 . . 1 . . . . . . . . 5325 1 141 . 1 1 29 29 LEU HA H 1 4.02 . . 1 . . . . . . . . 5325 1 142 . 1 1 29 29 LEU HB2 H 1 2.170 . . 2 . . . . . . . . 5325 1 143 . 1 1 29 29 LEU HG H 1 2.096 . . 2 . . . . . . . . 5325 1 144 . 1 1 29 29 LEU HD11 H 1 1.972 . . 1 . . . . . . . . 5325 1 145 . 1 1 29 29 LEU HD12 H 1 1.972 . . 1 . . . . . . . . 5325 1 146 . 1 1 29 29 LEU HD13 H 1 1.972 . . 1 . . . . . . . . 5325 1 147 . 1 1 29 29 LEU HD21 H 1 1.774 . . 1 . . . . . . . . 5325 1 148 . 1 1 29 29 LEU HD22 H 1 1.774 . . 1 . . . . . . . . 5325 1 149 . 1 1 29 29 LEU HD23 H 1 1.774 . . 1 . . . . . . . . 5325 1 150 . 1 1 30 30 ARG H H 1 8.094 . . 1 . . . . . . . . 5325 1 151 . 1 1 30 30 ARG HA H 1 4.278 . . 1 . . . . . . . . 5325 1 152 . 1 1 30 30 ARG HB2 H 1 1.899 . . 1 . . . . . . . . 5325 1 153 . 1 1 30 30 ARG HB3 H 1 1.736 . . 1 . . . . . . . . 5325 1 154 . 1 1 30 30 ARG HG2 H 1 1.619 . . 2 . . . . . . . . 5325 1 155 . 1 1 30 30 ARG HD2 H 1 2.089 . . 2 . . . . . . . . 5325 1 156 . 1 1 30 30 ARG HE H 1 7.784 . . 1 . . . . . . . . 5325 1 157 . 1 1 30 30 ARG HH11 H 1 8.210 . . 2 . . . . . . . . 5325 1 158 . 1 1 31 31 ALA H H 1 8.031 . . 1 . . . . . . . . 5325 1 159 . 1 1 31 31 ALA HA H 1 4.167 . . 1 . . . . . . . . 5325 1 160 . 1 1 31 31 ALA HB1 H 1 1.602 . . 1 . . . . . . . . 5325 1 161 . 1 1 31 31 ALA HB2 H 1 1.602 . . 1 . . . . . . . . 5325 1 162 . 1 1 31 31 ALA HB3 H 1 1.602 . . 1 . . . . . . . . 5325 1 163 . 1 1 32 32 GLN H H 1 7.565 . . 1 . . . . . . . . 5325 1 164 . 1 1 32 32 GLN HA H 1 3.488 . . 1 . . . . . . . . 5325 1 165 . 1 1 32 32 GLN HB2 H 1 1.982 . . 1 . . . . . . . . 5325 1 166 . 1 1 32 32 GLN HB3 H 1 1.759 . . 1 . . . . . . . . 5325 1 167 . 1 1 32 32 GLN HG2 H 1 2.155 . . 1 . . . . . . . . 5325 1 168 . 1 1 32 32 GLN HG3 H 1 2.093 . . 1 . . . . . . . . 5325 1 169 . 1 1 32 32 GLN HE21 H 1 7.133 . . 1 . . . . . . . . 5325 1 170 . 1 1 32 32 GLN HE22 H 1 7.853 . . 1 . . . . . . . . 5325 1 171 . 1 1 33 33 GLN H H 1 7.847 . . 1 . . . . . . . . 5325 1 172 . 1 1 33 33 GLN HA H 1 4.654 . . 1 . . . . . . . . 5325 1 173 . 1 1 33 33 GLN HB2 H 1 2.046 . . 1 . . . . . . . . 5325 1 174 . 1 1 33 33 GLN HB3 H 1 2.456 . . 1 . . . . . . . . 5325 1 175 . 1 1 33 33 GLN HG2 H 1 2.659 . . 1 . . . . . . . . 5325 1 176 . 1 1 33 33 GLN HG3 H 1 2.898 . . 1 . . . . . . . . 5325 1 177 . 1 1 33 33 GLN HE21 H 1 7.006 . . 1 . . . . . . . . 5325 1 178 . 1 1 33 33 GLN HE22 H 1 7.345 . . 1 . . . . . . . . 5325 1 179 . 1 1 34 34 GLY H H 1 8.928 . . 1 . . . . . . . . 5325 1 180 . 1 1 34 34 GLY HA2 H 1 4.142 . . 1 . . . . . . . . 5325 1 181 . 1 1 34 34 GLY HA3 H 1 3.895 . . 1 . . . . . . . . 5325 1 182 . 1 1 35 35 CYS H H 1 8.242 . . 1 . . . . . . . . 5325 1 183 . 1 1 35 35 CYS HA H 1 4.653 . . 1 . . . . . . . . 5325 1 184 . 1 1 35 35 CYS HB2 H 1 2.985 . . 1 . . . . . . . . 5325 1 185 . 1 1 35 35 CYS HB3 H 1 2.170 . . 1 . . . . . . . . 5325 1 186 . 1 1 36 36 PHE H H 1 7.585 . . 1 . . . . . . . . 5325 1 187 . 1 1 36 36 PHE HA H 1 4.429 . . 1 . . . . . . . . 5325 1 188 . 1 1 36 36 PHE HB2 H 1 3.488 . . 1 . . . . . . . . 5325 1 189 . 1 1 36 36 PHE HB3 H 1 3.371 . . 1 . . . . . . . . 5325 1 190 . 1 1 36 36 PHE HD1 H 1 7.25 . . 3 . . . . . . . . 5325 1 191 . 1 1 36 36 PHE HE1 H 1 7.35 . . 3 . . . . . . . . 5325 1 192 . 1 1 36 36 PHE HZ H 1 7.307 . . 1 . . . . . . . . 5325 1 193 . 1 1 37 37 CYS H H 1 8.95 . . 1 . . . . . . . . 5325 1 194 . 1 1 37 37 CYS HA H 1 4.836 . . 1 . . . . . . . . 5325 1 195 . 1 1 37 37 CYS HB2 H 1 3.347 . . 1 . . . . . . . . 5325 1 196 . 1 1 37 37 CYS HB3 H 1 3.063 . . 1 . . . . . . . . 5325 1 197 . 1 1 38 38 GLN H H 1 8.005 . . 1 . . . . . . . . 5325 1 198 . 1 1 38 38 GLN HA H 1 4.328 . . 1 . . . . . . . . 5325 1 199 . 1 1 38 38 GLN HB2 H 1 2.271 . . 1 . . . . . . . . 5325 1 200 . 1 1 38 38 GLN HB3 H 1 2.224 . . 1 . . . . . . . . 5325 1 201 . 1 1 38 38 GLN HG2 H 1 2.574 . . 2 . . . . . . . . 5325 1 202 . 1 1 38 38 GLN HE21 H 1 2.532 . . 2 . . . . . . . . 5325 1 203 . 1 1 39 39 PHE H H 1 8.397 . . 1 . . . . . . . . 5325 1 204 . 1 1 39 39 PHE HA H 1 4.944 . . 1 . . . . . . . . 5325 1 205 . 1 1 39 39 PHE HB2 H 1 3.392 . . 1 . . . . . . . . 5325 1 206 . 1 1 39 39 PHE HB3 H 1 3.311 . . 1 . . . . . . . . 5325 1 207 . 1 1 39 39 PHE HD1 H 1 7.244 . . 3 . . . . . . . . 5325 1 208 . 1 1 39 39 PHE HE1 H 1 7.318 . . 3 . . . . . . . . 5325 1 209 . 1 1 39 39 PHE HZ H 1 7.253 . . 1 . . . . . . . . 5325 1 210 . 1 1 40 40 ALA H H 1 8.282 . . 1 . . . . . . . . 5325 1 211 . 1 1 40 40 ALA HA H 1 4.164 . . 1 . . . . . . . . 5325 1 212 . 1 1 40 40 ALA HB1 H 1 1.738 . . 1 . . . . . . . . 5325 1 213 . 1 1 40 40 ALA HB2 H 1 1.738 . . 1 . . . . . . . . 5325 1 214 . 1 1 40 40 ALA HB3 H 1 1.738 . . 1 . . . . . . . . 5325 1 215 . 1 1 41 41 LYS H H 1 7.379 . . 1 . . . . . . . . 5325 1 216 . 1 1 41 41 LYS HA H 1 4.531 . . 1 . . . . . . . . 5325 1 217 . 1 1 41 41 LYS HB2 H 1 1.906 . . 1 . . . . . . . . 5325 1 218 . 1 1 41 41 LYS HB3 H 1 1.786 . . 1 . . . . . . . . 5325 1 219 . 1 1 41 41 LYS HG2 H 1 1.708 . . 2 . . . . . . . . 5325 1 220 . 1 1 41 41 LYS HD2 H 1 2.035 . . 2 . . . . . . . . 5325 1 221 . 1 1 41 41 LYS HE2 H 1 3.408 . . 2 . . . . . . . . 5325 1 222 . 1 1 42 42 ASP H H 1 7.921 . . 1 . . . . . . . . 5325 1 223 . 1 1 42 42 ASP HA H 1 5.225 . . 1 . . . . . . . . 5325 1 224 . 1 1 42 42 ASP HB2 H 1 3.417 . . 1 . . . . . . . . 5325 1 225 . 1 1 42 42 ASP HB3 H 1 3.011 . . 1 . . . . . . . . 5325 1 226 . 1 1 43 43 PRO HA H 1 4.554 . . 1 . . . . . . . . 5325 1 227 . 1 1 43 43 PRO HB2 H 1 2.595 . . 1 . . . . . . . . 5325 1 228 . 1 1 43 43 PRO HB3 H 1 2.250 . . 1 . . . . . . . . 5325 1 229 . 1 1 43 43 PRO HG2 H 1 2.167 . . 2 . . . . . . . . 5325 1 230 . 1 1 43 43 PRO HD2 H 1 4.184 . . 2 . . . . . . . . 5325 1 231 . 1 1 44 44 ARG H H 1 8.69 . . 1 . . . . . . . . 5325 1 232 . 1 1 44 44 ARG HA H 1 4.248 . . 1 . . . . . . . . 5325 1 233 . 1 1 44 44 ARG HB2 H 1 1.583 . . 1 . . . . . . . . 5325 1 234 . 1 1 44 44 ARG HB3 H 1 1.461 . . 1 . . . . . . . . 5325 1 235 . 1 1 44 44 ARG HG2 H 1 1.412 . . 2 . . . . . . . . 5325 1 236 . 1 1 44 44 ARG HE H 1 6.763 . . 1 . . . . . . . . 5325 1 237 . 1 1 44 44 ARG HH11 H 1 7.179 . . 2 . . . . . . . . 5325 1 238 . 1 1 45 45 TYR H H 1 7.977 . . 1 . . . . . . . . 5325 1 239 . 1 1 45 45 TYR HA H 1 5.019 . . 1 . . . . . . . . 5325 1 240 . 1 1 45 45 TYR HB2 H 1 3.254 . . 1 . . . . . . . . 5325 1 241 . 1 1 45 45 TYR HB3 H 1 2.882 . . 1 . . . . . . . . 5325 1 242 . 1 1 45 45 TYR HD1 H 1 7.017 . . 3 . . . . . . . . 5325 1 243 . 1 1 45 45 TYR HE1 H 1 7.186 . . 3 . . . . . . . . 5325 1 244 . 1 1 46 46 GLY H H 1 8.694 . . 1 . . . . . . . . 5325 1 245 . 1 1 46 46 GLY HA2 H 1 4.191 . . 1 . . . . . . . . 5325 1 246 . 1 1 46 46 GLY HA3 H 1 4.077 . . 1 . . . . . . . . 5325 1 247 . 1 1 47 47 ARG H H 1 7.453 . . 1 . . . . . . . . 5325 1 248 . 1 1 47 47 ARG HA H 1 3.276 . . 1 . . . . . . . . 5325 1 249 . 1 1 47 47 ARG HB2 H 1 1.586 . . 1 . . . . . . . . 5325 1 250 . 1 1 47 47 ARG HB3 H 1 1.466 . . 1 . . . . . . . . 5325 1 251 . 1 1 47 47 ARG HG2 H 1 1.424 . . 1 . . . . . . . . 5325 1 252 . 1 1 47 47 ARG HG3 H 1 1.326 . . 1 . . . . . . . . 5325 1 253 . 1 1 47 47 ARG HD2 H 1 3.099 . . 2 . . . . . . . . 5325 1 254 . 1 1 47 47 ARG HE H 1 6.768 . . 1 . . . . . . . . 5325 1 255 . 1 1 47 47 ARG HH11 H 1 7.013 . . 2 . . . . . . . . 5325 1 256 . 1 1 48 48 TYR H H 1 8.388 . . 1 . . . . . . . . 5325 1 257 . 1 1 48 48 TYR HA H 1 5.062 . . 1 . . . . . . . . 5325 1 258 . 1 1 48 48 TYR HB2 H 1 3.093 . . 1 . . . . . . . . 5325 1 259 . 1 1 48 48 TYR HB3 H 1 2.871 . . 1 . . . . . . . . 5325 1 260 . 1 1 48 48 TYR HD1 H 1 7.129 . . 3 . . . . . . . . 5325 1 261 . 1 1 48 48 TYR HE1 H 1 7.633 . . 3 . . . . . . . . 5325 1 262 . 1 1 49 49 VAL H H 1 7.727 . . 1 . . . . . . . . 5325 1 263 . 1 1 49 49 VAL HA H 1 3.185 . . 1 . . . . . . . . 5325 1 264 . 1 1 49 49 VAL HB H 1 2.254 . . 1 . . . . . . . . 5325 1 265 . 1 1 49 49 VAL HG11 H 1 1.898 . . 1 . . . . . . . . 5325 1 266 . 1 1 49 49 VAL HG12 H 1 1.898 . . 1 . . . . . . . . 5325 1 267 . 1 1 49 49 VAL HG13 H 1 1.898 . . 1 . . . . . . . . 5325 1 268 . 1 1 49 49 VAL HG21 H 1 1.798 . . 1 . . . . . . . . 5325 1 269 . 1 1 49 49 VAL HG22 H 1 1.798 . . 1 . . . . . . . . 5325 1 270 . 1 1 49 49 VAL HG23 H 1 1.798 . . 1 . . . . . . . . 5325 1 271 . 1 1 50 50 ASN H H 1 8.376 . . 1 . . . . . . . . 5325 1 272 . 1 1 50 50 ASN HA H 1 4.325 . . 1 . . . . . . . . 5325 1 273 . 1 1 50 50 ASN HB2 H 1 1.848 . . 1 . . . . . . . . 5325 1 274 . 1 1 50 50 ASN HB3 H 1 1.094 . . 1 . . . . . . . . 5325 1 275 . 1 1 50 50 ASN HD21 H 1 7.953 . . 1 . . . . . . . . 5325 1 276 . 1 1 50 50 ASN HD22 H 1 8.280 . . 1 . . . . . . . . 5325 1 277 . 1 1 51 51 SER H H 1 7.408 . . 1 . . . . . . . . 5325 1 278 . 1 1 51 51 SER HA H 1 4.558 . . 1 . . . . . . . . 5325 1 279 . 1 1 51 51 SER HB2 H 1 2.271 . . 2 . . . . . . . . 5325 1 280 . 1 1 52 52 PRO HA H 1 4.192 . . 1 . . . . . . . . 5325 1 281 . 1 1 52 52 PRO HB2 H 1 2.615 . . 1 . . . . . . . . 5325 1 282 . 1 1 52 52 PRO HB3 H 1 2.397 . . 1 . . . . . . . . 5325 1 283 . 1 1 52 52 PRO HG2 H 1 2.407 . . 1 . . . . . . . . 5325 1 284 . 1 1 52 52 PRO HG3 H 1 2.607 . . 1 . . . . . . . . 5325 1 285 . 1 1 52 52 PRO HD2 H 1 2.261 . . 1 . . . . . . . . 5325 1 286 . 1 1 52 52 PRO HD3 H 1 2.162 . . 1 . . . . . . . . 5325 1 287 . 1 1 53 53 ASN H H 1 9.034 . . 1 . . . . . . . . 5325 1 288 . 1 1 53 53 ASN HA H 1 4.71 . . 1 . . . . . . . . 5325 1 289 . 1 1 53 53 ASN HB2 H 1 3.207 . . 1 . . . . . . . . 5325 1 290 . 1 1 53 53 ASN HB3 H 1 3.106 . . 1 . . . . . . . . 5325 1 291 . 1 1 53 53 ASN HD21 H 1 7.015 . . 1 . . . . . . . . 5325 1 292 . 1 1 53 53 ASN HD22 H 1 7.631 . . 1 . . . . . . . . 5325 1 293 . 1 1 54 54 ALA H H 1 8.138 . . 1 . . . . . . . . 5325 1 294 . 1 1 54 54 ALA HA H 1 4.165 . . 1 . . . . . . . . 5325 1 295 . 1 1 54 54 ALA HB1 H 1 1.622 . . 1 . . . . . . . . 5325 1 296 . 1 1 54 54 ALA HB2 H 1 1.622 . . 1 . . . . . . . . 5325 1 297 . 1 1 54 54 ALA HB3 H 1 1.622 . . 1 . . . . . . . . 5325 1 298 . 1 1 55 55 ARG H H 1 7.703 . . 1 . . . . . . . . 5325 1 299 . 1 1 55 55 ARG HA H 1 3.163 . . 1 . . . . . . . . 5325 1 300 . 1 1 55 55 ARG HB2 H 1 2.088 . . 1 . . . . . . . . 5325 1 301 . 1 1 55 55 ARG HB3 H 1 1.895 . . 1 . . . . . . . . 5325 1 302 . 1 1 55 55 ARG HG2 H 1 1.731 . . 2 . . . . . . . . 5325 1 303 . 1 1 55 55 ARG HD2 H 1 1.615 . . 2 . . . . . . . . 5325 1 304 . 1 1 55 55 ARG HE H 1 6.877 . . 1 . . . . . . . . 5325 1 305 . 1 1 55 55 ARG HH11 H 1 7.250 . . 2 . . . . . . . . 5325 1 306 . 1 1 56 56 LYS H H 1 7.149 . . 1 . . . . . . . . 5325 1 307 . 1 1 56 56 LYS HA H 1 3.162 . . 1 . . . . . . . . 5325 1 308 . 1 1 56 56 LYS HB2 H 1 1.865 . . 1 . . . . . . . . 5325 1 309 . 1 1 56 56 LYS HB3 H 1 1.819 . . 1 . . . . . . . . 5325 1 310 . 1 1 56 56 LYS HG2 H 1 1.479 . . 2 . . . . . . . . 5325 1 311 . 1 1 56 56 LYS HD2 H 1 1.094 . . 2 . . . . . . . . 5325 1 312 . 1 1 56 56 LYS HE2 H 1 8.371 . . 2 . . . . . . . . 5325 1 313 . 1 1 57 57 ALA H H 1 8.034 . . 1 . . . . . . . . 5325 1 314 . 1 1 57 57 ALA HA H 1 4.424 . . 1 . . . . . . . . 5325 1 315 . 1 1 57 57 ALA HB1 H 1 1.834 . . 1 . . . . . . . . 5325 1 316 . 1 1 57 57 ALA HB2 H 1 1.834 . . 1 . . . . . . . . 5325 1 317 . 1 1 57 57 ALA HB3 H 1 1.834 . . 1 . . . . . . . . 5325 1 318 . 1 1 58 58 VAL H H 1 7.618 . . 1 . . . . . . . . 5325 1 319 . 1 1 58 58 VAL HA H 1 4.229 . . 1 . . . . . . . . 5325 1 320 . 1 1 58 58 VAL HB H 1 2.164 . . 1 . . . . . . . . 5325 1 321 . 1 1 58 58 VAL HG11 H 1 1.115 . . 1 . . . . . . . . 5325 1 322 . 1 1 58 58 VAL HG12 H 1 1.115 . . 1 . . . . . . . . 5325 1 323 . 1 1 58 58 VAL HG13 H 1 1.115 . . 1 . . . . . . . . 5325 1 324 . 1 1 58 58 VAL HG21 H 1 0.9032 . . 1 . . . . . . . . 5325 1 325 . 1 1 58 58 VAL HG22 H 1 0.9032 . . 1 . . . . . . . . 5325 1 326 . 1 1 58 58 VAL HG23 H 1 0.9032 . . 1 . . . . . . . . 5325 1 327 . 1 1 59 59 SER H H 1 8.399 . . 1 . . . . . . . . 5325 1 328 . 1 1 59 59 SER HA H 1 4.307 . . 1 . . . . . . . . 5325 1 329 . 1 1 59 59 SER HB2 H 1 4.146 . . 2 . . . . . . . . 5325 1 330 . 1 1 60 60 SER H H 1 8.776 . . 1 . . . . . . . . 5325 1 331 . 1 1 60 60 SER HA H 1 4.521 . . 1 . . . . . . . . 5325 1 332 . 1 1 60 60 SER HB2 H 1 4.29 . . 2 . . . . . . . . 5325 1 333 . 1 1 61 61 CYS H H 1 7.937 . . 1 . . . . . . . . 5325 1 334 . 1 1 61 61 CYS HA H 1 4.912 . . 1 . . . . . . . . 5325 1 335 . 1 1 61 61 CYS HB2 H 1 3.317 . . 1 . . . . . . . . 5325 1 336 . 1 1 61 61 CYS HB3 H 1 3.126 . . 1 . . . . . . . . 5325 1 337 . 1 1 62 62 GLY H H 1 8.432 . . 1 . . . . . . . . 5325 1 338 . 1 1 62 62 GLY HA2 H 1 4.250 . . 1 . . . . . . . . 5325 1 339 . 1 1 62 62 GLY HA3 H 1 4.069 . . 1 . . . . . . . . 5325 1 340 . 1 1 63 63 ILE H H 1 7.535 . . 1 . . . . . . . . 5325 1 341 . 1 1 63 63 ILE HA H 1 4.272 . . 1 . . . . . . . . 5325 1 342 . 1 1 63 63 ILE HB H 1 1.881 . . 1 . . . . . . . . 5325 1 343 . 1 1 63 63 ILE HG12 H 1 1.202 . . 2 . . . . . . . . 5325 1 344 . 1 1 63 63 ILE HG21 H 1 1.087 . . 1 . . . . . . . . 5325 1 345 . 1 1 63 63 ILE HG22 H 1 1.087 . . 1 . . . . . . . . 5325 1 346 . 1 1 63 63 ILE HG23 H 1 1.087 . . 1 . . . . . . . . 5325 1 347 . 1 1 63 63 ILE HD11 H 1 1.04 . . 1 . . . . . . . . 5325 1 348 . 1 1 63 63 ILE HD12 H 1 1.04 . . 1 . . . . . . . . 5325 1 349 . 1 1 63 63 ILE HD13 H 1 1.04 . . 1 . . . . . . . . 5325 1 350 . 1 1 64 64 ALA H H 1 8.607 . . 1 . . . . . . . . 5325 1 351 . 1 1 64 64 ALA HA H 1 4.474 . . 1 . . . . . . . . 5325 1 352 . 1 1 64 64 ALA HB1 H 1 1.485 . . 1 . . . . . . . . 5325 1 353 . 1 1 64 64 ALA HB2 H 1 1.485 . . 1 . . . . . . . . 5325 1 354 . 1 1 64 64 ALA HB3 H 1 1.485 . . 1 . . . . . . . . 5325 1 355 . 1 1 65 65 LEU H H 1 8.521 . . 1 . . . . . . . . 5325 1 356 . 1 1 65 65 LEU HA H 1 4.624 . . 1 . . . . . . . . 5325 1 357 . 1 1 65 65 LEU HB2 H 1 1.876 . . 1 . . . . . . . . 5325 1 358 . 1 1 65 65 LEU HB3 H 1 1.805 . . 1 . . . . . . . . 5325 1 359 . 1 1 65 65 LEU HG H 1 1.718 . . 1 . . . . . . . . 5325 1 360 . 1 1 65 65 LEU HD11 H 1 1.072 . . 1 . . . . . . . . 5325 1 361 . 1 1 65 65 LEU HD12 H 1 1.072 . . 1 . . . . . . . . 5325 1 362 . 1 1 65 65 LEU HD13 H 1 1.072 . . 1 . . . . . . . . 5325 1 363 . 1 1 65 65 LEU HD21 H 1 1.016 . . 1 . . . . . . . . 5325 1 364 . 1 1 65 65 LEU HD22 H 1 1.016 . . 1 . . . . . . . . 5325 1 365 . 1 1 65 65 LEU HD23 H 1 1.016 . . 1 . . . . . . . . 5325 1 366 . 1 1 66 66 PRO HA H 1 3.587 . . 1 . . . . . . . . 5325 1 367 . 1 1 66 66 PRO HB2 H 1 2.336 . . 1 . . . . . . . . 5325 1 368 . 1 1 66 66 PRO HB3 H 1 1.902 . . 1 . . . . . . . . 5325 1 369 . 1 1 66 66 PRO HG2 H 1 1.189 . . 1 . . . . . . . . 5325 1 370 . 1 1 66 66 PRO HG3 H 1 1.091 . . 1 . . . . . . . . 5325 1 371 . 1 1 66 66 PRO HD2 H 1 3.114 . . 2 . . . . . . . . 5325 1 372 . 1 1 67 67 THR H H 1 8.708 . . 1 . . . . . . . . 5325 1 373 . 1 1 67 67 THR HA H 1 4.453 . . 1 . . . . . . . . 5325 1 374 . 1 1 67 67 THR HB H 1 4.227 . . 1 . . . . . . . . 5325 1 375 . 1 1 67 67 THR HG21 H 1 1.302 . . 1 . . . . . . . . 5325 1 376 . 1 1 67 67 THR HG22 H 1 1.302 . . 1 . . . . . . . . 5325 1 377 . 1 1 67 67 THR HG23 H 1 1.302 . . 1 . . . . . . . . 5325 1 378 . 1 1 68 68 CYS H H 1 8.793 . . 1 . . . . . . . . 5325 1 379 . 1 1 68 68 CYS HA H 1 5.002 . . 1 . . . . . . . . 5325 1 380 . 1 1 68 68 CYS HB2 H 1 3.481 . . 1 . . . . . . . . 5325 1 381 . 1 1 68 68 CYS HB3 H 1 2.882 . . 1 . . . . . . . . 5325 1 382 . 1 1 69 69 HIS H H 1 8.548 . . 1 . . . . . . . . 5325 1 383 . 1 1 69 69 HIS HA H 1 4.717 . . 1 . . . . . . . . 5325 1 384 . 1 1 69 69 HIS HB2 H 1 3.464 . . 1 . . . . . . . . 5325 1 385 . 1 1 69 69 HIS HB3 H 1 3.278 . . 1 . . . . . . . . 5325 1 stop_ save_