data_6089 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6089 _Entry.Title ; 1H Chemical Shift Assignments of non-specific Lipid Transfer Protein 1 Isolated from Seeds of Mung Bean ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-03 _Entry.Accession_date 2004-02-03 _Entry.Last_release_date 2004-02-03 _Entry.Original_release_date 2004-02-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Liu Yu-Nan . . . . 6089 2 Hsu Shang-Te . . . . 6089 3 Samuel Dharmaraj . . . . 6089 4 Lin Ku-Feng . . . . 6089 5 Bonvin Alexandre . M.J.J. . . 6089 6 Lyu Ping-Chiang . . . . 6089 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6089 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 584 6089 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 . . 2005-05-26 . original BMRB . 6089 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1SIY 'BMRB Entry Tracking System' 6089 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6089 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15823028 _Citation.Full_citation . _Citation.Title ; Soluting the molecular structure of mung bean lipid transfer protein 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 15 _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 5703 _Citation.Page_last 5712 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ku-Feng Lin . . . . 6089 1 2 Yu-Nan Liu . . . . 6089 1 3 Shang-Te Hsu . . . . 6089 1 4 Dharmaraj Samuel . . . . 6089 1 5 C. Cheng . S. . . 6089 1 6 Alexandre Bonvin . M.J.J. . . 6089 1 7 Ping-Chiang Lyu . . . . 6089 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ns-LTP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ns-LTP1 _Assembly.Entry_ID 6089 _Assembly.ID 1 _Assembly.Name 'Lipid transfer protein 1' _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 'all disulfide bound' _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 6089 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 ns-LTP1 1 $ns-LTP1 . . . native . . . . . 6089 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . . . 6089 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . . . 6089 1 3 disulfide single . 1 . 1 CYS 28 28 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . . . 6089 1 4 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . . . 6089 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Lipid transfer protein 1' system 6089 1 ns-LTP1 abbreviation 6089 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Lipid transfer' 6089 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ns-LTP1 _Entity.Sf_category entity _Entity.Sf_framecode ns-LTP1 _Entity.Entry_ID 6089 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'non-specific lipid transfer protein 1' _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 ; MTCGQVQGNLAQCIGFLQKG GVVPPSCCTGVKNILNSSRT TADRRAVCSCLKAAAGAVRG INPNNAEALPGKCGVNIPYK ISTSTNCNSIN ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9290 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 1SIY . 'Nmr Structure Of Mung Bean Non-Specific Lipid Transfer Protein 1' . . . . . 100.00 91 100.00 100.00 3.09e-44 . . . . 6089 1 2 no SWISS-PROT P83434 . 'Non-specific lipid-transfer protein 1 (NS-LTP1) (LTP 1)' . . . . . 100.00 91 100.00 100.00 3.09e-44 . . . . 6089 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'non-specific lipid transfer protein 1' common 6089 1 nsLTP1 abbreviation 6089 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6089 1 2 . THR . 6089 1 3 . CYS . 6089 1 4 . GLY . 6089 1 5 . GLN . 6089 1 6 . VAL . 6089 1 7 . GLN . 6089 1 8 . GLY . 6089 1 9 . ASN . 6089 1 10 . LEU . 6089 1 11 . ALA . 6089 1 12 . GLN . 6089 1 13 . CYS . 6089 1 14 . ILE . 6089 1 15 . GLY . 6089 1 16 . PHE . 6089 1 17 . LEU . 6089 1 18 . GLN . 6089 1 19 . LYS . 6089 1 20 . GLY . 6089 1 21 . GLY . 6089 1 22 . VAL . 6089 1 23 . VAL . 6089 1 24 . PRO . 6089 1 25 . PRO . 6089 1 26 . SER . 6089 1 27 . CYS . 6089 1 28 . CYS . 6089 1 29 . THR . 6089 1 30 . GLY . 6089 1 31 . VAL . 6089 1 32 . LYS . 6089 1 33 . ASN . 6089 1 34 . ILE . 6089 1 35 . LEU . 6089 1 36 . ASN . 6089 1 37 . SER . 6089 1 38 . SER . 6089 1 39 . ARG . 6089 1 40 . THR . 6089 1 41 . THR . 6089 1 42 . ALA . 6089 1 43 . ASP . 6089 1 44 . ARG . 6089 1 45 . ARG . 6089 1 46 . ALA . 6089 1 47 . VAL . 6089 1 48 . CYS . 6089 1 49 . SER . 6089 1 50 . CYS . 6089 1 51 . LEU . 6089 1 52 . LYS . 6089 1 53 . ALA . 6089 1 54 . ALA . 6089 1 55 . ALA . 6089 1 56 . GLY . 6089 1 57 . ALA . 6089 1 58 . VAL . 6089 1 59 . ARG . 6089 1 60 . GLY . 6089 1 61 . ILE . 6089 1 62 . ASN . 6089 1 63 . PRO . 6089 1 64 . ASN . 6089 1 65 . ASN . 6089 1 66 . ALA . 6089 1 67 . GLU . 6089 1 68 . ALA . 6089 1 69 . LEU . 6089 1 70 . PRO . 6089 1 71 . GLY . 6089 1 72 . LYS . 6089 1 73 . CYS . 6089 1 74 . GLY . 6089 1 75 . VAL . 6089 1 76 . ASN . 6089 1 77 . ILE . 6089 1 78 . PRO . 6089 1 79 . TYR . 6089 1 80 . LYS . 6089 1 81 . ILE . 6089 1 82 . SER . 6089 1 83 . THR . 6089 1 84 . SER . 6089 1 85 . THR . 6089 1 86 . ASN . 6089 1 87 . CYS . 6089 1 88 . ASN . 6089 1 89 . SER . 6089 1 90 . ILE . 6089 1 91 . ASN . 6089 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6089 1 . THR 2 2 6089 1 . CYS 3 3 6089 1 . GLY 4 4 6089 1 . GLN 5 5 6089 1 . VAL 6 6 6089 1 . GLN 7 7 6089 1 . GLY 8 8 6089 1 . ASN 9 9 6089 1 . LEU 10 10 6089 1 . ALA 11 11 6089 1 . GLN 12 12 6089 1 . CYS 13 13 6089 1 . ILE 14 14 6089 1 . GLY 15 15 6089 1 . PHE 16 16 6089 1 . LEU 17 17 6089 1 . GLN 18 18 6089 1 . LYS 19 19 6089 1 . GLY 20 20 6089 1 . GLY 21 21 6089 1 . VAL 22 22 6089 1 . VAL 23 23 6089 1 . PRO 24 24 6089 1 . PRO 25 25 6089 1 . SER 26 26 6089 1 . CYS 27 27 6089 1 . CYS 28 28 6089 1 . THR 29 29 6089 1 . GLY 30 30 6089 1 . VAL 31 31 6089 1 . LYS 32 32 6089 1 . ASN 33 33 6089 1 . ILE 34 34 6089 1 . LEU 35 35 6089 1 . ASN 36 36 6089 1 . SER 37 37 6089 1 . SER 38 38 6089 1 . ARG 39 39 6089 1 . THR 40 40 6089 1 . THR 41 41 6089 1 . ALA 42 42 6089 1 . ASP 43 43 6089 1 . ARG 44 44 6089 1 . ARG 45 45 6089 1 . ALA 46 46 6089 1 . VAL 47 47 6089 1 . CYS 48 48 6089 1 . SER 49 49 6089 1 . CYS 50 50 6089 1 . LEU 51 51 6089 1 . LYS 52 52 6089 1 . ALA 53 53 6089 1 . ALA 54 54 6089 1 . ALA 55 55 6089 1 . GLY 56 56 6089 1 . ALA 57 57 6089 1 . VAL 58 58 6089 1 . ARG 59 59 6089 1 . GLY 60 60 6089 1 . ILE 61 61 6089 1 . ASN 62 62 6089 1 . PRO 63 63 6089 1 . ASN 64 64 6089 1 . ASN 65 65 6089 1 . ALA 66 66 6089 1 . GLU 67 67 6089 1 . ALA 68 68 6089 1 . LEU 69 69 6089 1 . PRO 70 70 6089 1 . GLY 71 71 6089 1 . LYS 72 72 6089 1 . CYS 73 73 6089 1 . GLY 74 74 6089 1 . VAL 75 75 6089 1 . ASN 76 76 6089 1 . ILE 77 77 6089 1 . PRO 78 78 6089 1 . TYR 79 79 6089 1 . LYS 80 80 6089 1 . ILE 81 81 6089 1 . SER 82 82 6089 1 . THR 83 83 6089 1 . SER 84 84 6089 1 . THR 85 85 6089 1 . ASN 86 86 6089 1 . CYS 87 87 6089 1 . ASN 88 88 6089 1 . SER 89 89 6089 1 . ILE 90 90 6089 1 . ASN 91 91 6089 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 6089 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ns-LTP1 . 157791 . . 'Vigna radiata' 'Mung bean' . . Eukaryota Viridiplantae Vigna radiata . . seed . . . . . . . . . . 6089 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 6089 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ns-LTP1 . 'purified from the natural source' . . . . . . . . . . . . . . . ; Isolation from the seeds of Vigna radiata var. radiate, and purification by S25-Sepharose cation exchange and RP-HPLC. ; 6089 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6089 _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 'non-specific lipid transfer protein 1' . . . 1 $ns-LTP1 . . 3 . . mM . . . . 6089 1 stop_ save_ ####################### # Sample conditions # ####################### save_Experiment-condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Experiment-condition _Sample_condition_list.Entry_ID 6089 _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 3.0 0.2 pH 6089 1 temperature 298 1 K 6089 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwin-nmr _Software.Sf_category software _Software.Sf_framecode Xwin-nmr _Software.Entry_ID 6089 _Software.ID 1 _Software.Type . _Software.Name Xwin-nmr _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 6089 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6089 _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 6089 _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 . . . 6089 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 6089 _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 '1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6089 1 2 '1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6089 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6089 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.0 internal . . . . 6089 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6089 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Experiment-condition _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 '1H NOESY' 1 $sample_1 . 6089 1 2 '1H TOCSY' 1 $sample_1 . 6089 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.404 0.005 . 1 . . . . . . . . . 6089 1 2 . 1 1 1 1 MET HB2 H 1 2.321 0.005 . 1 . . . . . . . . . 6089 1 3 . 1 1 1 1 MET HB3 H 1 2.15 0.005 . 1 . . . . . . . . . 6089 1 4 . 1 1 1 1 MET HG2 H 1 2.894 0.005 . 1 . . . . . . . . . 6089 1 5 . 1 1 1 1 MET HG3 H 1 2.738 0.005 . 1 . . . . . . . . . 6089 1 6 . 1 1 1 1 MET HE1 H 1 1.277 0.005 . 1 . . . . . . . . . 6089 1 7 . 1 1 1 1 MET HE2 H 1 1.277 0.005 . 1 . . . . . . . . . 6089 1 8 . 1 1 1 1 MET HE3 H 1 1.277 0.005 . 1 . . . . . . . . . 6089 1 9 . 1 1 2 2 THR H H 1 8.972 0.005 . 1 . . . . . . . . . 6089 1 10 . 1 1 2 2 THR HA H 1 4.771 0.005 . 1 . . . . . . . . . 6089 1 11 . 1 1 2 2 THR HB H 1 4.878 0.005 . 1 . . . . . . . . . 6089 1 12 . 1 1 2 2 THR HG21 H 1 1.494 0.005 . 1 . . . . . . . . . 6089 1 13 . 1 1 2 2 THR HG22 H 1 1.494 0.005 . 1 . . . . . . . . . 6089 1 14 . 1 1 2 2 THR HG23 H 1 1.494 0.005 . 1 . . . . . . . . . 6089 1 15 . 1 1 3 3 CYS H H 1 9.702 0.005 . 1 . . . . . . . . . 6089 1 16 . 1 1 3 3 CYS HA H 1 4.788 0.005 . 1 . . . . . . . . . 6089 1 17 . 1 1 3 3 CYS HB2 H 1 3.153 0.005 . 1 . . . . . . . . . 6089 1 18 . 1 1 3 3 CYS HB3 H 1 3.594 0.005 . 1 . . . . . . . . . 6089 1 19 . 1 1 4 4 GLY H H 1 9.044 0.005 . 1 . . . . . . . . . 6089 1 20 . 1 1 4 4 GLY HA2 H 1 4.116 0.005 . 1 . . . . . . . . . 6089 1 21 . 1 1 4 4 GLY HA3 H 1 4.042 0.005 . 1 . . . . . . . . . 6089 1 22 . 1 1 5 5 GLN H H 1 8.027 0.005 . 1 . . . . . . . . . 6089 1 23 . 1 1 5 5 GLN HA H 1 4.401 0.005 . 1 . . . . . . . . . 6089 1 24 . 1 1 5 5 GLN HB2 H 1 2.17 0.005 . 1 . . . . . . . . . 6089 1 25 . 1 1 5 5 GLN HB3 H 1 2.17 0.005 . 1 . . . . . . . . . 6089 1 26 . 1 1 5 5 GLN HG2 H 1 2.619 0.005 . 1 . . . . . . . . . 6089 1 27 . 1 1 5 5 GLN HG3 H 1 2.619 0.005 . 1 . . . . . . . . . 6089 1 28 . 1 1 5 5 GLN HE21 H 1 7.778 0.005 . 1 . . . . . . . . . 6089 1 29 . 1 1 5 5 GLN HE22 H 1 7.082 0.005 . 1 . . . . . . . . . 6089 1 30 . 1 1 6 6 VAL H H 1 8.518 0.005 . 1 . . . . . . . . . 6089 1 31 . 1 1 6 6 VAL HA H 1 3.765 0.005 . 1 . . . . . . . . . 6089 1 32 . 1 1 6 6 VAL HB H 1 2.639 0.005 . 1 . . . . . . . . . 6089 1 33 . 1 1 6 6 VAL HG11 H 1 1.278 0.005 . 1 . . . . . . . . . 6089 1 34 . 1 1 6 6 VAL HG12 H 1 1.278 0.005 . 1 . . . . . . . . . 6089 1 35 . 1 1 6 6 VAL HG13 H 1 1.278 0.005 . 1 . . . . . . . . . 6089 1 36 . 1 1 6 6 VAL HG21 H 1 0.994 0.005 . 1 . . . . . . . . . 6089 1 37 . 1 1 6 6 VAL HG22 H 1 0.994 0.005 . 1 . . . . . . . . . 6089 1 38 . 1 1 6 6 VAL HG23 H 1 0.994 0.005 . 1 . . . . . . . . . 6089 1 39 . 1 1 7 7 GLN H H 1 8.689 0.005 . 1 . . . . . . . . . 6089 1 40 . 1 1 7 7 GLN HA H 1 3.897 0.005 . 1 . . . . . . . . . 6089 1 41 . 1 1 7 7 GLN HB2 H 1 2.342 0.005 . 1 . . . . . . . . . 6089 1 42 . 1 1 7 7 GLN HB3 H 1 2.469 0.005 . 1 . . . . . . . . . 6089 1 43 . 1 1 7 7 GLN HG2 H 1 2.652 0.005 . 1 . . . . . . . . . 6089 1 44 . 1 1 7 7 GLN HG3 H 1 2.652 0.005 . 1 . . . . . . . . . 6089 1 45 . 1 1 8 8 GLY H H 1 8.439 0.005 . 1 . . . . . . . . . 6089 1 46 . 1 1 8 8 GLY HA2 H 1 4.181 0.005 . 1 . . . . . . . . . 6089 1 47 . 1 1 8 8 GLY HA3 H 1 4.111 0.005 . 1 . . . . . . . . . 6089 1 48 . 1 1 9 9 ASN H H 1 7.904 0.005 . 1 . . . . . . . . . 6089 1 49 . 1 1 9 9 ASN HA H 1 4.833 0.005 . 1 . . . . . . . . . 6089 1 50 . 1 1 9 9 ASN HB2 H 1 2.947 0.005 . 1 . . . . . . . . . 6089 1 51 . 1 1 9 9 ASN HB3 H 1 2.913 0.005 . 1 . . . . . . . . . 6089 1 52 . 1 1 9 9 ASN HD21 H 1 7.59 0.005 . 1 . . . . . . . . . 6089 1 53 . 1 1 9 9 ASN HD22 H 1 7.048 0.005 . 1 . . . . . . . . . 6089 1 54 . 1 1 10 10 LEU H H 1 7.957 0.005 . 1 . . . . . . . . . 6089 1 55 . 1 1 10 10 LEU HA H 1 4.533 0.005 . 1 . . . . . . . . . 6089 1 56 . 1 1 10 10 LEU HB2 H 1 1.773 0.005 . 1 . . . . . . . . . 6089 1 57 . 1 1 10 10 LEU HB3 H 1 1.773 0.005 . 1 . . . . . . . . . 6089 1 58 . 1 1 10 10 LEU HG H 1 1.954 0.005 . 1 . . . . . . . . . 6089 1 59 . 1 1 10 10 LEU HD11 H 1 0.823 0.005 . 1 . . . . . . . . . 6089 1 60 . 1 1 10 10 LEU HD12 H 1 0.823 0.005 . 1 . . . . . . . . . 6089 1 61 . 1 1 10 10 LEU HD13 H 1 0.823 0.005 . 1 . . . . . . . . . 6089 1 62 . 1 1 10 10 LEU HD21 H 1 0.823 0.005 . 1 . . . . . . . . . 6089 1 63 . 1 1 10 10 LEU HD22 H 1 0.823 0.005 . 1 . . . . . . . . . 6089 1 64 . 1 1 10 10 LEU HD23 H 1 0.823 0.005 . 1 . . . . . . . . . 6089 1 65 . 1 1 11 11 ALA H H 1 7.673 0.005 . 1 . . . . . . . . . 6089 1 66 . 1 1 11 11 ALA HA H 1 4.312 0.005 . 1 . . . . . . . . . 6089 1 67 . 1 1 11 11 ALA HB1 H 1 1.785 0.005 . 1 . . . . . . . . . 6089 1 68 . 1 1 11 11 ALA HB2 H 1 1.785 0.005 . 1 . . . . . . . . . 6089 1 69 . 1 1 11 11 ALA HB3 H 1 1.785 0.005 . 1 . . . . . . . . . 6089 1 70 . 1 1 12 12 GLN H H 1 8.798 0.005 . 1 . . . . . . . . . 6089 1 71 . 1 1 12 12 GLN HA H 1 4.631 0.005 . 1 . . . . . . . . . 6089 1 72 . 1 1 12 12 GLN HB2 H 1 2.005 0.005 . 1 . . . . . . . . . 6089 1 73 . 1 1 12 12 GLN HB3 H 1 2.005 0.005 . 1 . . . . . . . . . 6089 1 74 . 1 1 12 12 GLN HG2 H 1 2.636 0.005 . 1 . . . . . . . . . 6089 1 75 . 1 1 12 12 GLN HG3 H 1 2.567 0.005 . 1 . . . . . . . . . 6089 1 76 . 1 1 13 13 CYS H H 1 8.835 0.005 . 1 . . . . . . . . . 6089 1 77 . 1 1 13 13 CYS HA H 1 4.958 0.005 . 1 . . . . . . . . . 6089 1 78 . 1 1 13 13 CYS HB2 H 1 3.375 0.005 . 1 . . . . . . . . . 6089 1 79 . 1 1 13 13 CYS HB3 H 1 3.337 0.005 . 1 . . . . . . . . . 6089 1 80 . 1 1 14 14 ILE H H 1 7.475 0.005 . 1 . . . . . . . . . 6089 1 81 . 1 1 14 14 ILE HA H 1 3.714 0.005 . 1 . . . . . . . . . 6089 1 82 . 1 1 14 14 ILE HB H 1 2.18 0.005 . 1 . . . . . . . . . 6089 1 83 . 1 1 14 14 ILE HG12 H 1 1.853 0.005 . 1 . . . . . . . . . 6089 1 84 . 1 1 14 14 ILE HG13 H 1 1.667 0.005 . 1 . . . . . . . . . 6089 1 85 . 1 1 14 14 ILE HG21 H 1 1.076 0.005 . 1 . . . . . . . . . 6089 1 86 . 1 1 14 14 ILE HG22 H 1 1.076 0.005 . 1 . . . . . . . . . 6089 1 87 . 1 1 14 14 ILE HG23 H 1 1.076 0.005 . 1 . . . . . . . . . 6089 1 88 . 1 1 14 14 ILE HD11 H 1 1.018 0.005 . 1 . . . . . . . . . 6089 1 89 . 1 1 14 14 ILE HD12 H 1 1.018 0.005 . 1 . . . . . . . . . 6089 1 90 . 1 1 14 14 ILE HD13 H 1 1.018 0.005 . 1 . . . . . . . . . 6089 1 91 . 1 1 15 15 GLY H H 1 8.696 0.005 . 1 . . . . . . . . . 6089 1 92 . 1 1 15 15 GLY HA2 H 1 4.098 0.005 . 1 . . . . . . . . . 6089 1 93 . 1 1 15 15 GLY HA3 H 1 4.123 0.005 . 1 . . . . . . . . . 6089 1 94 . 1 1 16 16 PHE H H 1 8.907 0.005 . 1 . . . . . . . . . 6089 1 95 . 1 1 16 16 PHE HA H 1 4.538 0.005 . 1 . . . . . . . . . 6089 1 96 . 1 1 16 16 PHE HB2 H 1 3.539 0.005 . 1 . . . . . . . . . 6089 1 97 . 1 1 16 16 PHE HB3 H 1 3.165 0.005 . 1 . . . . . . . . . 6089 1 98 . 1 1 16 16 PHE HD1 H 1 7.015 0.005 . 3 . . . . . . . . . 6089 1 99 . 1 1 16 16 PHE HE1 H 1 7.529 0.005 . 3 . . . . . . . . . 6089 1 100 . 1 1 16 16 PHE HZ H 1 7.327 0.005 . 1 . . . . . . . . . 6089 1 101 . 1 1 17 17 LEU H H 1 8.799 0.005 . 1 . . . . . . . . . 6089 1 102 . 1 1 17 17 LEU HA H 1 3.854 0.005 . 1 . . . . . . . . . 6089 1 103 . 1 1 17 17 LEU HB2 H 1 2.392 0.005 . 1 . . . . . . . . . 6089 1 104 . 1 1 17 17 LEU HB3 H 1 2.25 0.005 . 1 . . . . . . . . . 6089 1 105 . 1 1 17 17 LEU HG H 1 1.563 0.005 . 1 . . . . . . . . . 6089 1 106 . 1 1 17 17 LEU HD11 H 1 1.083 0.005 . 1 . . . . . . . . . 6089 1 107 . 1 1 17 17 LEU HD12 H 1 1.083 0.005 . 1 . . . . . . . . . 6089 1 108 . 1 1 17 17 LEU HD13 H 1 1.083 0.005 . 1 . . . . . . . . . 6089 1 109 . 1 1 17 17 LEU HD21 H 1 0.989 0.005 . 1 . . . . . . . . . 6089 1 110 . 1 1 17 17 LEU HD22 H 1 0.989 0.005 . 1 . . . . . . . . . 6089 1 111 . 1 1 17 17 LEU HD23 H 1 0.989 0.005 . 1 . . . . . . . . . 6089 1 112 . 1 1 18 18 GLN H H 1 8.379 0.005 . 1 . . . . . . . . . 6089 1 113 . 1 1 18 18 GLN HA H 1 4.686 0.005 . 1 . . . . . . . . . 6089 1 114 . 1 1 18 18 GLN HB2 H 1 2.572 0.005 . 1 . . . . . . . . . 6089 1 115 . 1 1 18 18 GLN HB3 H 1 2.572 0.005 . 1 . . . . . . . . . 6089 1 116 . 1 1 18 18 GLN HG2 H 1 2.694 0.005 . 1 . . . . . . . . . 6089 1 117 . 1 1 18 18 GLN HG3 H 1 2.318 0.005 . 1 . . . . . . . . . 6089 1 118 . 1 1 19 19 LYS H H 1 8.711 0.005 . 1 . . . . . . . . . 6089 1 119 . 1 1 19 19 LYS HA H 1 4.683 0.005 . 1 . . . . . . . . . 6089 1 120 . 1 1 19 19 LYS HB2 H 1 2.09 0.005 . 1 . . . . . . . . . 6089 1 121 . 1 1 19 19 LYS HB3 H 1 2.09 0.005 . 1 . . . . . . . . . 6089 1 122 . 1 1 19 19 LYS HG2 H 1 2.021 0.005 . 1 . . . . . . . . . 6089 1 123 . 1 1 19 19 LYS HG3 H 1 2.021 0.005 . 1 . . . . . . . . . 6089 1 124 . 1 1 19 19 LYS HD2 H 1 1.646 0.005 . 1 . . . . . . . . . 6089 1 125 . 1 1 19 19 LYS HD3 H 1 1.646 0.005 . 1 . . . . . . . . . 6089 1 126 . 1 1 19 19 LYS HE2 H 1 3.19 0.005 . 1 . . . . . . . . . 6089 1 127 . 1 1 19 19 LYS HE3 H 1 3.19 0.005 . 1 . . . . . . . . . 6089 1 128 . 1 1 19 19 LYS HZ1 H 1 7.351 0.005 . 1 . . . . . . . . . 6089 1 129 . 1 1 19 19 LYS HZ2 H 1 7.351 0.005 . 1 . . . . . . . . . 6089 1 130 . 1 1 19 19 LYS HZ3 H 1 7.351 0.005 . 1 . . . . . . . . . 6089 1 131 . 1 1 20 20 GLY H H 1 8.947 0.005 . 1 . . . . . . . . . 6089 1 132 . 1 1 20 20 GLY HA2 H 1 4.094 0.005 . 1 . . . . . . . . . 6089 1 133 . 1 1 20 20 GLY HA3 H 1 3.167 0.005 . 1 . . . . . . . . . 6089 1 134 . 1 1 21 21 GLY H H 1 8.767 0.005 . 1 . . . . . . . . . 6089 1 135 . 1 1 21 21 GLY HA2 H 1 4.563 0.005 . 1 . . . . . . . . . 6089 1 136 . 1 1 21 21 GLY HA3 H 1 3.909 0.005 . 1 . . . . . . . . . 6089 1 137 . 1 1 22 22 VAL H H 1 8.581 0.005 . 1 . . . . . . . . . 6089 1 138 . 1 1 22 22 VAL HA H 1 4.144 0.005 . 1 . . . . . . . . . 6089 1 139 . 1 1 22 22 VAL HB H 1 2.16 0.005 . 1 . . . . . . . . . 6089 1 140 . 1 1 22 22 VAL HG11 H 1 1.171 0.005 . 1 . . . . . . . . . 6089 1 141 . 1 1 22 22 VAL HG12 H 1 1.171 0.005 . 1 . . . . . . . . . 6089 1 142 . 1 1 22 22 VAL HG13 H 1 1.171 0.005 . 1 . . . . . . . . . 6089 1 143 . 1 1 22 22 VAL HG21 H 1 1.057 0.005 . 1 . . . . . . . . . 6089 1 144 . 1 1 22 22 VAL HG22 H 1 1.057 0.005 . 1 . . . . . . . . . 6089 1 145 . 1 1 22 22 VAL HG23 H 1 1.057 0.005 . 1 . . . . . . . . . 6089 1 146 . 1 1 23 23 VAL H H 1 8.7 0.005 . 1 . . . . . . . . . 6089 1 147 . 1 1 23 23 VAL HA H 1 4.11 0.005 . 1 . . . . . . . . . 6089 1 148 . 1 1 23 23 VAL HB H 1 1.674 0.005 . 1 . . . . . . . . . 6089 1 149 . 1 1 23 23 VAL HG11 H 1 0.711 0.005 . 1 . . . . . . . . . 6089 1 150 . 1 1 23 23 VAL HG12 H 1 0.711 0.005 . 1 . . . . . . . . . 6089 1 151 . 1 1 23 23 VAL HG13 H 1 0.711 0.005 . 1 . . . . . . . . . 6089 1 152 . 1 1 23 23 VAL HG21 H 1 0.089 0.005 . 1 . . . . . . . . . 6089 1 153 . 1 1 23 23 VAL HG22 H 1 0.089 0.005 . 1 . . . . . . . . . 6089 1 154 . 1 1 23 23 VAL HG23 H 1 0.089 0.005 . 1 . . . . . . . . . 6089 1 155 . 1 1 24 24 PRO HA H 1 4.983 0.005 . 1 . . . . . . . . . 6089 1 156 . 1 1 24 24 PRO HB2 H 1 2.73 0.005 . 1 . . . . . . . . . 6089 1 157 . 1 1 24 24 PRO HB3 H 1 2.09 0.005 . 1 . . . . . . . . . 6089 1 158 . 1 1 24 24 PRO HG2 H 1 2.402 0.005 . 1 . . . . . . . . . 6089 1 159 . 1 1 24 24 PRO HG3 H 1 2.508 0.005 . 1 . . . . . . . . . 6089 1 160 . 1 1 24 24 PRO HD2 H 1 3.716 0.005 . 1 . . . . . . . . . 6089 1 161 . 1 1 24 24 PRO HD3 H 1 4.548 0.005 . 1 . . . . . . . . . 6089 1 162 . 1 1 25 25 PRO HA H 1 4.437 0.005 . 1 . . . . . . . . . 6089 1 163 . 1 1 25 25 PRO HB2 H 1 2.257 0.005 . 1 . . . . . . . . . 6089 1 164 . 1 1 25 25 PRO HB3 H 1 2.453 0.005 . 1 . . . . . . . . . 6089 1 165 . 1 1 25 25 PRO HG2 H 1 2.399 0.005 . 1 . . . . . . . . . 6089 1 166 . 1 1 25 25 PRO HG3 H 1 2.259 0.005 . 1 . . . . . . . . . 6089 1 167 . 1 1 25 25 PRO HD2 H 1 4.085 0.005 . 1 . . . . . . . . . 6089 1 168 . 1 1 25 25 PRO HD3 H 1 4.157 0.005 . 1 . . . . . . . . . 6089 1 169 . 1 1 26 26 SER H H 1 8.654 0.005 . 1 . . . . . . . . . 6089 1 170 . 1 1 26 26 SER HA H 1 4.426 0.005 . 1 . . . . . . . . . 6089 1 171 . 1 1 26 26 SER HB2 H 1 4.031 0.005 . 1 . . . . . . . . . 6089 1 172 . 1 1 26 26 SER HB3 H 1 4.105 0.005 . 1 . . . . . . . . . 6089 1 173 . 1 1 27 27 CYS H H 1 7.907 0.005 . 1 . . . . . . . . . 6089 1 174 . 1 1 27 27 CYS HA H 1 4.833 0.005 . 1 . . . . . . . . . 6089 1 175 . 1 1 27 27 CYS HB2 H 1 3.534 0.005 . 1 . . . . . . . . . 6089 1 176 . 1 1 27 27 CYS HB3 H 1 3.115 0.005 . 1 . . . . . . . . . 6089 1 177 . 1 1 28 28 CYS H H 1 7.224 0.005 . 1 . . . . . . . . . 6089 1 178 . 1 1 28 28 CYS HA H 1 4.83 0.005 . 1 . . . . . . . . . 6089 1 179 . 1 1 28 28 CYS HB2 H 1 3.26 0.005 . 1 . . . . . . . . . 6089 1 180 . 1 1 28 28 CYS HB3 H 1 3.101 0.005 . 1 . . . . . . . . . 6089 1 181 . 1 1 29 29 THR H H 1 8.847 0.005 . 1 . . . . . . . . . 6089 1 182 . 1 1 29 29 THR HA H 1 4.037 0.005 . 1 . . . . . . . . . 6089 1 183 . 1 1 29 29 THR HB H 1 4.34 0.005 . 1 . . . . . . . . . 6089 1 184 . 1 1 29 29 THR HG21 H 1 1.423 0.005 . 1 . . . . . . . . . 6089 1 185 . 1 1 29 29 THR HG22 H 1 1.423 0.005 . 1 . . . . . . . . . 6089 1 186 . 1 1 29 29 THR HG23 H 1 1.423 0.005 . 1 . . . . . . . . . 6089 1 187 . 1 1 30 30 GLY H H 1 7.78 0.005 . 1 . . . . . . . . . 6089 1 188 . 1 1 30 30 GLY HA2 H 1 4.65 0.005 . 1 . . . . . . . . . 6089 1 189 . 1 1 30 30 GLY HA3 H 1 4.222 0.005 . 1 . . . . . . . . . 6089 1 190 . 1 1 31 31 VAL H H 1 8.695 0.005 . 1 . . . . . . . . . 6089 1 191 . 1 1 31 31 VAL HA H 1 3.647 0.005 . 1 . . . . . . . . . 6089 1 192 . 1 1 31 31 VAL HB H 1 2.391 0.005 . 1 . . . . . . . . . 6089 1 193 . 1 1 31 31 VAL HG11 H 1 1.194 0.005 . 1 . . . . . . . . . 6089 1 194 . 1 1 31 31 VAL HG12 H 1 1.194 0.005 . 1 . . . . . . . . . 6089 1 195 . 1 1 31 31 VAL HG13 H 1 1.194 0.005 . 1 . . . . . . . . . 6089 1 196 . 1 1 31 31 VAL HG21 H 1 0.939 0.005 . 1 . . . . . . . . . 6089 1 197 . 1 1 31 31 VAL HG22 H 1 0.939 0.005 . 1 . . . . . . . . . 6089 1 198 . 1 1 31 31 VAL HG23 H 1 0.939 0.005 . 1 . . . . . . . . . 6089 1 199 . 1 1 32 32 LYS H H 1 8.553 0.005 . 1 . . . . . . . . . 6089 1 200 . 1 1 32 32 LYS HA H 1 3.988 0.005 . 1 . . . . . . . . . 6089 1 201 . 1 1 32 32 LYS HB2 H 1 2.062 0.005 . 1 . . . . . . . . . 6089 1 202 . 1 1 32 32 LYS HB3 H 1 2.062 0.005 . 1 . . . . . . . . . 6089 1 203 . 1 1 32 32 LYS HG2 H 1 1.716 0.005 . 1 . . . . . . . . . 6089 1 204 . 1 1 32 32 LYS HG3 H 1 1.716 0.005 . 1 . . . . . . . . . 6089 1 205 . 1 1 32 32 LYS HD2 H 1 1.533 0.005 . 1 . . . . . . . . . 6089 1 206 . 1 1 32 32 LYS HD3 H 1 1.533 0.005 . 1 . . . . . . . . . 6089 1 207 . 1 1 32 32 LYS HE2 H 1 3.044 0.005 . 1 . . . . . . . . . 6089 1 208 . 1 1 32 32 LYS HE3 H 1 3.044 0.005 . 1 . . . . . . . . . 6089 1 209 . 1 1 33 33 ASN H H 1 8.481 0.005 . 1 . . . . . . . . . 6089 1 210 . 1 1 33 33 ASN HA H 1 4.616 0.005 . 1 . . . . . . . . . 6089 1 211 . 1 1 33 33 ASN HB2 H 1 3.28 0.005 . 1 . . . . . . . . . 6089 1 212 . 1 1 33 33 ASN HB3 H 1 2.919 0.005 . 1 . . . . . . . . . 6089 1 213 . 1 1 34 34 ILE H H 1 8.19 0.005 . 1 . . . . . . . . . 6089 1 214 . 1 1 34 34 ILE HA H 1 3.888 0.005 . 1 . . . . . . . . . 6089 1 215 . 1 1 34 34 ILE HB H 1 2.266 0.005 . 1 . . . . . . . . . 6089 1 216 . 1 1 34 34 ILE HG12 H 1 2.086 0.005 . 1 . . . . . . . . . 6089 1 217 . 1 1 34 34 ILE HG13 H 1 2.086 0.005 . 1 . . . . . . . . . 6089 1 218 . 1 1 34 34 ILE HG21 H 1 1.082 0.005 . 1 . . . . . . . . . 6089 1 219 . 1 1 34 34 ILE HG22 H 1 1.082 0.005 . 1 . . . . . . . . . 6089 1 220 . 1 1 34 34 ILE HG23 H 1 1.082 0.005 . 1 . . . . . . . . . 6089 1 221 . 1 1 34 34 ILE HD11 H 1 1.272 0.005 . 1 . . . . . . . . . 6089 1 222 . 1 1 34 34 ILE HD12 H 1 1.272 0.005 . 1 . . . . . . . . . 6089 1 223 . 1 1 34 34 ILE HD13 H 1 1.272 0.005 . 1 . . . . . . . . . 6089 1 224 . 1 1 35 35 LEU H H 1 8.451 0.005 . 1 . . . . . . . . . 6089 1 225 . 1 1 35 35 LEU HA H 1 4.38 0.005 . 1 . . . . . . . . . 6089 1 226 . 1 1 35 35 LEU HB2 H 1 2.015 0.005 . 1 . . . . . . . . . 6089 1 227 . 1 1 35 35 LEU HB3 H 1 1.939 0.005 . 1 . . . . . . . . . 6089 1 228 . 1 1 35 35 LEU HG H 1 1.805 0.005 . 1 . . . . . . . . . 6089 1 229 . 1 1 35 35 LEU HD11 H 1 0.988 0.005 . 1 . . . . . . . . . 6089 1 230 . 1 1 35 35 LEU HD12 H 1 0.988 0.005 . 1 . . . . . . . . . 6089 1 231 . 1 1 35 35 LEU HD13 H 1 0.988 0.005 . 1 . . . . . . . . . 6089 1 232 . 1 1 35 35 LEU HD21 H 1 1.063 0.005 . 1 . . . . . . . . . 6089 1 233 . 1 1 35 35 LEU HD22 H 1 1.063 0.005 . 1 . . . . . . . . . 6089 1 234 . 1 1 35 35 LEU HD23 H 1 1.063 0.005 . 1 . . . . . . . . . 6089 1 235 . 1 1 36 36 ASN H H 1 8.839 0.005 . 1 . . . . . . . . . 6089 1 236 . 1 1 36 36 ASN HA H 1 4.914 0.005 . 1 . . . . . . . . . 6089 1 237 . 1 1 36 36 ASN HB2 H 1 3.131 0.005 . 1 . . . . . . . . . 6089 1 238 . 1 1 36 36 ASN HB3 H 1 3.131 0.005 . 1 . . . . . . . . . 6089 1 239 . 1 1 37 37 SER H H 1 7.715 0.005 . 1 . . . . . . . . . 6089 1 240 . 1 1 37 37 SER HA H 1 4.637 0.005 . 1 . . . . . . . . . 6089 1 241 . 1 1 37 37 SER HB2 H 1 4.33 0.005 . 1 . . . . . . . . . 6089 1 242 . 1 1 37 37 SER HB3 H 1 4.224 0.005 . 1 . . . . . . . . . 6089 1 243 . 1 1 38 38 SER H H 1 7.594 0.005 . 1 . . . . . . . . . 6089 1 244 . 1 1 38 38 SER HA H 1 4.795 0.005 . 1 . . . . . . . . . 6089 1 245 . 1 1 38 38 SER HB2 H 1 4.188 0.005 . 1 . . . . . . . . . 6089 1 246 . 1 1 38 38 SER HB3 H 1 4.006 0.005 . 1 . . . . . . . . . 6089 1 247 . 1 1 39 39 ARG H H 1 9.121 0.005 . 1 . . . . . . . . . 6089 1 248 . 1 1 39 39 ARG HA H 1 4.719 0.005 . 1 . . . . . . . . . 6089 1 249 . 1 1 39 39 ARG HB2 H 1 2.065 0.005 . 1 . . . . . . . . . 6089 1 250 . 1 1 39 39 ARG HB3 H 1 2.258 0.005 . 1 . . . . . . . . . 6089 1 251 . 1 1 39 39 ARG HG2 H 1 1.929 0.005 . 1 . . . . . . . . . 6089 1 252 . 1 1 39 39 ARG HG3 H 1 1.854 0.005 . 1 . . . . . . . . . 6089 1 253 . 1 1 39 39 ARG HD2 H 1 3.448 0.005 . 1 . . . . . . . . . 6089 1 254 . 1 1 39 39 ARG HD3 H 1 3.448 0.005 . 1 . . . . . . . . . 6089 1 255 . 1 1 39 39 ARG HE H 1 7.4 0.005 . 1 . . . . . . . . . 6089 1 256 . 1 1 40 40 THR H H 1 7.806 0.005 . 1 . . . . . . . . . 6089 1 257 . 1 1 40 40 THR HA H 1 5.025 0.005 . 1 . . . . . . . . . 6089 1 258 . 1 1 40 40 THR HB H 1 4.873 0.005 . 1 . . . . . . . . . 6089 1 259 . 1 1 40 40 THR HG21 H 1 1.443 0.005 . 1 . . . . . . . . . 6089 1 260 . 1 1 40 40 THR HG22 H 1 1.443 0.005 . 1 . . . . . . . . . 6089 1 261 . 1 1 40 40 THR HG23 H 1 1.443 0.005 . 1 . . . . . . . . . 6089 1 262 . 1 1 41 41 THR H H 1 9.179 0.005 . 1 . . . . . . . . . 6089 1 263 . 1 1 41 41 THR HA H 1 3.998 0.005 . 1 . . . . . . . . . 6089 1 264 . 1 1 41 41 THR HB H 1 4.225 0.005 . 1 . . . . . . . . . 6089 1 265 . 1 1 41 41 THR HG21 H 1 1.426 0.005 . 1 . . . . . . . . . 6089 1 266 . 1 1 41 41 THR HG22 H 1 1.426 0.005 . 1 . . . . . . . . . 6089 1 267 . 1 1 41 41 THR HG23 H 1 1.426 0.005 . 1 . . . . . . . . . 6089 1 268 . 1 1 42 42 ALA H H 1 8.746 0.005 . 1 . . . . . . . . . 6089 1 269 . 1 1 42 42 ALA HA H 1 4.192 0.005 . 1 . . . . . . . . . 6089 1 270 . 1 1 42 42 ALA HB1 H 1 1.61 0.005 . 1 . . . . . . . . . 6089 1 271 . 1 1 42 42 ALA HB2 H 1 1.61 0.005 . 1 . . . . . . . . . 6089 1 272 . 1 1 42 42 ALA HB3 H 1 1.61 0.005 . 1 . . . . . . . . . 6089 1 273 . 1 1 43 43 ASP H H 1 8.205 0.005 . 1 . . . . . . . . . 6089 1 274 . 1 1 43 43 ASP HA H 1 4.686 0.005 . 1 . . . . . . . . . 6089 1 275 . 1 1 43 43 ASP HB2 H 1 3.266 0.005 . 1 . . . . . . . . . 6089 1 276 . 1 1 43 43 ASP HB3 H 1 3.215 0.005 . 1 . . . . . . . . . 6089 1 277 . 1 1 44 44 ARG H H 1 8.596 0.005 . 1 . . . . . . . . . 6089 1 278 . 1 1 44 44 ARG HA H 1 4.238 0.005 . 1 . . . . . . . . . 6089 1 279 . 1 1 44 44 ARG HB2 H 1 2.318 0.005 . 1 . . . . . . . . . 6089 1 280 . 1 1 44 44 ARG HB3 H 1 2 0.005 . 1 . . . . . . . . . 6089 1 281 . 1 1 44 44 ARG HG2 H 1 1.886 0.005 . 1 . . . . . . . . . 6089 1 282 . 1 1 44 44 ARG HG3 H 1 1.886 0.005 . 1 . . . . . . . . . 6089 1 283 . 1 1 44 44 ARG HD2 H 1 3.561 0.005 . 1 . . . . . . . . . 6089 1 284 . 1 1 44 44 ARG HD3 H 1 3.561 0.005 . 1 . . . . . . . . . 6089 1 285 . 1 1 45 45 ARG H H 1 8.714 0.005 . 1 . . . . . . . . . 6089 1 286 . 1 1 45 45 ARG HA H 1 4.05 0.005 . 1 . . . . . . . . . 6089 1 287 . 1 1 45 45 ARG HB2 H 1 2.054 0.005 . 1 . . . . . . . . . 6089 1 288 . 1 1 45 45 ARG HB3 H 1 2.054 0.005 . 1 . . . . . . . . . 6089 1 289 . 1 1 45 45 ARG HG2 H 1 2.022 0.005 . 1 . . . . . . . . . 6089 1 290 . 1 1 45 45 ARG HG3 H 1 2.022 0.005 . 1 . . . . . . . . . 6089 1 291 . 1 1 45 45 ARG HD2 H 1 3.363 0.005 . 1 . . . . . . . . . 6089 1 292 . 1 1 45 45 ARG HD3 H 1 3.363 0.005 . 1 . . . . . . . . . 6089 1 293 . 1 1 45 45 ARG HE H 1 7.354 0.005 . 1 . . . . . . . . . 6089 1 294 . 1 1 46 46 ALA H H 1 8.148 0.005 . 1 . . . . . . . . . 6089 1 295 . 1 1 46 46 ALA HA H 1 4.391 0.005 . 1 . . . . . . . . . 6089 1 296 . 1 1 46 46 ALA HB1 H 1 1.794 0.005 . 1 . . . . . . . . . 6089 1 297 . 1 1 46 46 ALA HB2 H 1 1.794 0.005 . 1 . . . . . . . . . 6089 1 298 . 1 1 46 46 ALA HB3 H 1 1.794 0.005 . 1 . . . . . . . . . 6089 1 299 . 1 1 47 47 VAL H H 1 8.717 0.005 . 1 . . . . . . . . . 6089 1 300 . 1 1 47 47 VAL HA H 1 3.578 0.005 . 1 . . . . . . . . . 6089 1 301 . 1 1 47 47 VAL HB H 1 2.259 0.005 . 1 . . . . . . . . . 6089 1 302 . 1 1 47 47 VAL HG11 H 1 1.206 0.005 . 1 . . . . . . . . . 6089 1 303 . 1 1 47 47 VAL HG12 H 1 1.206 0.005 . 1 . . . . . . . . . 6089 1 304 . 1 1 47 47 VAL HG13 H 1 1.206 0.005 . 1 . . . . . . . . . 6089 1 305 . 1 1 47 47 VAL HG21 H 1 1.036 0.005 . 1 . . . . . . . . . 6089 1 306 . 1 1 47 47 VAL HG22 H 1 1.036 0.005 . 1 . . . . . . . . . 6089 1 307 . 1 1 47 47 VAL HG23 H 1 1.036 0.005 . 1 . . . . . . . . . 6089 1 308 . 1 1 48 48 CYS H H 1 8.035 0.005 . 1 . . . . . . . . . 6089 1 309 . 1 1 48 48 CYS HA H 1 4.268 0.005 . 1 . . . . . . . . . 6089 1 310 . 1 1 48 48 CYS HB2 H 1 3.531 0.005 . 1 . . . . . . . . . 6089 1 311 . 1 1 48 48 CYS HB3 H 1 2.449 0.005 . 1 . . . . . . . . . 6089 1 312 . 1 1 49 49 SER H H 1 8.499 0.005 . 1 . . . . . . . . . 6089 1 313 . 1 1 49 49 SER HA H 1 4.241 0.005 . 1 . . . . . . . . . 6089 1 314 . 1 1 49 49 SER HB2 H 1 4.148 0.005 . 1 . . . . . . . . . 6089 1 315 . 1 1 49 49 SER HB3 H 1 4.148 0.005 . 1 . . . . . . . . . 6089 1 316 . 1 1 50 50 CYS H H 1 8.567 0.005 . 1 . . . . . . . . . 6089 1 317 . 1 1 50 50 CYS HA H 1 4.783 0.005 . 1 . . . . . . . . . 6089 1 318 . 1 1 50 50 CYS HB2 H 1 3.289 0.005 . 1 . . . . . . . . . 6089 1 319 . 1 1 50 50 CYS HB3 H 1 3.119 0.005 . 1 . . . . . . . . . 6089 1 320 . 1 1 51 51 LEU H H 1 9.078 0.005 . 1 . . . . . . . . . 6089 1 321 . 1 1 51 51 LEU HA H 1 4.186 0.005 . 1 . . . . . . . . . 6089 1 322 . 1 1 51 51 LEU HB2 H 1 2.403 0.005 . 1 . . . . . . . . . 6089 1 323 . 1 1 51 51 LEU HB3 H 1 2.403 0.005 . 1 . . . . . . . . . 6089 1 324 . 1 1 51 51 LEU HG H 1 1.949 0.005 . 1 . . . . . . . . . 6089 1 325 . 1 1 51 51 LEU HD11 H 1 1.617 0.005 . 1 . . . . . . . . . 6089 1 326 . 1 1 51 51 LEU HD12 H 1 1.617 0.005 . 1 . . . . . . . . . 6089 1 327 . 1 1 51 51 LEU HD13 H 1 1.617 0.005 . 1 . . . . . . . . . 6089 1 328 . 1 1 51 51 LEU HD21 H 1 0.956 0.005 . 1 . . . . . . . . . 6089 1 329 . 1 1 51 51 LEU HD22 H 1 0.956 0.005 . 1 . . . . . . . . . 6089 1 330 . 1 1 51 51 LEU HD23 H 1 0.956 0.005 . 1 . . . . . . . . . 6089 1 331 . 1 1 52 52 LYS H H 1 8.73 0.005 . 1 . . . . . . . . . 6089 1 332 . 1 1 52 52 LYS HA H 1 4.09 0.005 . 1 . . . . . . . . . 6089 1 333 . 1 1 52 52 LYS HB2 H 1 2.138 0.005 . 1 . . . . . . . . . 6089 1 334 . 1 1 52 52 LYS HB3 H 1 2.138 0.005 . 1 . . . . . . . . . 6089 1 335 . 1 1 52 52 LYS HG2 H 1 1.935 0.005 . 1 . . . . . . . . . 6089 1 336 . 1 1 52 52 LYS HG3 H 1 1.935 0.005 . 1 . . . . . . . . . 6089 1 337 . 1 1 52 52 LYS HD2 H 1 1.566 0.005 . 1 . . . . . . . . . 6089 1 338 . 1 1 52 52 LYS HD3 H 1 1.566 0.005 . 1 . . . . . . . . . 6089 1 339 . 1 1 52 52 LYS HE2 H 1 3.269 0.005 . 1 . . . . . . . . . 6089 1 340 . 1 1 52 52 LYS HE3 H 1 3.269 0.005 . 1 . . . . . . . . . 6089 1 341 . 1 1 52 52 LYS HZ1 H 1 7.585 0.005 . 1 . . . . . . . . . 6089 1 342 . 1 1 52 52 LYS HZ2 H 1 7.585 0.005 . 1 . . . . . . . . . 6089 1 343 . 1 1 52 52 LYS HZ3 H 1 7.585 0.005 . 1 . . . . . . . . . 6089 1 344 . 1 1 53 53 ALA H H 1 7.762 0.005 . 1 . . . . . . . . . 6089 1 345 . 1 1 53 53 ALA HA H 1 4.368 0.005 . 1 . . . . . . . . . 6089 1 346 . 1 1 53 53 ALA HB1 H 1 1.726 0.005 . 1 . . . . . . . . . 6089 1 347 . 1 1 53 53 ALA HB2 H 1 1.726 0.005 . 1 . . . . . . . . . 6089 1 348 . 1 1 53 53 ALA HB3 H 1 1.726 0.005 . 1 . . . . . . . . . 6089 1 349 . 1 1 54 54 ALA H H 1 8.396 0.005 . 1 . . . . . . . . . 6089 1 350 . 1 1 54 54 ALA HA H 1 4.278 0.005 . 1 . . . . . . . . . 6089 1 351 . 1 1 54 54 ALA HB1 H 1 1.569 0.005 . 1 . . . . . . . . . 6089 1 352 . 1 1 54 54 ALA HB2 H 1 1.569 0.005 . 1 . . . . . . . . . 6089 1 353 . 1 1 54 54 ALA HB3 H 1 1.569 0.005 . 1 . . . . . . . . . 6089 1 354 . 1 1 55 55 ALA H H 1 8.387 0.005 . 1 . . . . . . . . . 6089 1 355 . 1 1 55 55 ALA HA H 1 4.092 0.005 . 1 . . . . . . . . . 6089 1 356 . 1 1 55 55 ALA HB1 H 1 1.495 0.005 . 1 . . . . . . . . . 6089 1 357 . 1 1 55 55 ALA HB2 H 1 1.495 0.005 . 1 . . . . . . . . . 6089 1 358 . 1 1 55 55 ALA HB3 H 1 1.495 0.005 . 1 . . . . . . . . . 6089 1 359 . 1 1 56 56 GLY H H 1 7.732 0.005 . 1 . . . . . . . . . 6089 1 360 . 1 1 56 56 GLY HA2 H 1 4.293 0.005 . 1 . . . . . . . . . 6089 1 361 . 1 1 56 56 GLY HA3 H 1 3.957 0.005 . 1 . . . . . . . . . 6089 1 362 . 1 1 57 57 ALA H H 1 7.672 0.005 . 1 . . . . . . . . . 6089 1 363 . 1 1 57 57 ALA HA H 1 4.235 0.005 . 1 . . . . . . . . . 6089 1 364 . 1 1 57 57 ALA HB1 H 1 1.601 0.005 . 1 . . . . . . . . . 6089 1 365 . 1 1 57 57 ALA HB2 H 1 1.601 0.005 . 1 . . . . . . . . . 6089 1 366 . 1 1 57 57 ALA HB3 H 1 1.601 0.005 . 1 . . . . . . . . . 6089 1 367 . 1 1 58 58 VAL H H 1 7.587 0.005 . 1 . . . . . . . . . 6089 1 368 . 1 1 58 58 VAL HA H 1 4.168 0.005 . 1 . . . . . . . . . 6089 1 369 . 1 1 58 58 VAL HB H 1 2.267 0.005 . 1 . . . . . . . . . 6089 1 370 . 1 1 58 58 VAL HG11 H 1 1.164 0.005 . 1 . . . . . . . . . 6089 1 371 . 1 1 58 58 VAL HG12 H 1 1.164 0.005 . 1 . . . . . . . . . 6089 1 372 . 1 1 58 58 VAL HG13 H 1 1.164 0.005 . 1 . . . . . . . . . 6089 1 373 . 1 1 58 58 VAL HG21 H 1 1.063 0.005 . 1 . . . . . . . . . 6089 1 374 . 1 1 58 58 VAL HG22 H 1 1.063 0.005 . 1 . . . . . . . . . 6089 1 375 . 1 1 58 58 VAL HG23 H 1 1.063 0.005 . 1 . . . . . . . . . 6089 1 376 . 1 1 59 59 ARG H H 1 8.813 0.005 . 1 . . . . . . . . . 6089 1 377 . 1 1 59 59 ARG HA H 1 4.363 0.005 . 1 . . . . . . . . . 6089 1 378 . 1 1 59 59 ARG HB2 H 1 1.971 0.005 . 1 . . . . . . . . . 6089 1 379 . 1 1 59 59 ARG HB3 H 1 1.89 0.005 . 1 . . . . . . . . . 6089 1 380 . 1 1 59 59 ARG HG2 H 1 1.809 0.005 . 1 . . . . . . . . . 6089 1 381 . 1 1 59 59 ARG HG3 H 1 1.809 0.005 . 1 . . . . . . . . . 6089 1 382 . 1 1 59 59 ARG HD2 H 1 3.397 0.005 . 1 . . . . . . . . . 6089 1 383 . 1 1 59 59 ARG HD3 H 1 3.397 0.005 . 1 . . . . . . . . . 6089 1 384 . 1 1 59 59 ARG HE H 1 7.396 0.005 . 1 . . . . . . . . . 6089 1 385 . 1 1 60 60 GLY H H 1 8.985 0.005 . 1 . . . . . . . . . 6089 1 386 . 1 1 60 60 GLY HA2 H 1 4.162 0.005 . 1 . . . . . . . . . 6089 1 387 . 1 1 60 60 GLY HA3 H 1 3.988 0.005 . 1 . . . . . . . . . 6089 1 388 . 1 1 61 61 ILE H H 1 7.721 0.005 . 1 . . . . . . . . . 6089 1 389 . 1 1 61 61 ILE HA H 1 3.667 0.005 . 1 . . . . . . . . . 6089 1 390 . 1 1 61 61 ILE HB H 1 2.1 0.005 . 1 . . . . . . . . . 6089 1 391 . 1 1 61 61 ILE HG12 H 1 2.038 0.005 . 1 . . . . . . . . . 6089 1 392 . 1 1 61 61 ILE HG13 H 1 2.038 0.005 . 1 . . . . . . . . . 6089 1 393 . 1 1 61 61 ILE HG21 H 1 1.664 0.005 . 1 . . . . . . . . . 6089 1 394 . 1 1 61 61 ILE HG22 H 1 1.664 0.005 . 1 . . . . . . . . . 6089 1 395 . 1 1 61 61 ILE HG23 H 1 1.664 0.005 . 1 . . . . . . . . . 6089 1 396 . 1 1 61 61 ILE HD11 H 1 1.077 0.005 . 1 . . . . . . . . . 6089 1 397 . 1 1 61 61 ILE HD12 H 1 1.077 0.005 . 1 . . . . . . . . . 6089 1 398 . 1 1 61 61 ILE HD13 H 1 1.077 0.005 . 1 . . . . . . . . . 6089 1 399 . 1 1 62 62 ASN H H 1 8.295 0.005 . 1 . . . . . . . . . 6089 1 400 . 1 1 62 62 ASN HA H 1 5.425 0.005 . 1 . . . . . . . . . 6089 1 401 . 1 1 62 62 ASN HB2 H 1 3.364 0.005 . 1 . . . . . . . . . 6089 1 402 . 1 1 62 62 ASN HB3 H 1 3.034 0.005 . 1 . . . . . . . . . 6089 1 403 . 1 1 62 62 ASN HD21 H 1 7.496 0.005 . 1 . . . . . . . . . 6089 1 404 . 1 1 62 62 ASN HD22 H 1 7.075 0.005 . 1 . . . . . . . . . 6089 1 405 . 1 1 63 63 PRO HA H 1 4.514 0.005 . 1 . . . . . . . . . 6089 1 406 . 1 1 63 63 PRO HB2 H 1 2.679 0.005 . 1 . . . . . . . . . 6089 1 407 . 1 1 63 63 PRO HB3 H 1 2.254 0.005 . 1 . . . . . . . . . 6089 1 408 . 1 1 63 63 PRO HG2 H 1 2.292 0.005 . 1 . . . . . . . . . 6089 1 409 . 1 1 63 63 PRO HG3 H 1 2.292 0.005 . 1 . . . . . . . . . 6089 1 410 . 1 1 63 63 PRO HD2 H 1 4.186 0.005 . 1 . . . . . . . . . 6089 1 411 . 1 1 63 63 PRO HD3 H 1 4.336 0.005 . 1 . . . . . . . . . 6089 1 412 . 1 1 64 64 ASN H H 1 8.43 0.005 . 1 . . . . . . . . . 6089 1 413 . 1 1 64 64 ASN HA H 1 4.691 0.005 . 1 . . . . . . . . . 6089 1 414 . 1 1 64 64 ASN HB2 H 1 2.93 0.005 . 1 . . . . . . . . . 6089 1 415 . 1 1 64 64 ASN HB3 H 1 2.888 0.005 . 1 . . . . . . . . . 6089 1 416 . 1 1 64 64 ASN HD21 H 1 7.884 0.005 . 1 . . . . . . . . . 6089 1 417 . 1 1 64 64 ASN HD22 H 1 7.276 0.005 . 1 . . . . . . . . . 6089 1 418 . 1 1 65 65 ASN H H 1 7.936 0.005 . 1 . . . . . . . . . 6089 1 419 . 1 1 65 65 ASN HA H 1 4.716 0.005 . 1 . . . . . . . . . 6089 1 420 . 1 1 65 65 ASN HB2 H 1 3.19 0.005 . 1 . . . . . . . . . 6089 1 421 . 1 1 65 65 ASN HB3 H 1 2.434 0.005 . 1 . . . . . . . . . 6089 1 422 . 1 1 66 66 ALA H H 1 7.711 0.005 . 1 . . . . . . . . . 6089 1 423 . 1 1 66 66 ALA HA H 1 4.138 0.005 . 1 . . . . . . . . . 6089 1 424 . 1 1 66 66 ALA HB1 H 1 1.659 0.005 . 1 . . . . . . . . . 6089 1 425 . 1 1 66 66 ALA HB2 H 1 1.659 0.005 . 1 . . . . . . . . . 6089 1 426 . 1 1 66 66 ALA HB3 H 1 1.659 0.005 . 1 . . . . . . . . . 6089 1 427 . 1 1 67 67 GLU H H 1 7.98 0.005 . 1 . . . . . . . . . 6089 1 428 . 1 1 67 67 GLU HA H 1 4.39 0.005 . 1 . . . . . . . . . 6089 1 429 . 1 1 67 67 GLU HB2 H 1 2.427 0.005 . 1 . . . . . . . . . 6089 1 430 . 1 1 67 67 GLU HB3 H 1 2.427 0.005 . 1 . . . . . . . . . 6089 1 431 . 1 1 67 67 GLU HG2 H 1 2.693 0.005 . 1 . . . . . . . . . 6089 1 432 . 1 1 67 67 GLU HG3 H 1 2.88 0.005 . 1 . . . . . . . . . 6089 1 433 . 1 1 68 68 ALA H H 1 7.646 0.005 . 1 . . . . . . . . . 6089 1 434 . 1 1 68 68 ALA HA H 1 4.556 0.005 . 1 . . . . . . . . . 6089 1 435 . 1 1 68 68 ALA HB1 H 1 1.879 0.005 . 1 . . . . . . . . . 6089 1 436 . 1 1 68 68 ALA HB2 H 1 1.879 0.005 . 1 . . . . . . . . . 6089 1 437 . 1 1 68 68 ALA HB3 H 1 1.879 0.005 . 1 . . . . . . . . . 6089 1 438 . 1 1 69 69 LEU H H 1 7.875 0.005 . 9 . . . . . . . . . 6089 1 439 . 1 1 69 69 LEU HA H 1 3.325 0.005 . 9 . . . . . . . . . 6089 1 440 . 1 1 69 69 LEU HB2 H 1 3.184 0.005 . 9 . . . . . . . . . 6089 1 441 . 1 1 69 69 LEU HB3 H 1 3.184 0.005 . 9 . . . . . . . . . 6089 1 442 . 1 1 69 69 LEU HG H 1 1.842 0.005 . 9 . . . . . . . . . 6089 1 443 . 1 1 69 69 LEU HD11 H 1 1.742 0.005 . 9 . . . . . . . . . 6089 1 444 . 1 1 69 69 LEU HD12 H 1 1.742 0.005 . 9 . . . . . . . . . 6089 1 445 . 1 1 69 69 LEU HD13 H 1 1.742 0.005 . 9 . . . . . . . . . 6089 1 446 . 1 1 69 69 LEU HD21 H 1 1.593 0.005 . 9 . . . . . . . . . 6089 1 447 . 1 1 69 69 LEU HD22 H 1 1.593 0.005 . 9 . . . . . . . . . 6089 1 448 . 1 1 69 69 LEU HD23 H 1 1.593 0.005 . 9 . . . . . . . . . 6089 1 449 . 1 1 70 70 PRO HA H 1 3.962 0.005 . 1 . . . . . . . . . 6089 1 450 . 1 1 70 70 PRO HB2 H 1 2.566 0.005 . 1 . . . . . . . . . 6089 1 451 . 1 1 70 70 PRO HB3 H 1 2.246 0.005 . 1 . . . . . . . . . 6089 1 452 . 1 1 70 70 PRO HG2 H 1 1.804 0.005 . 1 . . . . . . . . . 6089 1 453 . 1 1 70 70 PRO HG3 H 1 2.142 0.005 . 1 . . . . . . . . . 6089 1 454 . 1 1 70 70 PRO HD2 H 1 4.022 0.005 . 1 . . . . . . . . . 6089 1 455 . 1 1 70 70 PRO HD3 H 1 3.91 0.005 . 1 . . . . . . . . . 6089 1 456 . 1 1 71 71 GLY H H 1 8.618 0.005 . 1 . . . . . . . . . 6089 1 457 . 1 1 71 71 GLY HA2 H 1 4.098 0.005 . 1 . . . . . . . . . 6089 1 458 . 1 1 71 71 GLY HA3 H 1 4.098 0.005 . 1 . . . . . . . . . 6089 1 459 . 1 1 72 72 LYS H H 1 8.391 0.005 . 1 . . . . . . . . . 6089 1 460 . 1 1 72 72 LYS HA H 1 4.353 0.005 . 1 . . . . . . . . . 6089 1 461 . 1 1 72 72 LYS HB2 H 1 2.126 0.005 . 1 . . . . . . . . . 6089 1 462 . 1 1 72 72 LYS HB3 H 1 2.126 0.005 . 1 . . . . . . . . . 6089 1 463 . 1 1 72 72 LYS HG2 H 1 1.84 0.005 . 1 . . . . . . . . . 6089 1 464 . 1 1 72 72 LYS HG3 H 1 1.84 0.005 . 1 . . . . . . . . . 6089 1 465 . 1 1 72 72 LYS HD2 H 1 1.585 0.005 . 1 . . . . . . . . . 6089 1 466 . 1 1 72 72 LYS HD3 H 1 1.739 0.005 . 1 . . . . . . . . . 6089 1 467 . 1 1 72 72 LYS HE2 H 1 3.325 0.005 . 1 . . . . . . . . . 6089 1 468 . 1 1 72 72 LYS HE3 H 1 3.185 0.005 . 1 . . . . . . . . . 6089 1 469 . 1 1 73 73 CYS H H 1 7.886 0.005 . 1 . . . . . . . . . 6089 1 470 . 1 1 73 73 CYS HA H 1 5.116 0.005 . 1 . . . . . . . . . 6089 1 471 . 1 1 73 73 CYS HB2 H 1 3.342 0.005 . 1 . . . . . . . . . 6089 1 472 . 1 1 73 73 CYS HB3 H 1 2.756 0.005 . 1 . . . . . . . . . 6089 1 473 . 1 1 74 74 GLY H H 1 8.116 0.005 . 1 . . . . . . . . . 6089 1 474 . 1 1 74 74 GLY HA2 H 1 4.196 0.005 . 1 . . . . . . . . . 6089 1 475 . 1 1 74 74 GLY HA3 H 1 4.09 0.005 . 1 . . . . . . . . . 6089 1 476 . 1 1 75 75 VAL H H 1 8.237 0.005 . 1 . . . . . . . . . 6089 1 477 . 1 1 75 75 VAL HA H 1 4.584 0.005 . 1 . . . . . . . . . 6089 1 478 . 1 1 75 75 VAL HB H 1 2.041 0.005 . 1 . . . . . . . . . 6089 1 479 . 1 1 75 75 VAL HG11 H 1 0.952 0.005 . 1 . . . . . . . . . 6089 1 480 . 1 1 75 75 VAL HG12 H 1 0.952 0.005 . 1 . . . . . . . . . 6089 1 481 . 1 1 75 75 VAL HG13 H 1 0.952 0.005 . 1 . . . . . . . . . 6089 1 482 . 1 1 75 75 VAL HG21 H 1 0.842 0.005 . 1 . . . . . . . . . 6089 1 483 . 1 1 75 75 VAL HG22 H 1 0.842 0.005 . 1 . . . . . . . . . 6089 1 484 . 1 1 75 75 VAL HG23 H 1 0.842 0.005 . 1 . . . . . . . . . 6089 1 485 . 1 1 76 76 ASN H H 1 8.61 0.005 . 1 . . . . . . . . . 6089 1 486 . 1 1 76 76 ASN HA H 1 4.974 0.005 . 1 . . . . . . . . . 6089 1 487 . 1 1 76 76 ASN HB2 H 1 2.832 0.005 . 1 . . . . . . . . . 6089 1 488 . 1 1 76 76 ASN HB3 H 1 2.745 0.005 . 1 . . . . . . . . . 6089 1 489 . 1 1 77 77 ILE H H 1 8.263 0.005 . 1 . . . . . . . . . 6089 1 490 . 1 1 77 77 ILE HA H 1 4.766 0.005 . 1 . . . . . . . . . 6089 1 491 . 1 1 77 77 ILE HB H 1 1.604 0.005 . 1 . . . . . . . . . 6089 1 492 . 1 1 77 77 ILE HG12 H 1 0.853 0.005 . 2 . . . . . . . . . 6089 1 493 . 1 1 77 77 ILE HG21 H 1 0.871 0.005 . 1 . . . . . . . . . 6089 1 494 . 1 1 77 77 ILE HG22 H 1 0.871 0.005 . 1 . . . . . . . . . 6089 1 495 . 1 1 77 77 ILE HG23 H 1 0.871 0.005 . 1 . . . . . . . . . 6089 1 496 . 1 1 77 77 ILE HD11 H 1 0.566 0.005 . 1 . . . . . . . . . 6089 1 497 . 1 1 77 77 ILE HD12 H 1 0.566 0.005 . 1 . . . . . . . . . 6089 1 498 . 1 1 77 77 ILE HD13 H 1 0.566 0.005 . 1 . . . . . . . . . 6089 1 499 . 1 1 78 78 PRO HA H 1 4.818 0.005 . 1 . . . . . . . . . 6089 1 500 . 1 1 78 78 PRO HB2 H 1 2.488 0.005 . 1 . . . . . . . . . 6089 1 501 . 1 1 78 78 PRO HB3 H 1 2.355 0.005 . 1 . . . . . . . . . 6089 1 502 . 1 1 78 78 PRO HG2 H 1 2.308 0.005 . 1 . . . . . . . . . 6089 1 503 . 1 1 78 78 PRO HG3 H 1 2.038 0.005 . 1 . . . . . . . . . 6089 1 504 . 1 1 78 78 PRO HD2 H 1 3.676 0.005 . 1 . . . . . . . . . 6089 1 505 . 1 1 78 78 PRO HD3 H 1 3.898 0.005 . 1 . . . . . . . . . 6089 1 506 . 1 1 79 79 TYR H H 1 7.712 0.005 . 1 . . . . . . . . . 6089 1 507 . 1 1 79 79 TYR HA H 1 4.986 0.005 . 1 . . . . . . . . . 6089 1 508 . 1 1 79 79 TYR HB2 H 1 3.159 0.005 . 1 . . . . . . . . . 6089 1 509 . 1 1 79 79 TYR HB3 H 1 3.159 0.005 . 1 . . . . . . . . . 6089 1 510 . 1 1 79 79 TYR HD1 H 1 6.93 0.005 . 3 . . . . . . . . . 6089 1 511 . 1 1 79 79 TYR HE1 H 1 6.847 0.005 . 3 . . . . . . . . . 6089 1 512 . 1 1 80 80 LYS H H 1 8.568 0.005 . 1 . . . . . . . . . 6089 1 513 . 1 1 80 80 LYS HA H 1 4.685 0.005 . 1 . . . . . . . . . 6089 1 514 . 1 1 80 80 LYS HB2 H 1 1.875 0.005 . 1 . . . . . . . . . 6089 1 515 . 1 1 80 80 LYS HB3 H 1 1.814 0.005 . 1 . . . . . . . . . 6089 1 516 . 1 1 80 80 LYS HG2 H 1 1.659 0.005 . 1 . . . . . . . . . 6089 1 517 . 1 1 80 80 LYS HG3 H 1 1.659 0.005 . 1 . . . . . . . . . 6089 1 518 . 1 1 80 80 LYS HD2 H 1 1.601 0.005 . 1 . . . . . . . . . 6089 1 519 . 1 1 80 80 LYS HD3 H 1 1.601 0.005 . 1 . . . . . . . . . 6089 1 520 . 1 1 81 81 ILE H H 1 9.384 0.005 . 1 . . . . . . . . . 6089 1 521 . 1 1 81 81 ILE HA H 1 4.188 0.005 . 1 . . . . . . . . . 6089 1 522 . 1 1 81 81 ILE HB H 1 2.03 0.005 . 1 . . . . . . . . . 6089 1 523 . 1 1 81 81 ILE HG12 H 1 1.95 0.005 . 2 . . . . . . . . . 6089 1 524 . 1 1 81 81 ILE HG21 H 1 1.178 0.005 . 1 . . . . . . . . . 6089 1 525 . 1 1 81 81 ILE HG22 H 1 1.178 0.005 . 1 . . . . . . . . . 6089 1 526 . 1 1 81 81 ILE HG23 H 1 1.178 0.005 . 1 . . . . . . . . . 6089 1 527 . 1 1 81 81 ILE HD11 H 1 0.947 0.005 . 1 . . . . . . . . . 6089 1 528 . 1 1 81 81 ILE HD12 H 1 0.947 0.005 . 1 . . . . . . . . . 6089 1 529 . 1 1 81 81 ILE HD13 H 1 0.947 0.005 . 1 . . . . . . . . . 6089 1 530 . 1 1 82 82 SER H H 1 7.528 0.005 . 1 . . . . . . . . . 6089 1 531 . 1 1 82 82 SER HA H 1 4.87 0.005 . 1 . . . . . . . . . 6089 1 532 . 1 1 82 82 SER HB2 H 1 4.138 0.005 . 1 . . . . . . . . . 6089 1 533 . 1 1 82 82 SER HB3 H 1 3.729 0.005 . 1 . . . . . . . . . 6089 1 534 . 1 1 83 83 THR H H 1 8.913 0.005 . 1 . . . . . . . . . 6089 1 535 . 1 1 83 83 THR HA H 1 4.368 0.005 . 1 . . . . . . . . . 6089 1 536 . 1 1 83 83 THR HB H 1 4.602 0.005 . 1 . . . . . . . . . 6089 1 537 . 1 1 83 83 THR HG21 H 1 1.486 0.005 . 1 . . . . . . . . . 6089 1 538 . 1 1 83 83 THR HG22 H 1 1.486 0.005 . 1 . . . . . . . . . 6089 1 539 . 1 1 83 83 THR HG23 H 1 1.486 0.005 . 1 . . . . . . . . . 6089 1 540 . 1 1 84 84 SER H H 1 8.418 0.005 . 1 . . . . . . . . . 6089 1 541 . 1 1 84 84 SER HA H 1 4.745 0.005 . 1 . . . . . . . . . 6089 1 542 . 1 1 84 84 SER HB2 H 1 4.135 0.005 . 1 . . . . . . . . . 6089 1 543 . 1 1 84 84 SER HB3 H 1 4.026 0.005 . 1 . . . . . . . . . 6089 1 544 . 1 1 85 85 THR H H 1 7.452 0.005 . 1 . . . . . . . . . 6089 1 545 . 1 1 85 85 THR HA H 1 4.07 0.005 . 1 . . . . . . . . . 6089 1 546 . 1 1 85 85 THR HB H 1 4.298 0.005 . 1 . . . . . . . . . 6089 1 547 . 1 1 85 85 THR HG21 H 1 1.338 0.005 . 1 . . . . . . . . . 6089 1 548 . 1 1 85 85 THR HG22 H 1 1.338 0.005 . 1 . . . . . . . . . 6089 1 549 . 1 1 85 85 THR HG23 H 1 1.338 0.005 . 1 . . . . . . . . . 6089 1 550 . 1 1 86 86 ASN H H 1 9.058 0.005 . 1 . . . . . . . . . 6089 1 551 . 1 1 86 86 ASN HA H 1 5.058 0.005 . 1 . . . . . . . . . 6089 1 552 . 1 1 86 86 ASN HB2 H 1 3.289 0.005 . 1 . . . . . . . . . 6089 1 553 . 1 1 86 86 ASN HB3 H 1 3.002 0.005 . 1 . . . . . . . . . 6089 1 554 . 1 1 86 86 ASN HD21 H 1 7.809 0.005 . 1 . . . . . . . . . 6089 1 555 . 1 1 86 86 ASN HD22 H 1 7.198 0.005 . 1 . . . . . . . . . 6089 1 556 . 1 1 87 87 CYS H H 1 9.137 0.005 . 1 . . . . . . . . . 6089 1 557 . 1 1 87 87 CYS HA H 1 4.518 0.005 . 1 . . . . . . . . . 6089 1 558 . 1 1 87 87 CYS HB2 H 1 2.903 0.005 . 1 . . . . . . . . . 6089 1 559 . 1 1 87 87 CYS HB3 H 1 3.298 0.005 . 1 . . . . . . . . . 6089 1 560 . 1 1 88 88 ASN H H 1 8.299 0.005 . 1 . . . . . . . . . 6089 1 561 . 1 1 88 88 ASN HA H 1 4.693 0.005 . 1 . . . . . . . . . 6089 1 562 . 1 1 88 88 ASN HB2 H 1 3.027 0.005 . 1 . . . . . . . . . 6089 1 563 . 1 1 88 88 ASN HB3 H 1 3.027 0.005 . 1 . . . . . . . . . 6089 1 564 . 1 1 88 88 ASN HD21 H 1 7.818 0.005 . 1 . . . . . . . . . 6089 1 565 . 1 1 88 88 ASN HD22 H 1 7.186 0.005 . 1 . . . . . . . . . 6089 1 566 . 1 1 89 89 SER H H 1 7.652 0.005 . 1 . . . . . . . . . 6089 1 567 . 1 1 89 89 SER HA H 1 4.671 0.005 . 1 . . . . . . . . . 6089 1 568 . 1 1 89 89 SER HB2 H 1 4.134 0.005 . 1 . . . . . . . . . 6089 1 569 . 1 1 89 89 SER HB3 H 1 4.049 0.005 . 1 . . . . . . . . . 6089 1 570 . 1 1 90 90 ILE H H 1 7.1 0.005 . 1 . . . . . . . . . 6089 1 571 . 1 1 90 90 ILE HA H 1 4.377 0.005 . 1 . . . . . . . . . 6089 1 572 . 1 1 90 90 ILE HB H 1 2.149 0.005 . 1 . . . . . . . . . 6089 1 573 . 1 1 90 90 ILE HG12 H 1 1.42 0.005 . 1 . . . . . . . . . 6089 1 574 . 1 1 90 90 ILE HG13 H 1 1.565 0.005 . 1 . . . . . . . . . 6089 1 575 . 1 1 90 90 ILE HG21 H 1 1.111 0.005 . 1 . . . . . . . . . 6089 1 576 . 1 1 90 90 ILE HG22 H 1 1.111 0.005 . 1 . . . . . . . . . 6089 1 577 . 1 1 90 90 ILE HG23 H 1 1.111 0.005 . 1 . . . . . . . . . 6089 1 578 . 1 1 90 90 ILE HD11 H 1 0.84 0.005 . 1 . . . . . . . . . 6089 1 579 . 1 1 90 90 ILE HD12 H 1 0.84 0.005 . 1 . . . . . . . . . 6089 1 580 . 1 1 90 90 ILE HD13 H 1 0.84 0.005 . 1 . . . . . . . . . 6089 1 581 . 1 1 91 91 ASN H H 1 8.626 0.005 . 1 . . . . . . . . . 6089 1 582 . 1 1 91 91 ASN HA H 1 4.958 0.005 . 1 . . . . . . . . . 6089 1 583 . 1 1 91 91 ASN HB2 H 1 3.031 0.005 . 1 . . . . . . . . . 6089 1 584 . 1 1 91 91 ASN HB3 H 1 2.88 0.005 . 1 . . . . . . . . . 6089 1 stop_ save_