data_6082 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6082 _Entry.Title ; Structure in solution of SFA8, a Albumin 2S from Sunflower seeds ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-23 _Entry.Accession_date 2004-01-23 _Entry.Last_release_date 2004-01-23 _Entry.Original_release_date 2004-01-23 _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 David Pantoja-Uceda . D. . . 6082 2 Marta Bruix . M. . . 6082 3 Peter Shewry . P. . . 6082 4 Jorge Santoro . J. . . 6082 5 Manuel Rico . M. . . 6082 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6082 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 636 6082 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 . . 2004-06-25 . original BMRB . 6082 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6082 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15170335 _Citation.Full_citation . _Citation.Title ; Solution structure of a Methionine-Rich 2S Albumin form Sunflower Seeds: Relationship to Its Allergenic and Emulsifying Properties(,). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 22 _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 6976 _Citation.Page_last 6986 _Citation.Year 2004 _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 David Pantoja-Uceda . D. . . 6082 1 2 Peter Shewry . P.R. . . 6082 1 3 Marta Bruix . M. . . 6082 1 4 Arthur Tatham . A.S. . . 6082 1 5 Jorge Santoro . J. . . 6082 1 6 Manuel Rico . M. . . 6082 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SFA8 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SFA8 _Assembly.Entry_ID 6082 _Assembly.ID 1 _Assembly.Name 'methionine-rich 2S albumin from Sunflower seed' _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 6082 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 'SFA8 monomer' 1 $SFA8 . . . native . . . . . 6082 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 11 11 SG . 1 . 1 CYS 62 62 SG . . . . . . . . . . . . 6082 1 2 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . . . 6082 1 3 disulfide single . 1 . 1 CYS 52 52 SG . 1 . 1 CYS 94 94 SG . . . . . . . . . . . . 6082 1 4 disulfide single . 1 . 1 CYS 64 64 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . . . 6082 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes TrEMBL P23110 . . . . . . 6082 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SFA8 abbreviation 6082 1 'methionine-rich 2S albumin from Sunflower seed' system 6082 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'storage protein' 6082 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SFA8 _Entity.Sf_category entity _Entity.Sf_framecode SFA8 _Entity.Entry_ID 6082 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'methionine-rich 2S albumin from Sunflower seed' _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 ; PYGRGRTESGCYQQMEEAEM LNHCGMYLMKNLGERSQVSP RMREEDHKQLCCMQLKNLDE KCMCPAIMMMLNEPMWIRMR DQVMSMAHNLPIECNLMSQP CQM ; _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 103 _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 12133 _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 1S6D . 'Structure In Solution Of A Methionine-Rich 2s Albumin Protein From Sunflower Seed' . . . . . 100.00 103 100.00 100.00 5.44e-53 . . . . 6082 1 2 no EMBL CAA40015 . 'pre-pro-seed albumin [Helianthus annuus]' . . . . . 100.00 141 100.00 100.00 7.16e-55 . . . . 6082 1 3 no SWISS-PROT P23110 . 'Albumin-8 precursor (Methionine-rich 2S protein) (SFA8)' . . . . . 100.00 141 100.00 100.00 7.16e-55 . . . . 6082 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SFA8 abbreviation 6082 1 'methionine-rich 2S albumin from Sunflower seed' common 6082 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 . PRO . 6082 1 2 . TYR . 6082 1 3 . GLY . 6082 1 4 . ARG . 6082 1 5 . GLY . 6082 1 6 . ARG . 6082 1 7 . THR . 6082 1 8 . GLU . 6082 1 9 . SER . 6082 1 10 . GLY . 6082 1 11 . CYS . 6082 1 12 . TYR . 6082 1 13 . GLN . 6082 1 14 . GLN . 6082 1 15 . MET . 6082 1 16 . GLU . 6082 1 17 . GLU . 6082 1 18 . ALA . 6082 1 19 . GLU . 6082 1 20 . MET . 6082 1 21 . LEU . 6082 1 22 . ASN . 6082 1 23 . HIS . 6082 1 24 . CYS . 6082 1 25 . GLY . 6082 1 26 . MET . 6082 1 27 . TYR . 6082 1 28 . LEU . 6082 1 29 . MET . 6082 1 30 . LYS . 6082 1 31 . ASN . 6082 1 32 . LEU . 6082 1 33 . GLY . 6082 1 34 . GLU . 6082 1 35 . ARG . 6082 1 36 . SER . 6082 1 37 . GLN . 6082 1 38 . VAL . 6082 1 39 . SER . 6082 1 40 . PRO . 6082 1 41 . ARG . 6082 1 42 . MET . 6082 1 43 . ARG . 6082 1 44 . GLU . 6082 1 45 . GLU . 6082 1 46 . ASP . 6082 1 47 . HIS . 6082 1 48 . LYS . 6082 1 49 . GLN . 6082 1 50 . LEU . 6082 1 51 . CYS . 6082 1 52 . CYS . 6082 1 53 . MET . 6082 1 54 . GLN . 6082 1 55 . LEU . 6082 1 56 . LYS . 6082 1 57 . ASN . 6082 1 58 . LEU . 6082 1 59 . ASP . 6082 1 60 . GLU . 6082 1 61 . LYS . 6082 1 62 . CYS . 6082 1 63 . MET . 6082 1 64 . CYS . 6082 1 65 . PRO . 6082 1 66 . ALA . 6082 1 67 . ILE . 6082 1 68 . MET . 6082 1 69 . MET . 6082 1 70 . MET . 6082 1 71 . LEU . 6082 1 72 . ASN . 6082 1 73 . GLU . 6082 1 74 . PRO . 6082 1 75 . MET . 6082 1 76 . TRP . 6082 1 77 . ILE . 6082 1 78 . ARG . 6082 1 79 . MET . 6082 1 80 . ARG . 6082 1 81 . ASP . 6082 1 82 . GLN . 6082 1 83 . VAL . 6082 1 84 . MET . 6082 1 85 . SER . 6082 1 86 . MET . 6082 1 87 . ALA . 6082 1 88 . HIS . 6082 1 89 . ASN . 6082 1 90 . LEU . 6082 1 91 . PRO . 6082 1 92 . ILE . 6082 1 93 . GLU . 6082 1 94 . CYS . 6082 1 95 . ASN . 6082 1 96 . LEU . 6082 1 97 . MET . 6082 1 98 . SER . 6082 1 99 . GLN . 6082 1 100 . PRO . 6082 1 101 . CYS . 6082 1 102 . GLN . 6082 1 103 . MET . 6082 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 . PRO 1 1 6082 1 . TYR 2 2 6082 1 . GLY 3 3 6082 1 . ARG 4 4 6082 1 . GLY 5 5 6082 1 . ARG 6 6 6082 1 . THR 7 7 6082 1 . GLU 8 8 6082 1 . SER 9 9 6082 1 . GLY 10 10 6082 1 . CYS 11 11 6082 1 . TYR 12 12 6082 1 . GLN 13 13 6082 1 . GLN 14 14 6082 1 . MET 15 15 6082 1 . GLU 16 16 6082 1 . GLU 17 17 6082 1 . ALA 18 18 6082 1 . GLU 19 19 6082 1 . MET 20 20 6082 1 . LEU 21 21 6082 1 . ASN 22 22 6082 1 . HIS 23 23 6082 1 . CYS 24 24 6082 1 . GLY 25 25 6082 1 . MET 26 26 6082 1 . TYR 27 27 6082 1 . LEU 28 28 6082 1 . MET 29 29 6082 1 . LYS 30 30 6082 1 . ASN 31 31 6082 1 . LEU 32 32 6082 1 . GLY 33 33 6082 1 . GLU 34 34 6082 1 . ARG 35 35 6082 1 . SER 36 36 6082 1 . GLN 37 37 6082 1 . VAL 38 38 6082 1 . SER 39 39 6082 1 . PRO 40 40 6082 1 . ARG 41 41 6082 1 . MET 42 42 6082 1 . ARG 43 43 6082 1 . GLU 44 44 6082 1 . GLU 45 45 6082 1 . ASP 46 46 6082 1 . HIS 47 47 6082 1 . LYS 48 48 6082 1 . GLN 49 49 6082 1 . LEU 50 50 6082 1 . CYS 51 51 6082 1 . CYS 52 52 6082 1 . MET 53 53 6082 1 . GLN 54 54 6082 1 . LEU 55 55 6082 1 . LYS 56 56 6082 1 . ASN 57 57 6082 1 . LEU 58 58 6082 1 . ASP 59 59 6082 1 . GLU 60 60 6082 1 . LYS 61 61 6082 1 . CYS 62 62 6082 1 . MET 63 63 6082 1 . CYS 64 64 6082 1 . PRO 65 65 6082 1 . ALA 66 66 6082 1 . ILE 67 67 6082 1 . MET 68 68 6082 1 . MET 69 69 6082 1 . MET 70 70 6082 1 . LEU 71 71 6082 1 . ASN 72 72 6082 1 . GLU 73 73 6082 1 . PRO 74 74 6082 1 . MET 75 75 6082 1 . TRP 76 76 6082 1 . ILE 77 77 6082 1 . ARG 78 78 6082 1 . MET 79 79 6082 1 . ARG 80 80 6082 1 . ASP 81 81 6082 1 . GLN 82 82 6082 1 . VAL 83 83 6082 1 . MET 84 84 6082 1 . SER 85 85 6082 1 . MET 86 86 6082 1 . ALA 87 87 6082 1 . HIS 88 88 6082 1 . ASN 89 89 6082 1 . LEU 90 90 6082 1 . PRO 91 91 6082 1 . ILE 92 92 6082 1 . GLU 93 93 6082 1 . CYS 94 94 6082 1 . ASN 95 95 6082 1 . LEU 96 96 6082 1 . MET 97 97 6082 1 . SER 98 98 6082 1 . GLN 99 99 6082 1 . PRO 100 100 6082 1 . CYS 101 101 6082 1 . GLN 102 102 6082 1 . MET 103 103 6082 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 6082 _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 $SFA8 . 4232 . . 'Helianthus annuus' 'common sunflower' . . Eukaryota Viridiplantae Helianthus annuus . . . . . . . . . . . . . 6082 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 6082 _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 $SFA8 . 'purified from the natural source' . . . . . . . . . . . . . . . . 6082 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 6082 _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 'methionine-rich 2S albumin from Sunflower seed' . . . 1 $SFA8 . . 1.2 . . mM . . . . 6082 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6082 _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 0.1 n/a 6082 1 temperature 308 0.1 K 6082 1 stop_ save_ ############################ # Computer software used # ############################ save_XwinNMR _Software.Sf_category software _Software.Sf_framecode XwinNMR _Software.Entry_ID 6082 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6082 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6082 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6082 _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_1 Bruker AV . 600 . . . 6082 1 2 NMR_spectrometer_2 Bruker AV . 800 . . . 6082 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 6082 _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 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6082 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6082 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6082 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 6082 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6082 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6082 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 COSY 1 $sample1 . 6082 1 2 TOCSY 1 $sample1 . 6082 1 3 NOESY 1 $sample1 . 6082 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 PRO HA H 1 4.319 0.01 . 1 . . . . . . . . . 6082 1 2 . 1 1 1 1 PRO HB2 H 1 2.419 0.01 . 2 . . . . . . . . . 6082 1 3 . 1 1 1 1 PRO HB3 H 1 2.019 0.01 . 2 . . . . . . . . . 6082 1 4 . 1 1 1 1 PRO HG2 H 1 1.970 0.01 . 1 . . . . . . . . . 6082 1 5 . 1 1 1 1 PRO HD2 H 1 3.393 0.01 . 1 . . . . . . . . . 6082 1 6 . 1 1 2 2 TYR H H 1 8.684 0.01 . 1 . . . . . . . . . 6082 1 7 . 1 1 2 2 TYR HA H 1 4.586 0.01 . 1 . . . . . . . . . 6082 1 8 . 1 1 2 2 TYR HB2 H 1 3.083 0.01 . 2 . . . . . . . . . 6082 1 9 . 1 1 2 2 TYR HB3 H 1 2.980 0.01 . 2 . . . . . . . . . 6082 1 10 . 1 1 2 2 TYR HE1 H 1 6.844 0.01 . 1 . . . . . . . . . 6082 1 11 . 1 1 2 2 TYR HD1 H 1 7.144 0.01 . 1 . . . . . . . . . 6082 1 12 . 1 1 3 3 GLY H H 1 8.340 0.01 . 1 . . . . . . . . . 6082 1 13 . 1 1 3 3 GLY HA2 H 1 3.902 0.01 . 1 . . . . . . . . . 6082 1 14 . 1 1 4 4 ARG H H 1 8.168 0.01 . 1 . . . . . . . . . 6082 1 15 . 1 1 4 4 ARG HA H 1 4.353 0.01 . 1 . . . . . . . . . 6082 1 16 . 1 1 4 4 ARG HB3 H 1 1.741 0.01 . 2 . . . . . . . . . 6082 1 17 . 1 1 4 4 ARG HB2 H 1 1.886 0.01 . 2 . . . . . . . . . 6082 1 18 . 1 1 4 4 ARG HG2 H 1 1.633 0.01 . 2 . . . . . . . . . 6082 1 19 . 1 1 4 4 ARG HD2 H 1 3.208 0.01 . 1 . . . . . . . . . 6082 1 20 . 1 1 4 4 ARG HE H 1 7.190 0.01 . 1 . . . . . . . . . 6082 1 21 . 1 1 5 5 GLY H H 1 8.439 0.01 . 1 . . . . . . . . . 6082 1 22 . 1 1 5 5 GLY HA2 H 1 3.961 0.01 . 1 . . . . . . . . . 6082 1 23 . 1 1 6 6 ARG H H 1 8.248 0.01 . 1 . . . . . . . . . 6082 1 24 . 1 1 6 6 ARG HA H 1 4.396 0.01 . 1 . . . . . . . . . 6082 1 25 . 1 1 6 6 ARG HB3 H 1 1.779 0.01 . 2 . . . . . . . . . 6082 1 26 . 1 1 6 6 ARG HB2 H 1 1.873 0.01 . 2 . . . . . . . . . 6082 1 27 . 1 1 6 6 ARG HG2 H 1 1.623 0.01 . 1 . . . . . . . . . 6082 1 28 . 1 1 6 6 ARG HD2 H 1 3.176 0.01 . 1 . . . . . . . . . 6082 1 29 . 1 1 6 6 ARG HE H 1 7.162 0.01 . 1 . . . . . . . . . 6082 1 30 . 1 1 7 7 THR H H 1 8.183 0.01 . 1 . . . . . . . . . 6082 1 31 . 1 1 7 7 THR HA H 1 4.323 0.01 . 1 . . . . . . . . . 6082 1 32 . 1 1 7 7 THR HB H 1 4.195 0.01 . 1 . . . . . . . . . 6082 1 33 . 1 1 7 7 THR HG21 H 1 1.200 0.01 . 1 . . . . . . . . . 6082 1 34 . 1 1 7 7 THR HG22 H 1 1.200 0.01 . 1 . . . . . . . . . 6082 1 35 . 1 1 7 7 THR HG23 H 1 1.200 0.01 . 1 . . . . . . . . . 6082 1 36 . 1 1 8 8 GLU H H 1 8.393 0.01 . 1 . . . . . . . . . 6082 1 37 . 1 1 8 8 GLU HA H 1 4.449 0.01 . 1 . . . . . . . . . 6082 1 38 . 1 1 8 8 GLU HB3 H 1 1.974 0.01 . 2 . . . . . . . . . 6082 1 39 . 1 1 8 8 GLU HB2 H 1 2.124 0.01 . 2 . . . . . . . . . 6082 1 40 . 1 1 8 8 GLU HG2 H 1 2.440 0.01 . 1 . . . . . . . . . 6082 1 41 . 1 1 9 9 SER H H 1 8.360 0.01 . 1 . . . . . . . . . 6082 1 42 . 1 1 9 9 SER HA H 1 4.487 0.01 . 1 . . . . . . . . . 6082 1 43 . 1 1 9 9 SER HB2 H 1 3.956 0.01 . 2 . . . . . . . . . 6082 1 44 . 1 1 9 9 SER HB3 H 1 3.922 0.01 . 2 . . . . . . . . . 6082 1 45 . 1 1 10 10 GLY H H 1 8.615 0.01 . 1 . . . . . . . . . 6082 1 46 . 1 1 10 10 GLY HA2 H 1 4.120 0.01 . 2 . . . . . . . . . 6082 1 47 . 1 1 11 11 CYS H H 1 8.594 0.01 . 1 . . . . . . . . . 6082 1 48 . 1 1 11 11 CYS HA H 1 4.596 0.01 . 1 . . . . . . . . . 6082 1 49 . 1 1 11 11 CYS HB2 H 1 2.933 0.01 . 2 . . . . . . . . . 6082 1 50 . 1 1 11 11 CYS HB3 H 1 2.871 0.01 . 2 . . . . . . . . . 6082 1 51 . 1 1 12 12 TYR H H 1 8.672 0.01 . 1 . . . . . . . . . 6082 1 52 . 1 1 12 12 TYR HA H 1 4.138 0.01 . 1 . . . . . . . . . 6082 1 53 . 1 1 12 12 TYR HB2 H 1 3.116 0.01 . 2 . . . . . . . . . 6082 1 54 . 1 1 12 12 TYR HB3 H 1 2.986 0.01 . 2 . . . . . . . . . 6082 1 55 . 1 1 12 12 TYR HE1 H 1 6.753 0.01 . 1 . . . . . . . . . 6082 1 56 . 1 1 12 12 TYR HD1 H 1 7.118 0.01 . 1 . . . . . . . . . 6082 1 57 . 1 1 13 13 GLN H H 1 7.981 0.01 . 1 . . . . . . . . . 6082 1 58 . 1 1 13 13 GLN HA H 1 4.048 0.01 . 1 . . . . . . . . . 6082 1 59 . 1 1 13 13 GLN HB2 H 1 2.247 0.01 . 2 . . . . . . . . . 6082 1 60 . 1 1 13 13 GLN HB3 H 1 2.126 0.01 . 2 . . . . . . . . . 6082 1 61 . 1 1 13 13 GLN HG2 H 1 2.488 0.01 . 2 . . . . . . . . . 6082 1 62 . 1 1 13 13 GLN HG3 H 1 2.451 0.01 . 2 . . . . . . . . . 6082 1 63 . 1 1 13 13 GLN HE21 H 1 7.437 0.01 . 2 . . . . . . . . . 6082 1 64 . 1 1 13 13 GLN HE22 H 1 6.899 0.01 . 2 . . . . . . . . . 6082 1 65 . 1 1 14 14 GLN H H 1 7.855 0.01 . 1 . . . . . . . . . 6082 1 66 . 1 1 14 14 GLN HA H 1 3.993 0.01 . 1 . . . . . . . . . 6082 1 67 . 1 1 14 14 GLN HB3 H 1 2.347 0.01 . 2 . . . . . . . . . 6082 1 68 . 1 1 14 14 GLN HG2 H 1 2.631 0.01 . 2 . . . . . . . . . 6082 1 69 . 1 1 14 14 GLN HE21 H 1 7.030 0.01 . 2 . . . . . . . . . 6082 1 70 . 1 1 14 14 GLN HE22 H 1 6.402 0.01 . 2 . . . . . . . . . 6082 1 71 . 1 1 15 15 MET H H 1 8.139 0.01 . 1 . . . . . . . . . 6082 1 72 . 1 1 15 15 MET HA H 1 3.797 0.01 . 1 . . . . . . . . . 6082 1 73 . 1 1 15 15 MET HB2 H 1 2.291 0.01 . 2 . . . . . . . . . 6082 1 74 . 1 1 15 15 MET HB3 H 1 2.004 0.01 . 2 . . . . . . . . . 6082 1 75 . 1 1 15 15 MET HG2 H 1 2.543 0.01 . 2 . . . . . . . . . 6082 1 76 . 1 1 15 15 MET HG3 H 1 2.294 0.01 . 2 . . . . . . . . . 6082 1 77 . 1 1 15 15 MET HE1 H 1 1.912 0.01 . 1 . . . . . . . . . 6082 1 78 . 1 1 15 15 MET HE2 H 1 1.912 0.01 . 1 . . . . . . . . . 6082 1 79 . 1 1 15 15 MET HE3 H 1 1.912 0.01 . 1 . . . . . . . . . 6082 1 80 . 1 1 16 16 GLU H H 1 8.241 0.01 . 1 . . . . . . . . . 6082 1 81 . 1 1 16 16 GLU HA H 1 3.953 0.01 . 1 . . . . . . . . . 6082 1 82 . 1 1 16 16 GLU HB3 H 1 1.956 0.01 . 2 . . . . . . . . . 6082 1 83 . 1 1 16 16 GLU HB2 H 1 2.071 0.01 . 2 . . . . . . . . . 6082 1 84 . 1 1 16 16 GLU HG3 H 1 2.142 0.01 . 2 . . . . . . . . . 6082 1 85 . 1 1 16 16 GLU HG2 H 1 2.293 0.01 . 2 . . . . . . . . . 6082 1 86 . 1 1 17 17 GLU H H 1 7.937 0.01 . 1 . . . . . . . . . 6082 1 87 . 1 1 17 17 GLU HA H 1 4.183 0.01 . 1 . . . . . . . . . 6082 1 88 . 1 1 17 17 GLU HB3 H 1 2.236 0.01 . 2 . . . . . . . . . 6082 1 89 . 1 1 17 17 GLU HB2 H 1 2.252 0.01 . 2 . . . . . . . . . 6082 1 90 . 1 1 17 17 GLU HG3 H 1 2.587 0.01 . 2 . . . . . . . . . 6082 1 91 . 1 1 17 17 GLU HG2 H 1 2.683 0.01 . 2 . . . . . . . . . 6082 1 92 . 1 1 18 18 ALA H H 1 7.488 0.01 . 1 . . . . . . . . . 6082 1 93 . 1 1 18 18 ALA HA H 1 4.637 0.01 . 1 . . . . . . . . . 6082 1 94 . 1 1 18 18 ALA HB1 H 1 1.417 0.01 . 1 . . . . . . . . . 6082 1 95 . 1 1 18 18 ALA HB2 H 1 1.417 0.01 . 1 . . . . . . . . . 6082 1 96 . 1 1 18 18 ALA HB3 H 1 1.417 0.01 . 1 . . . . . . . . . 6082 1 97 . 1 1 19 19 GLU H H 1 7.715 0.01 . 1 . . . . . . . . . 6082 1 98 . 1 1 19 19 GLU HA H 1 3.946 0.01 . 1 . . . . . . . . . 6082 1 99 . 1 1 19 19 GLU HB3 H 1 2.180 0.01 . 2 . . . . . . . . . 6082 1 100 . 1 1 19 19 GLU HB2 H 1 2.266 0.01 . 2 . . . . . . . . . 6082 1 101 . 1 1 19 19 GLU HG3 H 1 2.441 0.01 . 2 . . . . . . . . . 6082 1 102 . 1 1 19 19 GLU HG2 H 1 2.514 0.01 . 2 . . . . . . . . . 6082 1 103 . 1 1 20 20 MET H H 1 8.439 0.01 . 1 . . . . . . . . . 6082 1 104 . 1 1 20 20 MET HA H 1 4.400 0.01 . 1 . . . . . . . . . 6082 1 105 . 1 1 20 20 MET HB2 H 1 1.932 0.01 . 2 . . . . . . . . . 6082 1 106 . 1 1 20 20 MET HG2 H 1 2.315 0.01 . 1 . . . . . . . . . 6082 1 107 . 1 1 21 21 LEU H H 1 8.288 0.01 . 1 . . . . . . . . . 6082 1 108 . 1 1 21 21 LEU HA H 1 3.973 0.01 . 1 . . . . . . . . . 6082 1 109 . 1 1 21 21 LEU HB2 H 1 2.180 0.01 . 2 . . . . . . . . . 6082 1 110 . 1 1 21 21 LEU HB3 H 1 1.372 0.01 . 2 . . . . . . . . . 6082 1 111 . 1 1 21 21 LEU HG H 1 1.450 0.01 . 1 . . . . . . . . . 6082 1 112 . 1 1 21 21 LEU HD11 H 1 0.844 0.01 . 2 . . . . . . . . . 6082 1 113 . 1 1 21 21 LEU HD12 H 1 0.844 0.01 . 2 . . . . . . . . . 6082 1 114 . 1 1 21 21 LEU HD13 H 1 0.844 0.01 . 2 . . . . . . . . . 6082 1 115 . 1 1 21 21 LEU HD21 H 1 0.772 0.01 . 2 . . . . . . . . . 6082 1 116 . 1 1 21 21 LEU HD22 H 1 0.772 0.01 . 2 . . . . . . . . . 6082 1 117 . 1 1 21 21 LEU HD23 H 1 0.772 0.01 . 2 . . . . . . . . . 6082 1 118 . 1 1 22 22 ASN H H 1 7.873 0.01 . 1 . . . . . . . . . 6082 1 119 . 1 1 22 22 ASN HA H 1 4.371 0.01 . 1 . . . . . . . . . 6082 1 120 . 1 1 22 22 ASN HB2 H 1 3.128 0.01 . 2 . . . . . . . . . 6082 1 121 . 1 1 22 22 ASN HB3 H 1 3.046 0.01 . 2 . . . . . . . . . 6082 1 122 . 1 1 22 22 ASN HD21 H 1 7.388 0.01 . 2 . . . . . . . . . 6082 1 123 . 1 1 22 22 ASN HD22 H 1 6.362 0.01 . 2 . . . . . . . . . 6082 1 124 . 1 1 23 23 HIS H H 1 9.588 0.01 . 1 . . . . . . . . . 6082 1 125 . 1 1 23 23 HIS HA H 1 4.604 0.01 . 1 . . . . . . . . . 6082 1 126 . 1 1 23 23 HIS HB2 H 1 3.142 0.01 . 2 . . . . . . . . . 6082 1 127 . 1 1 23 23 HIS HB3 H 1 3.073 0.01 . 2 . . . . . . . . . 6082 1 128 . 1 1 23 23 HIS HD2 H 1 7.262 0.01 . 2 . . . . . . . . . 6082 1 129 . 1 1 23 23 HIS HE1 H 1 8.734 0.01 . 2 . . . . . . . . . 6082 1 130 . 1 1 24 24 CYS H H 1 8.088 0.01 . 1 . . . . . . . . . 6082 1 131 . 1 1 24 24 CYS HA H 1 4.758 0.01 . 1 . . . . . . . . . 6082 1 132 . 1 1 24 24 CYS HB2 H 1 3.395 0.01 . 2 . . . . . . . . . 6082 1 133 . 1 1 24 24 CYS HB3 H 1 2.846 0.01 . 2 . . . . . . . . . 6082 1 134 . 1 1 25 25 GLY H H 1 7.858 0.01 . 1 . . . . . . . . . 6082 1 135 . 1 1 25 25 GLY HA2 H 1 4.600 0.01 . 1 . . . . . . . . . 6082 1 136 . 1 1 26 26 MET H H 1 7.662 0.01 . 1 . . . . . . . . . 6082 1 137 . 1 1 26 26 MET HA H 1 4.128 0.01 . 1 . . . . . . . . . 6082 1 138 . 1 1 26 26 MET HB2 H 1 2.127 0.01 . 2 . . . . . . . . . 6082 1 139 . 1 1 26 26 MET HB3 H 1 1.751 0.01 . 2 . . . . . . . . . 6082 1 140 . 1 1 26 26 MET HG2 H 1 2.659 0.01 . 2 . . . . . . . . . 6082 1 141 . 1 1 27 27 TYR H H 1 7.848 0.01 . 1 . . . . . . . . . 6082 1 142 . 1 1 27 27 TYR HA H 1 4.358 0.01 . 1 . . . . . . . . . 6082 1 143 . 1 1 27 27 TYR HB2 H 1 3.315 0.01 . 2 . . . . . . . . . 6082 1 144 . 1 1 27 27 TYR HB3 H 1 3.158 0.01 . 2 . . . . . . . . . 6082 1 145 . 1 1 27 27 TYR HE1 H 1 6.747 0.01 . 1 . . . . . . . . . 6082 1 146 . 1 1 27 27 TYR HD1 H 1 7.033 0.01 . 1 . . . . . . . . . 6082 1 147 . 1 1 28 28 LEU H H 1 7.996 0.01 . 1 . . . . . . . . . 6082 1 148 . 1 1 28 28 LEU HA H 1 3.665 0.01 . 1 . . . . . . . . . 6082 1 149 . 1 1 28 28 LEU HB2 H 1 2.004 0.01 . 2 . . . . . . . . . 6082 1 150 . 1 1 28 28 LEU HB3 H 1 1.225 0.01 . 2 . . . . . . . . . 6082 1 151 . 1 1 28 28 LEU HG H 1 2.053 0.01 . 1 . . . . . . . . . 6082 1 152 . 1 1 28 28 LEU HD11 H 1 0.768 0.01 . 2 . . . . . . . . . 6082 1 153 . 1 1 28 28 LEU HD12 H 1 0.768 0.01 . 2 . . . . . . . . . 6082 1 154 . 1 1 28 28 LEU HD13 H 1 0.768 0.01 . 2 . . . . . . . . . 6082 1 155 . 1 1 28 28 LEU HD21 H 1 0.612 0.01 . 2 . . . . . . . . . 6082 1 156 . 1 1 28 28 LEU HD22 H 1 0.612 0.01 . 2 . . . . . . . . . 6082 1 157 . 1 1 28 28 LEU HD23 H 1 0.612 0.01 . 2 . . . . . . . . . 6082 1 158 . 1 1 29 29 MET H H 1 8.111 0.01 . 1 . . . . . . . . . 6082 1 159 . 1 1 29 29 MET HA H 1 4.178 0.01 . 1 . . . . . . . . . 6082 1 160 . 1 1 29 29 MET HB2 H 1 2.275 0.01 . 2 . . . . . . . . . 6082 1 161 . 1 1 29 29 MET HB3 H 1 2.169 0.01 . 2 . . . . . . . . . 6082 1 162 . 1 1 29 29 MET HG2 H 1 2.639 0.01 . 2 . . . . . . . . . 6082 1 163 . 1 1 30 30 LYS H H 1 8.080 0.01 . 1 . . . . . . . . . 6082 1 164 . 1 1 30 30 LYS HA H 1 4.122 0.01 . 1 . . . . . . . . . 6082 1 165 . 1 1 30 30 LYS HB2 H 1 1.930 0.01 . 2 . . . . . . . . . 6082 1 166 . 1 1 30 30 LYS HB3 H 1 1.938 0.01 . 2 . . . . . . . . . 6082 1 167 . 1 1 30 30 LYS HG2 H 1 1.514 0.01 . 1 . . . . . . . . . 6082 1 168 . 1 1 30 30 LYS HD2 H 1 1.697 0.01 . 1 . . . . . . . . . 6082 1 169 . 1 1 30 30 LYS HE2 H 1 2.990 0.01 . 1 . . . . . . . . . 6082 1 170 . 1 1 31 31 ASN H H 1 7.769 0.01 . 1 . . . . . . . . . 6082 1 171 . 1 1 31 31 ASN HA H 1 4.545 0.01 . 1 . . . . . . . . . 6082 1 172 . 1 1 31 31 ASN HB2 H 1 2.648 0.01 . 2 . . . . . . . . . 6082 1 173 . 1 1 31 31 ASN HB3 H 1 2.443 0.01 . 2 . . . . . . . . . 6082 1 174 . 1 1 31 31 ASN HD21 H 1 7.005 0.01 . 2 . . . . . . . . . 6082 1 175 . 1 1 31 31 ASN HD22 H 1 6.358 0.01 . 2 . . . . . . . . . 6082 1 176 . 1 1 32 32 LEU H H 1 7.593 0.01 . 1 . . . . . . . . . 6082 1 177 . 1 1 32 32 LEU HA H 1 4.211 0.01 . 1 . . . . . . . . . 6082 1 178 . 1 1 32 32 LEU HB2 H 1 1.740 0.01 . 2 . . . . . . . . . 6082 1 179 . 1 1 32 32 LEU HB3 H 1 1.718 0.01 . 2 . . . . . . . . . 6082 1 180 . 1 1 32 32 LEU HG H 1 1.762 0.01 . 1 . . . . . . . . . 6082 1 181 . 1 1 32 32 LEU HD11 H 1 0.963 0.01 . 2 . . . . . . . . . 6082 1 182 . 1 1 32 32 LEU HD12 H 1 0.963 0.01 . 2 . . . . . . . . . 6082 1 183 . 1 1 32 32 LEU HD13 H 1 0.963 0.01 . 2 . . . . . . . . . 6082 1 184 . 1 1 32 32 LEU HD21 H 1 0.884 0.01 . 2 . . . . . . . . . 6082 1 185 . 1 1 32 32 LEU HD22 H 1 0.884 0.01 . 2 . . . . . . . . . 6082 1 186 . 1 1 32 32 LEU HD23 H 1 0.884 0.01 . 2 . . . . . . . . . 6082 1 187 . 1 1 33 33 GLY H H 1 8.078 0.01 . 1 . . . . . . . . . 6082 1 188 . 1 1 33 33 GLY HA2 H 1 3.967 0.01 . 1 . . . . . . . . . 6082 1 189 . 1 1 34 34 GLU H H 1 7.952 0.01 . 1 . . . . . . . . . 6082 1 190 . 1 1 34 34 GLU HA H 1 4.360 0.01 . 1 . . . . . . . . . 6082 1 191 . 1 1 34 34 GLU HB3 H 1 2.036 0.01 . 2 . . . . . . . . . 6082 1 192 . 1 1 34 34 GLU HB2 H 1 2.138 0.01 . 2 . . . . . . . . . 6082 1 193 . 1 1 34 34 GLU HG3 H 1 2.500 0.01 . 2 . . . . . . . . . 6082 1 194 . 1 1 34 34 GLU HG2 H 1 2.489 0.01 . 2 . . . . . . . . . 6082 1 195 . 1 1 35 35 ARG H H 1 8.283 0.01 . 1 . . . . . . . . . 6082 1 196 . 1 1 35 35 ARG HA H 1 4.319 0.01 . 1 . . . . . . . . . 6082 1 197 . 1 1 35 35 ARG HB3 H 1 1.851 0.01 . 2 . . . . . . . . . 6082 1 198 . 1 1 35 35 ARG HB2 H 1 1.832 0.01 . 2 . . . . . . . . . 6082 1 199 . 1 1 35 35 ARG HG3 H 1 1.694 0.01 . 2 . . . . . . . . . 6082 1 200 . 1 1 35 35 ARG HG2 H 1 1.691 0.01 . 1 . . . . . . . . . 6082 1 201 . 1 1 35 35 ARG HD2 H 1 3.225 0.01 . 1 . . . . . . . . . 6082 1 202 . 1 1 35 35 ARG HE H 1 7.187 0.01 . 1 . . . . . . . . . 6082 1 203 . 1 1 36 36 SER H H 1 8.131 0.01 . 1 . . . . . . . . . 6082 1 204 . 1 1 36 36 SER HA H 1 4.437 0.01 . 1 . . . . . . . . . 6082 1 205 . 1 1 36 36 SER HB2 H 1 3.927 0.01 . 2 . . . . . . . . . 6082 1 206 . 1 1 36 36 SER HB3 H 1 3.878 0.01 . 2 . . . . . . . . . 6082 1 207 . 1 1 37 37 GLN H H 1 7.956 0.01 . 1 . . . . . . . . . 6082 1 208 . 1 1 37 37 GLN HA H 1 4.385 0.01 . 1 . . . . . . . . . 6082 1 209 . 1 1 38 38 VAL H H 1 8.004 0.01 . 1 . . . . . . . . . 6082 1 210 . 1 1 38 38 VAL HA H 1 4.180 0.01 . 1 . . . . . . . . . 6082 1 211 . 1 1 38 38 VAL HB H 1 2.108 0.01 . 1 . . . . . . . . . 6082 1 212 . 1 1 38 38 VAL HG11 H 1 0.935 0.01 . 1 . . . . . . . . . 6082 1 213 . 1 1 38 38 VAL HG12 H 1 0.935 0.01 . 1 . . . . . . . . . 6082 1 214 . 1 1 38 38 VAL HG13 H 1 0.935 0.01 . 1 . . . . . . . . . 6082 1 215 . 1 1 39 39 SER H H 1 8.222 0.01 . 1 . . . . . . . . . 6082 1 216 . 1 1 39 39 SER HA H 1 4.792 0.01 . 1 . . . . . . . . . 6082 1 217 . 1 1 39 39 SER HB2 H 1 3.985 0.01 . 2 . . . . . . . . . 6082 1 218 . 1 1 39 39 SER HB3 H 1 3.875 0.01 . 2 . . . . . . . . . 6082 1 219 . 1 1 40 40 PRO HA H 1 4.385 0.01 . 1 . . . . . . . . . 6082 1 220 . 1 1 40 40 PRO HB2 H 1 2.360 0.01 . 2 . . . . . . . . . 6082 1 221 . 1 1 40 40 PRO HG2 H 1 2.054 0.01 . 2 . . . . . . . . . 6082 1 222 . 1 1 40 40 PRO HG3 H 1 1.978 0.01 . 2 . . . . . . . . . 6082 1 223 . 1 1 40 40 PRO HD2 H 1 3.799 0.01 . 2 . . . . . . . . . 6082 1 224 . 1 1 40 40 PRO HD3 H 1 3.877 0.01 . 2 . . . . . . . . . 6082 1 225 . 1 1 41 41 ARG H H 1 8.184 0.01 . 1 . . . . . . . . . 6082 1 226 . 1 1 41 41 ARG HA H 1 4.242 0.01 . 1 . . . . . . . . . 6082 1 227 . 1 1 41 41 ARG HB3 H 1 1.795 0.01 . 2 . . . . . . . . . 6082 1 228 . 1 1 41 41 ARG HB2 H 1 1.874 0.01 . 2 . . . . . . . . . 6082 1 229 . 1 1 41 41 ARG HG2 H 1 1.677 0.01 . 2 . . . . . . . . . 6082 1 230 . 1 1 41 41 ARG HD2 H 1 3.220 0.01 . 1 . . . . . . . . . 6082 1 231 . 1 1 41 41 ARG HE H 1 7.188 0.01 . 1 . . . . . . . . . 6082 1 232 . 1 1 42 42 MET H H 1 7.932 0.01 . 1 . . . . . . . . . 6082 1 233 . 1 1 42 42 MET HA H 1 4.437 0.01 . 1 . . . . . . . . . 6082 1 234 . 1 1 42 42 MET HB2 H 1 2.065 0.01 . 2 . . . . . . . . . 6082 1 235 . 1 1 42 42 MET HG2 H 1 2.601 0.01 . 2 . . . . . . . . . 6082 1 236 . 1 1 42 42 MET HG3 H 1 2.532 0.01 . 2 . . . . . . . . . 6082 1 237 . 1 1 43 43 ARG H H 1 8.093 0.01 . 1 . . . . . . . . . 6082 1 238 . 1 1 43 43 ARG HA H 1 4.284 0.01 . 1 . . . . . . . . . 6082 1 239 . 1 1 43 43 ARG HB2 H 1 1.911 0.01 . 2 . . . . . . . . . 6082 1 240 . 1 1 43 43 ARG HG2 H 1 1.673 0.01 . 1 . . . . . . . . . 6082 1 241 . 1 1 43 43 ARG HD2 H 1 3.225 0.01 . 1 . . . . . . . . . 6082 1 242 . 1 1 45 45 GLU H H 1 7.581 0.01 . 1 . . . . . . . . . 6082 1 243 . 1 1 45 45 GLU HA H 1 4.167 0.01 . 1 . . . . . . . . . 6082 1 244 . 1 1 45 45 GLU HB2 H 1 2.192 0.01 . 2 . . . . . . . . . 6082 1 245 . 1 1 45 45 GLU HG2 H 1 2.386 0.01 . 2 . . . . . . . . . 6082 1 246 . 1 1 46 46 ASP H H 1 8.289 0.01 . 1 . . . . . . . . . 6082 1 247 . 1 1 46 46 ASP HA H 1 4.633 0.01 . 1 . . . . . . . . . 6082 1 248 . 1 1 46 46 ASP HB2 H 1 2.855 0.01 . 2 . . . . . . . . . 6082 1 249 . 1 1 46 46 ASP HB3 H 1 2.798 0.01 . 2 . . . . . . . . . 6082 1 250 . 1 1 47 47 HIS H H 1 8.317 0.01 . 1 . . . . . . . . . 6082 1 251 . 1 1 47 47 HIS HA H 1 4.490 0.01 . 1 . . . . . . . . . 6082 1 252 . 1 1 47 47 HIS HB2 H 1 3.592 0.01 . 2 . . . . . . . . . 6082 1 253 . 1 1 47 47 HIS HB3 H 1 3.314 0.01 . 2 . . . . . . . . . 6082 1 254 . 1 1 47 47 HIS HD2 H 1 7.327 0.01 . 2 . . . . . . . . . 6082 1 255 . 1 1 47 47 HIS HE1 H 1 8.599 0.01 . 2 . . . . . . . . . 6082 1 256 . 1 1 48 48 LYS H H 1 8.347 0.01 . 1 . . . . . . . . . 6082 1 257 . 1 1 48 48 LYS HA H 1 2.972 0.01 . 1 . . . . . . . . . 6082 1 258 . 1 1 48 48 LYS HB2 H 1 1.577 0.01 . 2 . . . . . . . . . 6082 1 259 . 1 1 48 48 LYS HB3 H 1 1.037 0.01 . 2 . . . . . . . . . 6082 1 260 . 1 1 48 48 LYS HG2 H 1 0.692 0.01 . 1 . . . . . . . . . 6082 1 261 . 1 1 48 48 LYS HD2 H 1 1.491 0.01 . 1 . . . . . . . . . 6082 1 262 . 1 1 48 48 LYS HE2 H 1 2.810 0.01 . 1 . . . . . . . . . 6082 1 263 . 1 1 49 49 GLN H H 1 8.068 0.01 . 1 . . . . . . . . . 6082 1 264 . 1 1 49 49 GLN HA H 1 3.809 0.01 . 1 . . . . . . . . . 6082 1 265 . 1 1 49 49 GLN HB2 H 1 2.024 0.01 . 2 . . . . . . . . . 6082 1 266 . 1 1 49 49 GLN HB3 H 1 1.969 0.01 . 2 . . . . . . . . . 6082 1 267 . 1 1 49 49 GLN HG2 H 1 2.365 0.01 . 1 . . . . . . . . . 6082 1 268 . 1 1 49 49 GLN HG3 H 1 2.365 0.01 . 1 . . . . . . . . . 6082 1 269 . 1 1 49 49 GLN HE21 H 1 7.010 0.01 . 2 . . . . . . . . . 6082 1 270 . 1 1 49 49 GLN HE22 H 1 6.371 0.01 . 2 . . . . . . . . . 6082 1 271 . 1 1 50 50 LEU H H 1 7.702 0.01 . 1 . . . . . . . . . 6082 1 272 . 1 1 50 50 LEU HA H 1 3.973 0.01 . 1 . . . . . . . . . 6082 1 273 . 1 1 50 50 LEU HB2 H 1 1.442 0.01 . 2 . . . . . . . . . 6082 1 274 . 1 1 50 50 LEU HB3 H 1 0.745 0.01 . 2 . . . . . . . . . 6082 1 275 . 1 1 50 50 LEU HG H 1 1.538 0.01 . 1 . . . . . . . . . 6082 1 276 . 1 1 50 50 LEU HD11 H 1 0.615 0.01 . 2 . . . . . . . . . 6082 1 277 . 1 1 50 50 LEU HD12 H 1 0.615 0.01 . 2 . . . . . . . . . 6082 1 278 . 1 1 50 50 LEU HD13 H 1 0.615 0.01 . 2 . . . . . . . . . 6082 1 279 . 1 1 50 50 LEU HD21 H 1 0.430 0.01 . 2 . . . . . . . . . 6082 1 280 . 1 1 50 50 LEU HD22 H 1 0.430 0.01 . 2 . . . . . . . . . 6082 1 281 . 1 1 50 50 LEU HD23 H 1 0.430 0.01 . 2 . . . . . . . . . 6082 1 282 . 1 1 51 51 CYS H H 1 7.929 0.01 . 1 . . . . . . . . . 6082 1 283 . 1 1 51 51 CYS HA H 1 4.574 0.01 . 1 . . . . . . . . . 6082 1 284 . 1 1 51 51 CYS HB2 H 1 3.028 0.01 . 2 . . . . . . . . . 6082 1 285 . 1 1 51 51 CYS HB3 H 1 2.914 0.01 . 2 . . . . . . . . . 6082 1 286 . 1 1 52 52 CYS H H 1 8.455 0.01 . 1 . . . . . . . . . 6082 1 287 . 1 1 52 52 CYS HA H 1 4.439 0.01 . 1 . . . . . . . . . 6082 1 288 . 1 1 52 52 CYS HB2 H 1 3.219 0.01 . 2 . . . . . . . . . 6082 1 289 . 1 1 52 52 CYS HB3 H 1 2.799 0.01 . 2 . . . . . . . . . 6082 1 290 . 1 1 53 53 MET H H 1 8.193 0.01 . 1 . . . . . . . . . 6082 1 291 . 1 1 53 53 MET HA H 1 4.105 0.01 . 1 . . . . . . . . . 6082 1 292 . 1 1 53 53 MET HB2 H 1 2.148 0.01 . 2 . . . . . . . . . 6082 1 293 . 1 1 53 53 MET HB3 H 1 2.037 0.01 . 2 . . . . . . . . . 6082 1 294 . 1 1 53 53 MET HG2 H 1 2.724 0.01 . 2 . . . . . . . . . 6082 1 295 . 1 1 53 53 MET HG3 H 1 2.591 0.01 . 2 . . . . . . . . . 6082 1 296 . 1 1 53 53 MET HE1 H 1 2.000 0.01 . 1 . . . . . . . . . 6082 1 297 . 1 1 53 53 MET HE2 H 1 2.000 0.01 . 1 . . . . . . . . . 6082 1 298 . 1 1 53 53 MET HE3 H 1 2.000 0.01 . 1 . . . . . . . . . 6082 1 299 . 1 1 54 54 GLN H H 1 7.589 0.01 . 1 . . . . . . . . . 6082 1 300 . 1 1 54 54 GLN HA H 1 4.175 0.01 . 1 . . . . . . . . . 6082 1 301 . 1 1 54 54 GLN HB2 H 1 2.587 0.01 . 2 . . . . . . . . . 6082 1 302 . 1 1 54 54 GLN HB3 H 1 2.163 0.01 . 2 . . . . . . . . . 6082 1 303 . 1 1 54 54 GLN HG2 H 1 2.842 0.01 . 2 . . . . . . . . . 6082 1 304 . 1 1 54 54 GLN HG3 H 1 2.399 0.01 . 2 . . . . . . . . . 6082 1 305 . 1 1 55 55 LEU H H 1 8.290 0.01 . 1 . . . . . . . . . 6082 1 306 . 1 1 55 55 LEU HA H 1 3.915 0.01 . 1 . . . . . . . . . 6082 1 307 . 1 1 55 55 LEU HB2 H 1 1.856 0.01 . 2 . . . . . . . . . 6082 1 308 . 1 1 55 55 LEU HB3 H 1 1.433 0.01 . 2 . . . . . . . . . 6082 1 309 . 1 1 55 55 LEU HG H 1 1.868 0.01 . 1 . . . . . . . . . 6082 1 310 . 1 1 55 55 LEU HD11 H 1 0.862 0.01 . 2 . . . . . . . . . 6082 1 311 . 1 1 55 55 LEU HD12 H 1 0.862 0.01 . 2 . . . . . . . . . 6082 1 312 . 1 1 55 55 LEU HD13 H 1 0.862 0.01 . 2 . . . . . . . . . 6082 1 313 . 1 1 55 55 LEU HD21 H 1 0.809 0.01 . 2 . . . . . . . . . 6082 1 314 . 1 1 55 55 LEU HD22 H 1 0.809 0.01 . 2 . . . . . . . . . 6082 1 315 . 1 1 55 55 LEU HD23 H 1 0.809 0.01 . 2 . . . . . . . . . 6082 1 316 . 1 1 56 56 LYS H H 1 7.718 0.01 . 1 . . . . . . . . . 6082 1 317 . 1 1 56 56 LYS HA H 1 4.040 0.01 . 1 . . . . . . . . . 6082 1 318 . 1 1 56 56 LYS HB3 H 1 1.596 0.01 . 2 . . . . . . . . . 6082 1 319 . 1 1 56 56 LYS HB2 H 1 1.942 0.01 . 1 . . . . . . . . . 6082 1 320 . 1 1 56 56 LYS HG2 H 1 1.517 0.01 . 1 . . . . . . . . . 6082 1 321 . 1 1 56 56 LYS HD2 H 1 1.678 0.01 . 1 . . . . . . . . . 6082 1 322 . 1 1 56 56 LYS HE2 H 1 2.985 0.01 . 1 . . . . . . . . . 6082 1 323 . 1 1 57 57 ASN H H 1 7.330 0.01 . 1 . . . . . . . . . 6082 1 324 . 1 1 57 57 ASN HA H 1 4.602 0.01 . 1 . . . . . . . . . 6082 1 325 . 1 1 57 57 ASN HB2 H 1 2.947 0.01 . 2 . . . . . . . . . 6082 1 326 . 1 1 57 57 ASN HB3 H 1 2.812 0.01 . 2 . . . . . . . . . 6082 1 327 . 1 1 57 57 ASN HD21 H 1 6.940 0.01 . 2 . . . . . . . . . 6082 1 328 . 1 1 57 57 ASN HD22 H 1 7.387 0.01 . 2 . . . . . . . . . 6082 1 329 . 1 1 58 58 LEU H H 1 7.660 0.01 . 1 . . . . . . . . . 6082 1 330 . 1 1 58 58 LEU HA H 1 4.511 0.01 . 1 . . . . . . . . . 6082 1 331 . 1 1 58 58 LEU HB2 H 1 1.919 0.01 . 2 . . . . . . . . . 6082 1 332 . 1 1 58 58 LEU HB3 H 1 1.296 0.01 . 2 . . . . . . . . . 6082 1 333 . 1 1 58 58 LEU HG H 1 1.793 0.01 . 1 . . . . . . . . . 6082 1 334 . 1 1 58 58 LEU HD11 H 1 0.899 0.01 . 2 . . . . . . . . . 6082 1 335 . 1 1 58 58 LEU HD12 H 1 0.899 0.01 . 2 . . . . . . . . . 6082 1 336 . 1 1 58 58 LEU HD13 H 1 0.899 0.01 . 2 . . . . . . . . . 6082 1 337 . 1 1 58 58 LEU HD21 H 1 0.674 0.01 . 2 . . . . . . . . . 6082 1 338 . 1 1 58 58 LEU HD22 H 1 0.674 0.01 . 2 . . . . . . . . . 6082 1 339 . 1 1 58 58 LEU HD23 H 1 0.674 0.01 . 2 . . . . . . . . . 6082 1 340 . 1 1 59 59 ASP H H 1 8.663 0.01 . 1 . . . . . . . . . 6082 1 341 . 1 1 59 59 ASP HA H 1 4.592 0.01 . 1 . . . . . . . . . 6082 1 342 . 1 1 59 59 ASP HB2 H 1 2.863 0.01 . 1 . . . . . . . . . 6082 1 343 . 1 1 60 60 GLU H H 1 8.966 0.01 . 1 . . . . . . . . . 6082 1 344 . 1 1 60 60 GLU HA H 1 4.118 0.01 . 1 . . . . . . . . . 6082 1 345 . 1 1 60 60 GLU HB3 H 1 2.202 0.01 . 2 . . . . . . . . . 6082 1 346 . 1 1 60 60 GLU HB2 H 1 2.245 0.01 . 2 . . . . . . . . . 6082 1 347 . 1 1 60 60 GLU HG3 H 1 2.572 0.01 . 2 . . . . . . . . . 6082 1 348 . 1 1 60 60 GLU HG2 H 1 2.715 0.01 . 2 . . . . . . . . . 6082 1 349 . 1 1 61 61 LYS H H 1 8.504 0.01 . 1 . . . . . . . . . 6082 1 350 . 1 1 61 61 LYS HA H 1 4.191 0.01 . 1 . . . . . . . . . 6082 1 351 . 1 1 61 61 LYS HB2 H 1 1.901 0.01 . 1 . . . . . . . . . 6082 1 352 . 1 1 61 61 LYS HG2 H 1 1.470 0.01 . 1 . . . . . . . . . 6082 1 353 . 1 1 61 61 LYS HD2 H 1 1.708 0.01 . 1 . . . . . . . . . 6082 1 354 . 1 1 61 61 LYS HE2 H 1 3.019 0.01 . 1 . . . . . . . . . 6082 1 355 . 1 1 62 62 CYS H H 1 8.120 0.01 . 1 . . . . . . . . . 6082 1 356 . 1 1 62 62 CYS HA H 1 5.014 0.01 . 1 . . . . . . . . . 6082 1 357 . 1 1 62 62 CYS HB2 H 1 3.074 0.01 . 2 . . . . . . . . . 6082 1 358 . 1 1 62 62 CYS HB3 H 1 2.883 0.01 . 2 . . . . . . . . . 6082 1 359 . 1 1 63 63 MET H H 1 7.680 0.01 . 1 . . . . . . . . . 6082 1 360 . 1 1 63 63 MET HA H 1 3.914 0.01 . 1 . . . . . . . . . 6082 1 361 . 1 1 63 63 MET HB2 H 1 2.274 0.01 . 2 . . . . . . . . . 6082 1 362 . 1 1 63 63 MET HB3 H 1 1.867 0.01 . 2 . . . . . . . . . 6082 1 363 . 1 1 63 63 MET HG2 H 1 2.682 0.01 . 2 . . . . . . . . . 6082 1 364 . 1 1 63 63 MET HG3 H 1 2.434 0.01 . 2 . . . . . . . . . 6082 1 365 . 1 1 63 63 MET HE1 H 1 2.123 0.01 . 1 . . . . . . . . . 6082 1 366 . 1 1 63 63 MET HE2 H 1 2.123 0.01 . 1 . . . . . . . . . 6082 1 367 . 1 1 63 63 MET HE3 H 1 2.123 0.01 . 1 . . . . . . . . . 6082 1 368 . 1 1 64 64 CYS H H 1 9.236 0.01 . 1 . . . . . . . . . 6082 1 369 . 1 1 64 64 CYS HA H 1 4.656 0.01 . 1 . . . . . . . . . 6082 1 370 . 1 1 64 64 CYS HB2 H 1 3.169 0.01 . 2 . . . . . . . . . 6082 1 371 . 1 1 64 64 CYS HB3 H 1 3.106 0.01 . 2 . . . . . . . . . 6082 1 372 . 1 1 65 65 PRO HA H 1 4.231 0.01 . 1 . . . . . . . . . 6082 1 373 . 1 1 65 65 PRO HB2 H 1 2.425 0.01 . 2 . . . . . . . . . 6082 1 374 . 1 1 65 65 PRO HB3 H 1 2.384 0.01 . 2 . . . . . . . . . 6082 1 375 . 1 1 65 65 PRO HG2 H 1 2.055 0.01 . 2 . . . . . . . . . 6082 1 376 . 1 1 65 65 PRO HG3 H 1 1.733 0.01 . 2 . . . . . . . . . 6082 1 377 . 1 1 65 65 PRO HD2 H 1 3.654 0.01 . 2 . . . . . . . . . 6082 1 378 . 1 1 65 65 PRO HD3 H 1 3.554 0.01 . 2 . . . . . . . . . 6082 1 379 . 1 1 66 66 ALA H H 1 8.167 0.01 . 1 . . . . . . . . . 6082 1 380 . 1 1 66 66 ALA HA H 1 4.278 0.01 . 1 . . . . . . . . . 6082 1 381 . 1 1 66 66 ALA HB1 H 1 1.474 0.01 . 1 . . . . . . . . . 6082 1 382 . 1 1 66 66 ALA HB2 H 1 1.474 0.01 . 1 . . . . . . . . . 6082 1 383 . 1 1 66 66 ALA HB3 H 1 1.474 0.01 . 1 . . . . . . . . . 6082 1 384 . 1 1 67 67 ILE H H 1 7.855 0.01 . 1 . . . . . . . . . 6082 1 385 . 1 1 67 67 ILE HA H 1 3.390 0.01 . 1 . . . . . . . . . 6082 1 386 . 1 1 67 67 ILE HB H 1 2.002 0.01 . 1 . . . . . . . . . 6082 1 387 . 1 1 67 67 ILE HG12 H 1 1.975 0.01 . 9 . . . . . . . . . 6082 1 388 . 1 1 67 67 ILE HG13 H 1 0.707 0.01 . 9 . . . . . . . . . 6082 1 389 . 1 1 67 67 ILE HD11 H 1 0.971 0.01 . 1 . . . . . . . . . 6082 1 390 . 1 1 67 67 ILE HD12 H 1 0.971 0.01 . 1 . . . . . . . . . 6082 1 391 . 1 1 67 67 ILE HD13 H 1 0.971 0.01 . 1 . . . . . . . . . 6082 1 392 . 1 1 67 67 ILE HG21 H 1 0.775 0.01 . 1 . . . . . . . . . 6082 1 393 . 1 1 67 67 ILE HG22 H 1 0.775 0.01 . 1 . . . . . . . . . 6082 1 394 . 1 1 67 67 ILE HG23 H 1 0.775 0.01 . 1 . . . . . . . . . 6082 1 395 . 1 1 68 68 MET H H 1 7.731 0.01 . 1 . . . . . . . . . 6082 1 396 . 1 1 68 68 MET HA H 1 4.159 0.01 . 1 . . . . . . . . . 6082 1 397 . 1 1 68 68 MET HB2 H 1 2.127 0.01 . 1 . . . . . . . . . 6082 1 398 . 1 1 68 68 MET HG2 H 1 2.723 0.01 . 2 . . . . . . . . . 6082 1 399 . 1 1 68 68 MET HG3 H 1 2.605 0.01 . 2 . . . . . . . . . 6082 1 400 . 1 1 69 69 MET H H 1 8.386 0.01 . 1 . . . . . . . . . 6082 1 401 . 1 1 69 69 MET HA H 1 4.073 0.01 . 1 . . . . . . . . . 6082 1 402 . 1 1 69 69 MET HB2 H 1 2.351 0.01 . 2 . . . . . . . . . 6082 1 403 . 1 1 69 69 MET HB3 H 1 2.044 0.01 . 2 . . . . . . . . . 6082 1 404 . 1 1 69 69 MET HG2 H 1 2.786 0.01 . 2 . . . . . . . . . 6082 1 405 . 1 1 69 69 MET HG3 H 1 2.618 0.01 . 2 . . . . . . . . . 6082 1 406 . 1 1 70 70 MET H H 1 8.440 0.01 . 1 . . . . . . . . . 6082 1 407 . 1 1 70 70 MET HA H 1 4.027 0.01 . 1 . . . . . . . . . 6082 1 408 . 1 1 70 70 MET HB2 H 1 2.434 0.01 . 2 . . . . . . . . . 6082 1 409 . 1 1 70 70 MET HB3 H 1 1.957 0.01 . 2 . . . . . . . . . 6082 1 410 . 1 1 70 70 MET HG2 H 1 2.662 0.01 . 2 . . . . . . . . . 6082 1 411 . 1 1 70 70 MET HG3 H 1 2.548 0.01 . 2 . . . . . . . . . 6082 1 412 . 1 1 70 70 MET HE1 H 1 1.552 0.01 . 1 . . . . . . . . . 6082 1 413 . 1 1 70 70 MET HE2 H 1 1.552 0.01 . 1 . . . . . . . . . 6082 1 414 . 1 1 70 70 MET HE3 H 1 1.552 0.01 . 1 . . . . . . . . . 6082 1 415 . 1 1 71 71 LEU H H 1 7.543 0.01 . 1 . . . . . . . . . 6082 1 416 . 1 1 71 71 LEU HA H 1 3.907 0.01 . 1 . . . . . . . . . 6082 1 417 . 1 1 71 71 LEU HB2 H 1 1.811 0.01 . 2 . . . . . . . . . 6082 1 418 . 1 1 71 71 LEU HB3 H 1 1.323 0.01 . 2 . . . . . . . . . 6082 1 419 . 1 1 71 71 LEU HG H 1 1.711 0.01 . 1 . . . . . . . . . 6082 1 420 . 1 1 71 71 LEU HD11 H 1 0.651 0.01 . 2 . . . . . . . . . 6082 1 421 . 1 1 71 71 LEU HD12 H 1 0.651 0.01 . 2 . . . . . . . . . 6082 1 422 . 1 1 71 71 LEU HD13 H 1 0.651 0.01 . 2 . . . . . . . . . 6082 1 423 . 1 1 71 71 LEU HD21 H 1 0.282 0.01 . 2 . . . . . . . . . 6082 1 424 . 1 1 71 71 LEU HD22 H 1 0.282 0.01 . 2 . . . . . . . . . 6082 1 425 . 1 1 71 71 LEU HD23 H 1 0.282 0.01 . 2 . . . . . . . . . 6082 1 426 . 1 1 72 72 ASN H H 1 7.316 0.01 . 1 . . . . . . . . . 6082 1 427 . 1 1 72 72 ASN HA H 1 4.868 0.01 . 1 . . . . . . . . . 6082 1 428 . 1 1 72 72 ASN HB2 H 1 2.989 0.01 . 2 . . . . . . . . . 6082 1 429 . 1 1 72 72 ASN HB3 H 1 2.714 0.01 . 2 . . . . . . . . . 6082 1 430 . 1 1 72 72 ASN HD21 H 1 6.762 0.01 . 2 . . . . . . . . . 6082 1 431 . 1 1 72 72 ASN HD22 H 1 7.460 0.01 . 2 . . . . . . . . . 6082 1 432 . 1 1 73 73 GLU H H 1 7.891 0.01 . 1 . . . . . . . . . 6082 1 433 . 1 1 73 73 GLU HA H 1 4.579 0.01 . 1 . . . . . . . . . 6082 1 434 . 1 1 73 73 GLU HB3 H 1 2.403 0.01 . 2 . . . . . . . . . 6082 1 435 . 1 1 73 73 GLU HB2 H 1 2.454 0.01 . 2 . . . . . . . . . 6082 1 436 . 1 1 73 73 GLU HG3 H 1 2.804 0.01 . 2 . . . . . . . . . 6082 1 437 . 1 1 73 73 GLU HG2 H 1 3.126 0.01 . 2 . . . . . . . . . 6082 1 438 . 1 1 74 74 PRO HA H 1 4.230 0.01 . 1 . . . . . . . . . 6082 1 439 . 1 1 74 74 PRO HB2 H 1 2.399 0.01 . 2 . . . . . . . . . 6082 1 440 . 1 1 74 74 PRO HG2 H 1 2.200 0.01 . 2 . . . . . . . . . 6082 1 441 . 1 1 74 74 PRO HG3 H 1 2.075 0.01 . 2 . . . . . . . . . 6082 1 442 . 1 1 74 74 PRO HD2 H 1 3.979 0.01 . 2 . . . . . . . . . 6082 1 443 . 1 1 74 74 PRO HD3 H 1 3.875 0.01 . 2 . . . . . . . . . 6082 1 444 . 1 1 75 75 MET H H 1 8.121 0.01 . 1 . . . . . . . . . 6082 1 445 . 1 1 75 75 MET HA H 1 3.994 0.01 . 1 . . . . . . . . . 6082 1 446 . 1 1 75 75 MET HB2 H 1 1.538 0.01 . 2 . . . . . . . . . 6082 1 447 . 1 1 75 75 MET HB3 H 1 1.315 0.01 . 2 . . . . . . . . . 6082 1 448 . 1 1 75 75 MET HG2 H 1 1.948 0.01 . 2 . . . . . . . . . 6082 1 449 . 1 1 75 75 MET HG3 H 1 1.642 0.01 . 2 . . . . . . . . . 6082 1 450 . 1 1 76 76 TRP H H 1 7.450 0.01 . 1 . . . . . . . . . 6082 1 451 . 1 1 76 76 TRP HA H 1 5.092 0.01 . 1 . . . . . . . . . 6082 1 452 . 1 1 76 76 TRP HB2 H 1 3.487 0.01 . 2 . . . . . . . . . 6082 1 453 . 1 1 76 76 TRP HB3 H 1 3.201 0.01 . 2 . . . . . . . . . 6082 1 454 . 1 1 76 76 TRP HD1 H 1 7.579 0.01 . 1 . . . . . . . . . 6082 1 455 . 1 1 76 76 TRP HE1 H 1 10.068 0.01 . 2 . . . . . . . . . 6082 1 456 . 1 1 76 76 TRP HZ2 H 1 7.512 0.01 . 2 . . . . . . . . . 6082 1 457 . 1 1 76 76 TRP HH2 H 1 7.029 0.01 . 1 . . . . . . . . . 6082 1 458 . 1 1 76 76 TRP HZ3 H 1 6.929 0.01 . 2 . . . . . . . . . 6082 1 459 . 1 1 76 76 TRP HE3 H 1 7.514 0.01 . 2 . . . . . . . . . 6082 1 460 . 1 1 77 77 ILE H H 1 7.658 0.01 . 1 . . . . . . . . . 6082 1 461 . 1 1 77 77 ILE HA H 1 4.250 0.01 . 1 . . . . . . . . . 6082 1 462 . 1 1 77 77 ILE HB H 1 1.849 0.01 . 1 . . . . . . . . . 6082 1 463 . 1 1 77 77 ILE HG12 H 1 1.643 0.01 . 9 . . . . . . . . . 6082 1 464 . 1 1 77 77 ILE HG13 H 1 1.296 0.01 . 9 . . . . . . . . . 6082 1 465 . 1 1 77 77 ILE HD11 H 1 0.949 0.01 . 1 . . . . . . . . . 6082 1 466 . 1 1 77 77 ILE HD12 H 1 0.949 0.01 . 1 . . . . . . . . . 6082 1 467 . 1 1 77 77 ILE HD13 H 1 0.949 0.01 . 1 . . . . . . . . . 6082 1 468 . 1 1 77 77 ILE HG21 H 1 0.986 0.01 . 1 . . . . . . . . . 6082 1 469 . 1 1 77 77 ILE HG22 H 1 0.986 0.01 . 1 . . . . . . . . . 6082 1 470 . 1 1 77 77 ILE HG23 H 1 0.986 0.01 . 1 . . . . . . . . . 6082 1 471 . 1 1 78 78 ARG H H 1 8.441 0.01 . 1 . . . . . . . . . 6082 1 472 . 1 1 78 78 ARG HA H 1 4.270 0.01 . 1 . . . . . . . . . 6082 1 473 . 1 1 78 78 ARG HB3 H 1 1.862 0.01 . 2 . . . . . . . . . 6082 1 474 . 1 1 78 78 ARG HB2 H 1 1.901 0.01 . 2 . . . . . . . . . 6082 1 475 . 1 1 78 78 ARG HG3 H 1 1.671 0.01 . 2 . . . . . . . . . 6082 1 476 . 1 1 78 78 ARG HG2 H 1 1.735 0.01 . 2 . . . . . . . . . 6082 1 477 . 1 1 78 78 ARG HD2 H 1 3.222 0.01 . 1 . . . . . . . . . 6082 1 478 . 1 1 78 78 ARG HE H 1 7.223 0.01 . 1 . . . . . . . . . 6082 1 479 . 1 1 79 79 MET H H 1 8.012 0.01 . 1 . . . . . . . . . 6082 1 480 . 1 1 79 79 MET HA H 1 4.922 0.01 . 1 . . . . . . . . . 6082 1 481 . 1 1 79 79 MET HB2 H 1 2.250 0.01 . 2 . . . . . . . . . 6082 1 482 . 1 1 79 79 MET HB3 H 1 2.165 0.01 . 2 . . . . . . . . . 6082 1 483 . 1 1 79 79 MET HG2 H 1 2.939 0.01 . 2 . . . . . . . . . 6082 1 484 . 1 1 79 79 MET HG3 H 1 2.469 0.01 . 2 . . . . . . . . . 6082 1 485 . 1 1 79 79 MET HE1 H 1 2.032 0.01 . 1 . . . . . . . . . 6082 1 486 . 1 1 79 79 MET HE2 H 1 2.032 0.01 . 1 . . . . . . . . . 6082 1 487 . 1 1 79 79 MET HE3 H 1 2.032 0.01 . 1 . . . . . . . . . 6082 1 488 . 1 1 80 80 ARG H H 1 7.791 0.01 . 1 . . . . . . . . . 6082 1 489 . 1 1 80 80 ARG HA H 1 3.903 0.01 . 1 . . . . . . . . . 6082 1 490 . 1 1 80 80 ARG HB3 H 1 2.020 0.01 . 2 . . . . . . . . . 6082 1 491 . 1 1 80 80 ARG HB2 H 1 2.172 0.01 . 2 . . . . . . . . . 6082 1 492 . 1 1 80 80 ARG HG2 H 1 1.621 0.01 . 1 . . . . . . . . . 6082 1 493 . 1 1 80 80 ARG HD2 H 1 3.219 0.01 . 1 . . . . . . . . . 6082 1 494 . 1 1 80 80 ARG HE H 1 7.004 0.01 . 1 . . . . . . . . . 6082 1 495 . 1 1 81 81 ASP H H 1 8.668 0.01 . 1 . . . . . . . . . 6082 1 496 . 1 1 81 81 ASP HA H 1 4.466 0.01 . 1 . . . . . . . . . 6082 1 497 . 1 1 81 81 ASP HB2 H 1 2.911 0.01 . 2 . . . . . . . . . 6082 1 498 . 1 1 81 81 ASP HB3 H 1 2.851 0.01 . 2 . . . . . . . . . 6082 1 499 . 1 1 82 82 GLN H H 1 8.108 0.01 . 1 . . . . . . . . . 6082 1 500 . 1 1 82 82 GLN HA H 1 4.335 0.01 . 1 . . . . . . . . . 6082 1 501 . 1 1 82 82 GLN HB2 H 1 2.230 0.01 . 1 . . . . . . . . . 6082 1 502 . 1 1 82 82 GLN HG2 H 1 2.482 0.01 . 1 . . . . . . . . . 6082 1 503 . 1 1 82 82 GLN HE21 H 1 7.543 0.01 . 2 . . . . . . . . . 6082 1 504 . 1 1 82 82 GLN HE22 H 1 6.821 0.01 . 2 . . . . . . . . . 6082 1 505 . 1 1 83 83 VAL H H 1 7.600 0.01 . 1 . . . . . . . . . 6082 1 506 . 1 1 83 83 VAL HA H 1 4.732 0.01 . 1 . . . . . . . . . 6082 1 507 . 1 1 83 83 VAL HB H 1 2.425 0.01 . 1 . . . . . . . . . 6082 1 508 . 1 1 83 83 VAL HG21 H 1 0.853 0.01 . 2 . . . . . . . . . 6082 1 509 . 1 1 83 83 VAL HG22 H 1 0.853 0.01 . 2 . . . . . . . . . 6082 1 510 . 1 1 83 83 VAL HG23 H 1 0.853 0.01 . 2 . . . . . . . . . 6082 1 511 . 1 1 83 83 VAL HG11 H 1 0.938 0.01 . 2 . . . . . . . . . 6082 1 512 . 1 1 83 83 VAL HG12 H 1 0.938 0.01 . 2 . . . . . . . . . 6082 1 513 . 1 1 83 83 VAL HG13 H 1 0.938 0.01 . 2 . . . . . . . . . 6082 1 514 . 1 1 84 84 MET H H 1 7.495 0.01 . 1 . . . . . . . . . 6082 1 515 . 1 1 84 84 MET HA H 1 4.007 0.01 . 1 . . . . . . . . . 6082 1 516 . 1 1 84 84 MET HB2 H 1 2.294 0.01 . 2 . . . . . . . . . 6082 1 517 . 1 1 84 84 MET HB3 H 1 1.992 0.01 . 2 . . . . . . . . . 6082 1 518 . 1 1 84 84 MET HG2 H 1 2.622 0.01 . 2 . . . . . . . . . 6082 1 519 . 1 1 84 84 MET HG3 H 1 2.281 0.01 . 2 . . . . . . . . . 6082 1 520 . 1 1 84 84 MET HE1 H 1 2.000 0.01 . 1 . . . . . . . . . 6082 1 521 . 1 1 84 84 MET HE2 H 1 2.000 0.01 . 1 . . . . . . . . . 6082 1 522 . 1 1 84 84 MET HE3 H 1 2.000 0.01 . 1 . . . . . . . . . 6082 1 523 . 1 1 85 85 SER H H 1 8.589 0.01 . 1 . . . . . . . . . 6082 1 524 . 1 1 85 85 SER HA H 1 4.092 0.01 . 1 . . . . . . . . . 6082 1 525 . 1 1 85 85 SER HB2 H 1 3.915 0.01 . 1 . . . . . . . . . 6082 1 526 . 1 1 86 86 MET H H 1 7.932 0.01 . 1 . . . . . . . . . 6082 1 527 . 1 1 86 86 MET HA H 1 4.240 0.01 . 1 . . . . . . . . . 6082 1 528 . 1 1 86 86 MET HB2 H 1 2.122 0.01 . 2 . . . . . . . . . 6082 1 529 . 1 1 86 86 MET HB3 H 1 1.936 0.01 . 2 . . . . . . . . . 6082 1 530 . 1 1 86 86 MET HG2 H 1 2.662 0.01 . 2 . . . . . . . . . 6082 1 531 . 1 1 86 86 MET HG3 H 1 2.454 0.01 . 2 . . . . . . . . . 6082 1 532 . 1 1 87 87 ALA H H 1 8.906 0.01 . 1 . . . . . . . . . 6082 1 533 . 1 1 87 87 ALA HA H 1 3.938 0.01 . 1 . . . . . . . . . 6082 1 534 . 1 1 87 87 ALA HB1 H 1 1.329 0.01 . 1 . . . . . . . . . 6082 1 535 . 1 1 87 87 ALA HB2 H 1 1.329 0.01 . 1 . . . . . . . . . 6082 1 536 . 1 1 87 87 ALA HB3 H 1 1.329 0.01 . 1 . . . . . . . . . 6082 1 537 . 1 1 88 88 HIS H H 1 8.352 0.01 . 1 . . . . . . . . . 6082 1 538 . 1 1 88 88 HIS HA H 1 4.238 0.01 . 1 . . . . . . . . . 6082 1 539 . 1 1 88 88 HIS HB2 H 1 3.570 0.01 . 2 . . . . . . . . . 6082 1 540 . 1 1 88 88 HIS HB3 H 1 3.325 0.01 . 2 . . . . . . . . . 6082 1 541 . 1 1 88 88 HIS HD2 H 1 7.396 0.01 . 2 . . . . . . . . . 6082 1 542 . 1 1 88 88 HIS HE1 H 1 8.691 0.01 . 2 . . . . . . . . . 6082 1 543 . 1 1 89 89 ASN H H 1 7.399 0.01 . 1 . . . . . . . . . 6082 1 544 . 1 1 89 89 ASN HA H 1 4.926 0.01 . 1 . . . . . . . . . 6082 1 545 . 1 1 89 89 ASN HB2 H 1 3.040 0.01 . 2 . . . . . . . . . 6082 1 546 . 1 1 89 89 ASN HB3 H 1 2.723 0.01 . 2 . . . . . . . . . 6082 1 547 . 1 1 89 89 ASN HD21 H 1 7.325 0.01 . 2 . . . . . . . . . 6082 1 548 . 1 1 89 89 ASN HD22 H 1 6.685 0.01 . 2 . . . . . . . . . 6082 1 549 . 1 1 90 90 LEU H H 1 7.695 0.01 . 1 . . . . . . . . . 6082 1 550 . 1 1 90 90 LEU HA H 1 4.221 0.01 . 1 . . . . . . . . . 6082 1 551 . 1 1 90 90 LEU HB2 H 1 2.147 0.01 . 2 . . . . . . . . . 6082 1 552 . 1 1 90 90 LEU HB3 H 1 1.347 0.01 . 2 . . . . . . . . . 6082 1 553 . 1 1 90 90 LEU HG H 1 2.100 0.01 . 1 . . . . . . . . . 6082 1 554 . 1 1 90 90 LEU HD11 H 1 1.024 0.01 . 2 . . . . . . . . . 6082 1 555 . 1 1 90 90 LEU HD12 H 1 1.024 0.01 . 2 . . . . . . . . . 6082 1 556 . 1 1 90 90 LEU HD13 H 1 1.024 0.01 . 2 . . . . . . . . . 6082 1 557 . 1 1 90 90 LEU HD21 H 1 0.990 0.01 . 2 . . . . . . . . . 6082 1 558 . 1 1 90 90 LEU HD22 H 1 0.990 0.01 . 2 . . . . . . . . . 6082 1 559 . 1 1 90 90 LEU HD23 H 1 0.990 0.01 . 2 . . . . . . . . . 6082 1 560 . 1 1 91 91 PRO HA H 1 4.470 0.01 . 1 . . . . . . . . . 6082 1 561 . 1 1 91 91 PRO HB2 H 1 2.299 0.01 . 2 . . . . . . . . . 6082 1 562 . 1 1 91 91 PRO HB3 H 1 2.210 0.01 . 2 . . . . . . . . . 6082 1 563 . 1 1 91 91 PRO HG2 H 1 1.962 0.01 . 2 . . . . . . . . . 6082 1 564 . 1 1 91 91 PRO HG3 H 1 1.616 0.01 . 2 . . . . . . . . . 6082 1 565 . 1 1 91 91 PRO HD2 H 1 3.612 0.01 . 2 . . . . . . . . . 6082 1 566 . 1 1 91 91 PRO HD3 H 1 3.584 0.01 . 2 . . . . . . . . . 6082 1 567 . 1 1 92 92 ILE H H 1 7.094 0.01 . 1 . . . . . . . . . 6082 1 568 . 1 1 92 92 ILE HA H 1 4.295 0.01 . 1 . . . . . . . . . 6082 1 569 . 1 1 92 92 ILE HB H 1 1.877 0.01 . 1 . . . . . . . . . 6082 1 570 . 1 1 92 92 ILE HG12 H 1 1.414 0.01 . 9 . . . . . . . . . 6082 1 571 . 1 1 92 92 ILE HG13 H 1 0.858 0.01 . 9 . . . . . . . . . 6082 1 572 . 1 1 92 92 ILE HD11 H 1 0.628 0.01 . 1 . . . . . . . . . 6082 1 573 . 1 1 92 92 ILE HD12 H 1 0.628 0.01 . 1 . . . . . . . . . 6082 1 574 . 1 1 92 92 ILE HD13 H 1 0.628 0.01 . 1 . . . . . . . . . 6082 1 575 . 1 1 92 92 ILE HG21 H 1 0.870 0.01 . 1 . . . . . . . . . 6082 1 576 . 1 1 92 92 ILE HG22 H 1 0.870 0.01 . 1 . . . . . . . . . 6082 1 577 . 1 1 92 92 ILE HG23 H 1 0.870 0.01 . 1 . . . . . . . . . 6082 1 578 . 1 1 93 93 GLU H H 1 8.301 0.01 . 1 . . . . . . . . . 6082 1 579 . 1 1 93 93 GLU HA H 1 4.124 0.01 . 1 . . . . . . . . . 6082 1 580 . 1 1 93 93 GLU HB3 H 1 2.103 0.01 . 2 . . . . . . . . . 6082 1 581 . 1 1 93 93 GLU HB2 H 1 2.213 0.01 . 2 . . . . . . . . . 6082 1 582 . 1 1 93 93 GLU HG3 H 1 2.524 0.01 . 2 . . . . . . . . . 6082 1 583 . 1 1 93 93 GLU HG2 H 1 2.556 0.01 . 2 . . . . . . . . . 6082 1 584 . 1 1 94 94 CYS H H 1 7.786 0.01 . 1 . . . . . . . . . 6082 1 585 . 1 1 94 94 CYS HA H 1 4.679 0.01 . 1 . . . . . . . . . 6082 1 586 . 1 1 94 94 CYS HB2 H 1 3.119 0.01 . 2 . . . . . . . . . 6082 1 587 . 1 1 94 94 CYS HB3 H 1 2.485 0.01 . 2 . . . . . . . . . 6082 1 588 . 1 1 95 95 ASN H H 1 8.327 0.01 . 1 . . . . . . . . . 6082 1 589 . 1 1 95 95 ASN HA H 1 4.519 0.01 . 1 . . . . . . . . . 6082 1 590 . 1 1 95 95 ASN HB2 H 1 3.137 0.01 . 2 . . . . . . . . . 6082 1 591 . 1 1 95 95 ASN HB3 H 1 2.788 0.01 . 2 . . . . . . . . . 6082 1 592 . 1 1 95 95 ASN HD21 H 1 7.396 0.01 . 2 . . . . . . . . . 6082 1 593 . 1 1 95 95 ASN HD22 H 1 6.743 0.01 . 2 . . . . . . . . . 6082 1 594 . 1 1 96 96 LEU H H 1 8.344 0.01 . 1 . . . . . . . . . 6082 1 595 . 1 1 96 96 LEU HA H 1 4.506 0.01 . 1 . . . . . . . . . 6082 1 596 . 1 1 96 96 LEU HB2 H 1 1.542 0.01 . 2 . . . . . . . . . 6082 1 597 . 1 1 96 96 LEU HB3 H 1 1.502 0.01 . 2 . . . . . . . . . 6082 1 598 . 1 1 96 96 LEU HG H 1 1.505 0.01 . 1 . . . . . . . . . 6082 1 599 . 1 1 97 97 MET H H 1 7.251 0.01 . 1 . . . . . . . . . 6082 1 600 . 1 1 97 97 MET HA H 1 4.597 0.01 . 1 . . . . . . . . . 6082 1 601 . 1 1 97 97 MET HB2 H 1 2.176 0.01 . 2 . . . . . . . . . 6082 1 602 . 1 1 97 97 MET HB3 H 1 1.729 0.01 . 2 . . . . . . . . . 6082 1 603 . 1 1 97 97 MET HG2 H 1 2.645 0.01 . 2 . . . . . . . . . 6082 1 604 . 1 1 97 97 MET HG3 H 1 2.340 0.01 . 2 . . . . . . . . . 6082 1 605 . 1 1 97 97 MET HE1 H 1 2.215 0.01 . 1 . . . . . . . . . 6082 1 606 . 1 1 97 97 MET HE2 H 1 2.215 0.01 . 1 . . . . . . . . . 6082 1 607 . 1 1 97 97 MET HE3 H 1 2.215 0.01 . 1 . . . . . . . . . 6082 1 608 . 1 1 98 98 SER H H 1 8.596 0.01 . 1 . . . . . . . . . 6082 1 609 . 1 1 98 98 SER HA H 1 4.526 0.01 . 1 . . . . . . . . . 6082 1 610 . 1 1 98 98 SER HB2 H 1 3.980 0.01 . 2 . . . . . . . . . 6082 1 611 . 1 1 98 98 SER HB3 H 1 3.856 0.01 . 2 . . . . . . . . . 6082 1 612 . 1 1 99 99 GLN H H 1 7.222 0.01 . 1 . . . . . . . . . 6082 1 613 . 1 1 99 99 GLN HA H 1 4.845 0.01 . 1 . . . . . . . . . 6082 1 614 . 1 1 99 99 GLN HB2 H 1 2.158 0.01 . 2 . . . . . . . . . 6082 1 615 . 1 1 99 99 GLN HB3 H 1 1.891 0.01 . 2 . . . . . . . . . 6082 1 616 . 1 1 99 99 GLN HG2 H 1 2.648 0.01 . 2 . . . . . . . . . 6082 1 617 . 1 1 99 99 GLN HG3 H 1 2.357 0.01 . 2 . . . . . . . . . 6082 1 618 . 1 1 99 99 GLN HE21 H 1 7.449 0.01 . 2 . . . . . . . . . 6082 1 619 . 1 1 99 99 GLN HE22 H 1 6.816 0.01 . 2 . . . . . . . . . 6082 1 620 . 1 1 100 100 PRO HA H 1 4.517 0.01 . 1 . . . . . . . . . 6082 1 621 . 1 1 100 100 PRO HB2 H 1 2.248 0.01 . 2 . . . . . . . . . 6082 1 622 . 1 1 100 100 PRO HB3 H 1 1.750 0.01 . 2 . . . . . . . . . 6082 1 623 . 1 1 100 100 PRO HG2 H 1 2.011 0.01 . 2 . . . . . . . . . 6082 1 624 . 1 1 100 100 PRO HG3 H 1 1.930 0.01 . 2 . . . . . . . . . 6082 1 625 . 1 1 100 100 PRO HD2 H 1 3.703 0.01 . 2 . . . . . . . . . 6082 1 626 . 1 1 100 100 PRO HD3 H 1 3.694 0.01 . 2 . . . . . . . . . 6082 1 627 . 1 1 101 101 CYS H H 1 8.345 0.01 . 1 . . . . . . . . . 6082 1 628 . 1 1 101 101 CYS HA H 1 4.723 0.01 . 1 . . . . . . . . . 6082 1 629 . 1 1 101 101 CYS HB2 H 1 3.243 0.01 . 2 . . . . . . . . . 6082 1 630 . 1 1 101 101 CYS HB3 H 1 2.592 0.01 . 2 . . . . . . . . . 6082 1 631 . 1 1 102 102 GLN H H 1 8.708 0.01 . 1 . . . . . . . . . 6082 1 632 . 1 1 102 102 GLN HA H 1 4.256 0.01 . 1 . . . . . . . . . 6082 1 633 . 1 1 102 102 GLN HB2 H 1 2.091 0.01 . 2 . . . . . . . . . 6082 1 634 . 1 1 102 102 GLN HB3 H 1 1.966 0.01 . 2 . . . . . . . . . 6082 1 635 . 1 1 102 102 GLN HG2 H 1 2.392 0.01 . 1 . . . . . . . . . 6082 1 636 . 1 1 103 103 MET H H 1 8.191 0.01 . 1 . . . . . . . . . 6082 1 stop_ save_