data_6242 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6242 _Entry.Title ; 1H, 13C and 15N sequence-specific resonance assignments of the two-domain Thrombin inhibitor Dipetalin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-21 _Entry.Accession_date 2004-06-21 _Entry.Last_release_date 2004-06-21 _Entry.Original_release_date 2004-06-21 _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 Oliver Ohlenschlaeger . . . . 6242 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6242 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 6242 '15N chemical shifts' 97 6242 '1H chemical shifts' 581 6242 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 . . 2004-12-16 . original BMRB . 6242 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5276 'Kazal-type Thrombin Inhibitor Dipetalin' 6242 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6242 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N sequence-specific resonance assignments of the two-domain thrombin inhibitor dipetalin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 3 _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 383 _Citation.Page_last 384 _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 Michela Carella . . . . 6242 1 2 Ramadurai Ramachandran . . . . 6242 1 3 Bernhard Schlott . . . . 6242 1 4 Joerg Leppert . . . . 6242 1 5 Erika Glusa . . . . 6242 1 6 Oliver Ohlenschlaeger . . . . 6242 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6242 _Assembly.ID 1 _Assembly.Name DIPETALIN-I+II _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 12011 _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 6242 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 DIPETALIN-I+II 1 $Dipetalin-I+II . . . native . . . . . 6242 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 6 6 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . . . 6242 1 2 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . . . 6242 1 3 disulfide single . 1 . 1 CYS 16 16 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . . . 6242 1 4 disulfide single . 1 . 1 CYS 59 59 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . . . 6242 1 5 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 80 80 SG . . . . . . . . . . . . 6242 1 6 disulfide single . 1 . 1 CYS 69 69 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . . . 6242 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID DIPETALIN-I+II abbreviation 6242 1 DIPETALIN-I+II system 6242 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Thrombin inhibitor' 6242 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dipetalin-I+II _Entity.Sf_category entity _Entity.Sf_framecode Dipetalin-I+II _Entity.Entry_ID 6242 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dipetalin-I+II _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 ; FQGNPCECPRALHRVCGSDG NTYSNPCMLTCAKHEGNPDL VQVHEGPCDEHDHDFEDTCQ CDDTFQPVCGDDEITYRNLC HLECATFTTSPGVEVKHEGE CHPETKVN ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12011 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2010-09-18 _Entity.DB_query_revised_last_date 2008-01-16 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 . . BMRB 5276 . DIPETALIN . . . . . 196.36 55 100 100 5e-30 . . . . 6242 1 . . PDB 1KMA . 'A Chain A, Nmr Structure Of The Domain-I OfThe Kazal-Type Thrombin Inhibitor Dipetalin' . . . . . 196.36 55 100 100 5e-30 . . . . 6242 1 . . EMBL CAA10384.1 . 'dipetalogastin [Dipetalogaster maximus]' . . . . . 31.40 344 100 100 7e-66 . . . . 6242 1 . . SWISS-PROT O96790 . 'DPGN_DIPMA Serine protease inhibitordipetalogastin precursor (Dipetalin)' . . . . . 30.77 351 100 100 7e-66 . . . . 6242 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Dipetalin-I+II abbreviation 6242 1 Dipetalin-I+II common 6242 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 . PHE . 6242 1 2 . GLN . 6242 1 3 . GLY . 6242 1 4 . ASN . 6242 1 5 . PRO . 6242 1 6 . CYS . 6242 1 7 . GLU . 6242 1 8 . CYS . 6242 1 9 . PRO . 6242 1 10 . ARG . 6242 1 11 . ALA . 6242 1 12 . LEU . 6242 1 13 . HIS . 6242 1 14 . ARG . 6242 1 15 . VAL . 6242 1 16 . CYS . 6242 1 17 . GLY . 6242 1 18 . SER . 6242 1 19 . ASP . 6242 1 20 . GLY . 6242 1 21 . ASN . 6242 1 22 . THR . 6242 1 23 . TYR . 6242 1 24 . SER . 6242 1 25 . ASN . 6242 1 26 . PRO . 6242 1 27 . CYS . 6242 1 28 . MET . 6242 1 29 . LEU . 6242 1 30 . THR . 6242 1 31 . CYS . 6242 1 32 . ALA . 6242 1 33 . LYS . 6242 1 34 . HIS . 6242 1 35 . GLU . 6242 1 36 . GLY . 6242 1 37 . ASN . 6242 1 38 . PRO . 6242 1 39 . ASP . 6242 1 40 . LEU . 6242 1 41 . VAL . 6242 1 42 . GLN . 6242 1 43 . VAL . 6242 1 44 . HIS . 6242 1 45 . GLU . 6242 1 46 . GLY . 6242 1 47 . PRO . 6242 1 48 . CYS . 6242 1 49 . ASP . 6242 1 50 . GLU . 6242 1 51 . HIS . 6242 1 52 . ASP . 6242 1 53 . HIS . 6242 1 54 . ASP . 6242 1 55 . PHE . 6242 1 56 . GLU . 6242 1 57 . ASP . 6242 1 58 . THR . 6242 1 59 . CYS . 6242 1 60 . GLN . 6242 1 61 . CYS . 6242 1 62 . ASP . 6242 1 63 . ASP . 6242 1 64 . THR . 6242 1 65 . PHE . 6242 1 66 . GLN . 6242 1 67 . PRO . 6242 1 68 . VAL . 6242 1 69 . CYS . 6242 1 70 . GLY . 6242 1 71 . ASP . 6242 1 72 . ASP . 6242 1 73 . GLU . 6242 1 74 . ILE . 6242 1 75 . THR . 6242 1 76 . TYR . 6242 1 77 . ARG . 6242 1 78 . ASN . 6242 1 79 . LEU . 6242 1 80 . CYS . 6242 1 81 . HIS . 6242 1 82 . LEU . 6242 1 83 . GLU . 6242 1 84 . CYS . 6242 1 85 . ALA . 6242 1 86 . THR . 6242 1 87 . PHE . 6242 1 88 . THR . 6242 1 89 . THR . 6242 1 90 . SER . 6242 1 91 . PRO . 6242 1 92 . GLY . 6242 1 93 . VAL . 6242 1 94 . GLU . 6242 1 95 . VAL . 6242 1 96 . LYS . 6242 1 97 . HIS . 6242 1 98 . GLU . 6242 1 99 . GLY . 6242 1 100 . GLU . 6242 1 101 . CYS . 6242 1 102 . HIS . 6242 1 103 . PRO . 6242 1 104 . GLU . 6242 1 105 . THR . 6242 1 106 . LYS . 6242 1 107 . VAL . 6242 1 108 . ASN . 6242 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 . PHE 1 1 6242 1 . GLN 2 2 6242 1 . GLY 3 3 6242 1 . ASN 4 4 6242 1 . PRO 5 5 6242 1 . CYS 6 6 6242 1 . GLU 7 7 6242 1 . CYS 8 8 6242 1 . PRO 9 9 6242 1 . ARG 10 10 6242 1 . ALA 11 11 6242 1 . LEU 12 12 6242 1 . HIS 13 13 6242 1 . ARG 14 14 6242 1 . VAL 15 15 6242 1 . CYS 16 16 6242 1 . GLY 17 17 6242 1 . SER 18 18 6242 1 . ASP 19 19 6242 1 . GLY 20 20 6242 1 . ASN 21 21 6242 1 . THR 22 22 6242 1 . TYR 23 23 6242 1 . SER 24 24 6242 1 . ASN 25 25 6242 1 . PRO 26 26 6242 1 . CYS 27 27 6242 1 . MET 28 28 6242 1 . LEU 29 29 6242 1 . THR 30 30 6242 1 . CYS 31 31 6242 1 . ALA 32 32 6242 1 . LYS 33 33 6242 1 . HIS 34 34 6242 1 . GLU 35 35 6242 1 . GLY 36 36 6242 1 . ASN 37 37 6242 1 . PRO 38 38 6242 1 . ASP 39 39 6242 1 . LEU 40 40 6242 1 . VAL 41 41 6242 1 . GLN 42 42 6242 1 . VAL 43 43 6242 1 . HIS 44 44 6242 1 . GLU 45 45 6242 1 . GLY 46 46 6242 1 . PRO 47 47 6242 1 . CYS 48 48 6242 1 . ASP 49 49 6242 1 . GLU 50 50 6242 1 . HIS 51 51 6242 1 . ASP 52 52 6242 1 . HIS 53 53 6242 1 . ASP 54 54 6242 1 . PHE 55 55 6242 1 . GLU 56 56 6242 1 . ASP 57 57 6242 1 . THR 58 58 6242 1 . CYS 59 59 6242 1 . GLN 60 60 6242 1 . CYS 61 61 6242 1 . ASP 62 62 6242 1 . ASP 63 63 6242 1 . THR 64 64 6242 1 . PHE 65 65 6242 1 . GLN 66 66 6242 1 . PRO 67 67 6242 1 . VAL 68 68 6242 1 . CYS 69 69 6242 1 . GLY 70 70 6242 1 . ASP 71 71 6242 1 . ASP 72 72 6242 1 . GLU 73 73 6242 1 . ILE 74 74 6242 1 . THR 75 75 6242 1 . TYR 76 76 6242 1 . ARG 77 77 6242 1 . ASN 78 78 6242 1 . LEU 79 79 6242 1 . CYS 80 80 6242 1 . HIS 81 81 6242 1 . LEU 82 82 6242 1 . GLU 83 83 6242 1 . CYS 84 84 6242 1 . ALA 85 85 6242 1 . THR 86 86 6242 1 . PHE 87 87 6242 1 . THR 88 88 6242 1 . THR 89 89 6242 1 . SER 90 90 6242 1 . PRO 91 91 6242 1 . GLY 92 92 6242 1 . VAL 93 93 6242 1 . GLU 94 94 6242 1 . VAL 95 95 6242 1 . LYS 96 96 6242 1 . HIS 97 97 6242 1 . GLU 98 98 6242 1 . GLY 99 99 6242 1 . GLU 100 100 6242 1 . CYS 101 101 6242 1 . HIS 102 102 6242 1 . PRO 103 103 6242 1 . GLU 104 104 6242 1 . THR 105 105 6242 1 . LYS 106 106 6242 1 . VAL 107 107 6242 1 . ASN 108 108 6242 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 6242 _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 $Dipetalin-I+II . 72496 organism . 'Dipetalogaster maximus' 'Mexican bug' . . Eukaryota Metazoa Dipetalogaster maximus . . . . . . . . . . . . . 6242 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 6242 _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 $Dipetalin-I+II . 'recombinant technology' . . . . . . . . . . . . . . . . 6242 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6242 _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 Dipetalin-I+II [U-15N] . . 1 $Dipetalin-I+II . . 1.1 . . mM . . . . 6242 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6242 _Sample.ID 2 _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 Dipetalin-I+II '[U-13C; U-15N]' . . 1 $Dipetalin-I+II . . 1.3 . . mM . . . . 6242 2 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 6242 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 . n/a 6242 1 temperature 288 0.2 K 6242 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6242 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6242 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6242 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 6242 1 2 spectrometer_2 Varian INOVA . 750 . . . 6242 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 6242 _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 experiment_1 . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6242 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 6242 _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 C 13 dioxane carbon . . . . ppm 67.80 external direct . . . . . . 6242 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct . . . . . . 6242 1 N 15 NH4Cl nitrogen . . . . ppm 24.93 external direct . . . . . . 6242 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_1 _Assigned_chem_shift_list.Entry_ID 6242 _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 experiment_1 1 $sample_1 . 6242 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 PHE CA C 13 55.6 0.2 . 1 . . . . . . . . . 6242 1 2 . 1 1 1 1 PHE HA H 1 3.98 0.02 . 1 . . . . . . . . . 6242 1 3 . 1 1 1 1 PHE CB C 13 27.9 0.2 . 1 . . . . . . . . . 6242 1 4 . 1 1 1 1 PHE HB2 H 1 1.92 0.02 . 1 . . . . . . . . . 6242 1 5 . 1 1 1 1 PHE HB3 H 1 1.92 0.02 . 1 . . . . . . . . . 6242 1 6 . 1 1 1 1 PHE C C 13 174.9 0.2 . 1 . . . . . . . . . 6242 1 7 . 1 1 2 2 GLN N N 15 120.0 0.2 . 1 . . . . . . . . . 6242 1 8 . 1 1 2 2 GLN H H 1 8.35 0.02 . 1 . . . . . . . . . 6242 1 9 . 1 1 2 2 GLN CA C 13 54.0 0.2 . 1 . . . . . . . . . 6242 1 10 . 1 1 2 2 GLN HA H 1 4.15 0.02 . 1 . . . . . . . . . 6242 1 11 . 1 1 2 2 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . . 6242 1 12 . 1 1 2 2 GLN HB2 H 1 1.70 0.02 . 1 . . . . . . . . . 6242 1 13 . 1 1 2 2 GLN HB3 H 1 1.70 0.02 . 1 . . . . . . . . . 6242 1 14 . 1 1 2 2 GLN CG C 13 31.8 0.2 . 1 . . . . . . . . . 6242 1 15 . 1 1 2 2 GLN HG2 H 1 2.12 0.02 . 1 . . . . . . . . . 6242 1 16 . 1 1 2 2 GLN HG3 H 1 2.12 0.02 . 1 . . . . . . . . . 6242 1 17 . 1 1 2 2 GLN NE2 N 15 114.2 0.2 . 1 . . . . . . . . . 6242 1 18 . 1 1 2 2 GLN HE21 H 1 7.47 0.02 . 2 . . . . . . . . . 6242 1 19 . 1 1 2 2 GLN HE22 H 1 6.76 0.02 . 2 . . . . . . . . . 6242 1 20 . 1 1 2 2 GLN C C 13 173.7 0.2 . 1 . . . . . . . . . 6242 1 21 . 1 1 3 3 GLY N N 15 111.9 0.2 . 1 . . . . . . . . . 6242 1 22 . 1 1 3 3 GLY H H 1 8.08 0.02 . 1 . . . . . . . . . 6242 1 23 . 1 1 3 3 GLY CA C 13 43.2 0.2 . 1 . . . . . . . . . 6242 1 24 . 1 1 3 3 GLY HA2 H 1 3.78 0.02 . 1 . . . . . . . . . 6242 1 25 . 1 1 3 3 GLY HA3 H 1 3.78 0.02 . 1 . . . . . . . . . 6242 1 26 . 1 1 3 3 GLY C C 13 171.6 0.2 . 1 . . . . . . . . . 6242 1 27 . 1 1 4 4 ASN N N 15 121.0 0.2 . 1 . . . . . . . . . 6242 1 28 . 1 1 4 4 ASN H H 1 8.30 0.02 . 1 . . . . . . . . . 6242 1 29 . 1 1 4 4 ASN CA C 13 49.2 0.2 . 1 . . . . . . . . . 6242 1 30 . 1 1 4 4 ASN HA H 1 4.86 0.02 . 1 . . . . . . . . . 6242 1 31 . 1 1 4 4 ASN CB C 13 37.1 0.2 . 1 . . . . . . . . . 6242 1 32 . 1 1 4 4 ASN HB2 H 1 2.54 0.02 . 2 . . . . . . . . . 6242 1 33 . 1 1 4 4 ASN HB3 H 1 2.69 0.02 . 2 . . . . . . . . . 6242 1 34 . 1 1 4 4 ASN ND2 N 15 114.5 0.2 . 1 . . . . . . . . . 6242 1 35 . 1 1 4 4 ASN HD21 H 1 6.99 0.02 . 2 . . . . . . . . . 6242 1 36 . 1 1 4 4 ASN HD22 H 1 7.53 0.02 . 2 . . . . . . . . . 6242 1 37 . 1 1 5 5 PRO CD C 13 49.0 0.2 . 1 . . . . . . . . . 6242 1 38 . 1 1 5 5 PRO CA C 13 62.0 0.2 . 1 . . . . . . . . . 6242 1 39 . 1 1 5 5 PRO HA H 1 4.20 0.02 . 1 . . . . . . . . . 6242 1 40 . 1 1 5 5 PRO CB C 13 30.4 0.2 . 1 . . . . . . . . . 6242 1 41 . 1 1 5 5 PRO HB2 H 1 1.72 0.02 . 2 . . . . . . . . . 6242 1 42 . 1 1 5 5 PRO HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 6242 1 43 . 1 1 5 5 PRO CG C 13 25.3 0.2 . 1 . . . . . . . . . 6242 1 44 . 1 1 5 5 PRO HG2 H 1 1.72 0.02 . 1 . . . . . . . . . 6242 1 45 . 1 1 5 5 PRO HG3 H 1 1.72 0.02 . 1 . . . . . . . . . 6242 1 46 . 1 1 5 5 PRO HD2 H 1 3.47 0.02 . 2 . . . . . . . . . 6242 1 47 . 1 1 5 5 PRO HD3 H 1 3.64 0.02 . 2 . . . . . . . . . 6242 1 48 . 1 1 9 9 PRO CD C 13 49.1 0.2 . 1 . . . . . . . . . 6242 1 49 . 1 1 9 9 PRO CA C 13 60.7 0.2 . 1 . . . . . . . . . 6242 1 50 . 1 1 9 9 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . . 6242 1 51 . 1 1 9 9 PRO CB C 13 30.7 0.2 . 1 . . . . . . . . . 6242 1 52 . 1 1 9 9 PRO HB2 H 1 1.77 0.02 . 2 . . . . . . . . . 6242 1 53 . 1 1 9 9 PRO HB3 H 1 2.31 0.02 . 2 . . . . . . . . . 6242 1 54 . 1 1 9 9 PRO CG C 13 25.7 0.2 . 1 . . . . . . . . . 6242 1 55 . 1 1 9 9 PRO HG2 H 1 1.94 0.02 . 1 . . . . . . . . . 6242 1 56 . 1 1 9 9 PRO HG3 H 1 1.94 0.02 . 1 . . . . . . . . . 6242 1 57 . 1 1 9 9 PRO HD2 H 1 3.41 0.02 . 2 . . . . . . . . . 6242 1 58 . 1 1 9 9 PRO HD3 H 1 3.90 0.02 . 2 . . . . . . . . . 6242 1 59 . 1 1 9 9 PRO C C 13 174.5 0.2 . 1 . . . . . . . . . 6242 1 60 . 1 1 10 10 ARG N N 15 121.6 0.2 . 1 . . . . . . . . . 6242 1 61 . 1 1 10 10 ARG H H 1 8.47 0.02 . 1 . . . . . . . . . 6242 1 62 . 1 1 10 10 ARG CA C 13 54.4 0.2 . 1 . . . . . . . . . 6242 1 63 . 1 1 10 10 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . . 6242 1 64 . 1 1 10 10 ARG CB C 13 28.3 0.2 . 1 . . . . . . . . . 6242 1 65 . 1 1 10 10 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . . 6242 1 66 . 1 1 10 10 ARG HB3 H 1 1.59 0.02 . 2 . . . . . . . . . 6242 1 67 . 1 1 10 10 ARG CG C 13 25.6 0.2 . 1 . . . . . . . . . 6242 1 68 . 1 1 10 10 ARG HG2 H 1 1.49 0.02 . 2 . . . . . . . . . 6242 1 69 . 1 1 10 10 ARG HG3 H 1 1.54 0.02 . 2 . . . . . . . . . 6242 1 70 . 1 1 10 10 ARG CD C 13 41.2 0.2 . 1 . . . . . . . . . 6242 1 71 . 1 1 10 10 ARG HD2 H 1 3.05 0.02 . 2 . . . . . . . . . 6242 1 72 . 1 1 10 10 ARG HD3 H 1 2.98 0.02 . 2 . . . . . . . . . 6242 1 73 . 1 1 10 10 ARG C C 13 175.3 0.2 . 1 . . . . . . . . . 6242 1 74 . 1 1 11 11 ALA N N 15 123.3 0.2 . 1 . . . . . . . . . 6242 1 75 . 1 1 11 11 ALA H H 1 7.18 0.02 . 1 . . . . . . . . . 6242 1 76 . 1 1 11 11 ALA CA C 13 51.0 0.2 . 1 . . . . . . . . . 6242 1 77 . 1 1 11 11 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . . 6242 1 78 . 1 1 11 11 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . . 6242 1 79 . 1 1 11 11 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . . 6242 1 80 . 1 1 11 11 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . . 6242 1 81 . 1 1 11 11 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . . 6242 1 82 . 1 1 11 11 ALA C C 13 175.1 0.2 . 1 . . . . . . . . . 6242 1 83 . 1 1 12 12 LEU N N 15 125.5 0.2 . 1 . . . . . . . . . 6242 1 84 . 1 1 12 12 LEU H H 1 8.42 0.02 . 1 . . . . . . . . . 6242 1 85 . 1 1 12 12 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . . 6242 1 86 . 1 1 12 12 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . . 6242 1 87 . 1 1 12 12 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . . 6242 1 88 . 1 1 12 12 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . . 6242 1 89 . 1 1 12 12 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . . 6242 1 90 . 1 1 12 12 LEU CG C 13 25.4 0.2 . 1 . . . . . . . . . 6242 1 91 . 1 1 12 12 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . . 6242 1 92 . 1 1 12 12 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . . 6242 1 93 . 1 1 12 12 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . . 6242 1 94 . 1 1 12 12 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . . 6242 1 95 . 1 1 12 12 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . . 6242 1 96 . 1 1 12 12 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . . 6242 1 97 . 1 1 12 12 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . . 6242 1 98 . 1 1 12 12 LEU CD1 C 13 22.6 0.2 . 1 . . . . . . . . . 6242 1 99 . 1 1 12 12 LEU CD2 C 13 23.2 0.2 . 1 . . . . . . . . . 6242 1 100 . 1 1 12 12 LEU C C 13 175.5 0.2 . 1 . . . . . . . . . 6242 1 101 . 1 1 13 13 HIS N N 15 127.5 0.2 . 1 . . . . . . . . . 6242 1 102 . 1 1 13 13 HIS H H 1 9.26 0.02 . 1 . . . . . . . . . 6242 1 103 . 1 1 13 13 HIS CA C 13 53.8 0.2 . 1 . . . . . . . . . 6242 1 104 . 1 1 13 13 HIS HA H 1 4.46 0.02 . 1 . . . . . . . . . 6242 1 105 . 1 1 13 13 HIS CB C 13 27.3 0.2 . 1 . . . . . . . . . 6242 1 106 . 1 1 13 13 HIS HB2 H 1 2.93 0.02 . 2 . . . . . . . . . 6242 1 107 . 1 1 13 13 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . . 6242 1 108 . 1 1 13 13 HIS C C 13 170.5 0.2 . 1 . . . . . . . . . 6242 1 109 . 1 1 14 14 ARG N N 15 123.1 0.2 . 1 . . . . . . . . . 6242 1 110 . 1 1 14 14 ARG H H 1 8.33 0.02 . 1 . . . . . . . . . 6242 1 111 . 1 1 14 14 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . . 6242 1 112 . 1 1 14 14 ARG HA H 1 4.31 0.02 . 1 . . . . . . . . . 6242 1 113 . 1 1 14 14 ARG CB C 13 29.3 0.2 . 1 . . . . . . . . . 6242 1 114 . 1 1 14 14 ARG HB2 H 1 1.08 0.02 . 2 . . . . . . . . . 6242 1 115 . 1 1 14 14 ARG HB3 H 1 1.48 0.02 . 2 . . . . . . . . . 6242 1 116 . 1 1 14 14 ARG CG C 13 26.7 0.2 . 1 . . . . . . . . . 6242 1 117 . 1 1 14 14 ARG HG2 H 1 1.53 0.02 . 2 . . . . . . . . . 6242 1 118 . 1 1 14 14 ARG HG3 H 1 1.73 0.02 . 2 . . . . . . . . . 6242 1 119 . 1 1 14 14 ARG CD C 13 42.3 0.2 . 1 . . . . . . . . . 6242 1 120 . 1 1 14 14 ARG HD2 H 1 2.92 0.02 . 2 . . . . . . . . . 6242 1 121 . 1 1 14 14 ARG HD3 H 1 2.99 0.02 . 2 . . . . . . . . . 6242 1 122 . 1 1 14 14 ARG C C 13 176.1 0.2 . 1 . . . . . . . . . 6242 1 123 . 1 1 15 15 VAL N N 15 113.2 0.2 . 1 . . . . . . . . . 6242 1 124 . 1 1 15 15 VAL H H 1 8.23 0.02 . 1 . . . . . . . . . 6242 1 125 . 1 1 15 15 VAL CA C 13 58.1 0.2 . 1 . . . . . . . . . 6242 1 126 . 1 1 15 15 VAL HA H 1 4.55 0.02 . 1 . . . . . . . . . 6242 1 127 . 1 1 15 15 VAL CB C 13 35.1 0.2 . 1 . . . . . . . . . 6242 1 128 . 1 1 15 15 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . . 6242 1 129 . 1 1 15 15 VAL HG11 H 1 0.48 0.02 . 2 . . . . . . . . . 6242 1 130 . 1 1 15 15 VAL HG12 H 1 0.48 0.02 . 2 . . . . . . . . . 6242 1 131 . 1 1 15 15 VAL HG13 H 1 0.48 0.02 . 2 . . . . . . . . . 6242 1 132 . 1 1 15 15 VAL HG21 H 1 0.86 0.02 . 2 . . . . . . . . . 6242 1 133 . 1 1 15 15 VAL HG22 H 1 0.86 0.02 . 2 . . . . . . . . . 6242 1 134 . 1 1 15 15 VAL HG23 H 1 0.86 0.02 . 2 . . . . . . . . . 6242 1 135 . 1 1 15 15 VAL CG1 C 13 16.4 0.2 . 1 . . . . . . . . . 6242 1 136 . 1 1 15 15 VAL CG2 C 13 20.2 0.2 . 1 . . . . . . . . . 6242 1 137 . 1 1 15 15 VAL C C 13 171.3 0.2 . 1 . . . . . . . . . 6242 1 138 . 1 1 16 16 CYS N N 15 121.0 0.2 . 1 . . . . . . . . . 6242 1 139 . 1 1 16 16 CYS H H 1 8.12 0.02 . 1 . . . . . . . . . 6242 1 140 . 1 1 16 16 CYS CA C 13 52.2 0.2 . 1 . . . . . . . . . 6242 1 141 . 1 1 16 16 CYS HA H 1 5.01 0.02 . 1 . . . . . . . . . 6242 1 142 . 1 1 16 16 CYS CB C 13 36.8 0.2 . 1 . . . . . . . . . 6242 1 143 . 1 1 16 16 CYS HB2 H 1 0.95 0.02 . 2 . . . . . . . . . 6242 1 144 . 1 1 16 16 CYS HB3 H 1 2.30 0.02 . 2 . . . . . . . . . 6242 1 145 . 1 1 16 16 CYS C C 13 173.5 0.2 . 1 . . . . . . . . . 6242 1 146 . 1 1 17 17 GLY N N 15 117.1 0.2 . 1 . . . . . . . . . 6242 1 147 . 1 1 17 17 GLY H H 1 9.31 0.02 . 1 . . . . . . . . . 6242 1 148 . 1 1 17 17 GLY CA C 13 42.9 0.2 . 1 . . . . . . . . . 6242 1 149 . 1 1 17 17 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . . 6242 1 150 . 1 1 17 17 GLY HA3 H 1 4.84 0.02 . 2 . . . . . . . . . 6242 1 151 . 1 1 17 17 GLY C C 13 173.9 0.2 . 1 . . . . . . . . . 6242 1 152 . 1 1 18 18 SER N N 15 119.4 0.2 . 1 . . . . . . . . . 6242 1 153 . 1 1 18 18 SER H H 1 9.22 0.02 . 1 . . . . . . . . . 6242 1 154 . 1 1 18 18 SER CA C 13 58.9 0.2 . 1 . . . . . . . . . 6242 1 155 . 1 1 18 18 SER HA H 1 3.92 0.02 . 1 . . . . . . . . . 6242 1 156 . 1 1 18 18 SER CB C 13 60.3 0.2 . 1 . . . . . . . . . 6242 1 157 . 1 1 18 18 SER HB2 H 1 3.65 0.02 . 2 . . . . . . . . . 6242 1 158 . 1 1 18 18 SER HB3 H 1 4.05 0.02 . 2 . . . . . . . . . 6242 1 159 . 1 1 18 18 SER C C 13 171.9 0.2 . 1 . . . . . . . . . 6242 1 160 . 1 1 19 19 ASP N N 15 121.8 0.2 . 1 . . . . . . . . . 6242 1 161 . 1 1 19 19 ASP H H 1 8.09 0.02 . 1 . . . . . . . . . 6242 1 162 . 1 1 19 19 ASP CA C 13 51.4 0.2 . 1 . . . . . . . . . 6242 1 163 . 1 1 19 19 ASP HA H 1 4.38 0.02 . 1 . . . . . . . . . 6242 1 164 . 1 1 19 19 ASP CB C 13 38.7 0.2 . 1 . . . . . . . . . 6242 1 165 . 1 1 19 19 ASP HB2 H 1 2.43 0.02 . 2 . . . . . . . . . 6242 1 166 . 1 1 19 19 ASP HB3 H 1 2.85 0.02 . 2 . . . . . . . . . 6242 1 167 . 1 1 19 19 ASP C C 13 174.8 0.2 . 1 . . . . . . . . . 6242 1 168 . 1 1 20 20 GLY N N 15 110.1 0.2 . 1 . . . . . . . . . 6242 1 169 . 1 1 20 20 GLY H H 1 8.14 0.02 . 1 . . . . . . . . . 6242 1 170 . 1 1 20 20 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . . 6242 1 171 . 1 1 20 20 GLY HA2 H 1 3.58 0.02 . 2 . . . . . . . . . 6242 1 172 . 1 1 20 20 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . . 6242 1 173 . 1 1 20 20 GLY C C 13 171.9 0.2 . 1 . . . . . . . . . 6242 1 174 . 1 1 21 21 ASN N N 15 120.4 0.2 . 1 . . . . . . . . . 6242 1 175 . 1 1 21 21 ASN H H 1 7.99 0.02 . 1 . . . . . . . . . 6242 1 176 . 1 1 21 21 ASN CA C 13 50.1 0.2 . 1 . . . . . . . . . 6242 1 177 . 1 1 21 21 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . . 6242 1 178 . 1 1 21 21 ASN CB C 13 37.9 0.2 . 1 . . . . . . . . . 6242 1 179 . 1 1 21 21 ASN HB2 H 1 1.92 0.02 . 2 . . . . . . . . . 6242 1 180 . 1 1 21 21 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . . 6242 1 181 . 1 1 21 21 ASN ND2 N 15 116.4 0.2 . 1 . . . . . . . . . 6242 1 182 . 1 1 21 21 ASN HD21 H 1 6.79 0.02 . 2 . . . . . . . . . 6242 1 183 . 1 1 21 21 ASN HD22 H 1 6.85 0.02 . 2 . . . . . . . . . 6242 1 184 . 1 1 21 21 ASN C C 13 171.6 0.2 . 1 . . . . . . . . . 6242 1 185 . 1 1 22 22 THR N N 15 122.2 0.2 . 1 . . . . . . . . . 6242 1 186 . 1 1 22 22 THR H H 1 8.44 0.02 . 1 . . . . . . . . . 6242 1 187 . 1 1 22 22 THR CA C 13 60.8 0.2 . 1 . . . . . . . . . 6242 1 188 . 1 1 22 22 THR HA H 1 4.76 0.02 . 1 . . . . . . . . . 6242 1 189 . 1 1 22 22 THR CB C 13 67.3 0.2 . 1 . . . . . . . . . 6242 1 190 . 1 1 22 22 THR HB H 1 3.86 0.02 . 1 . . . . . . . . . 6242 1 191 . 1 1 22 22 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . . 6242 1 192 . 1 1 22 22 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . . 6242 1 193 . 1 1 22 22 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . . 6242 1 194 . 1 1 22 22 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . . 6242 1 195 . 1 1 22 22 THR C C 13 172.8 0.2 . 1 . . . . . . . . . 6242 1 196 . 1 1 23 23 TYR N N 15 129.0 0.2 . 1 . . . . . . . . . 6242 1 197 . 1 1 23 23 TYR H H 1 9.16 0.02 . 1 . . . . . . . . . 6242 1 198 . 1 1 23 23 TYR CA C 13 55.9 0.2 . 1 . . . . . . . . . 6242 1 199 . 1 1 23 23 TYR HA H 1 4.42 0.02 . 1 . . . . . . . . . 6242 1 200 . 1 1 23 23 TYR CB C 13 40.3 0.2 . 1 . . . . . . . . . 6242 1 201 . 1 1 23 23 TYR HB2 H 1 2.31 0.02 . 2 . . . . . . . . . 6242 1 202 . 1 1 23 23 TYR HB3 H 1 2.68 0.02 . 2 . . . . . . . . . 6242 1 203 . 1 1 23 23 TYR C C 13 175.0 0.2 . 1 . . . . . . . . . 6242 1 204 . 1 1 24 24 SER N N 15 118.9 0.2 . 1 . . . . . . . . . 6242 1 205 . 1 1 24 24 SER H H 1 9.11 0.02 . 1 . . . . . . . . . 6242 1 206 . 1 1 24 24 SER CA C 13 60.3 0.2 . 1 . . . . . . . . . 6242 1 207 . 1 1 24 24 SER HA H 1 3.82 0.02 . 1 . . . . . . . . . 6242 1 208 . 1 1 24 24 SER CB C 13 61.6 0.2 . 1 . . . . . . . . . 6242 1 209 . 1 1 24 24 SER HB2 H 1 3.77 0.02 . 1 . . . . . . . . . 6242 1 210 . 1 1 24 24 SER HB3 H 1 3.77 0.02 . 1 . . . . . . . . . 6242 1 211 . 1 1 24 24 SER C C 13 171.1 0.2 . 1 . . . . . . . . . 6242 1 212 . 1 1 25 25 ASN N N 15 110.7 0.2 . 1 . . . . . . . . . 6242 1 213 . 1 1 25 25 ASN H H 1 7.25 0.02 . 1 . . . . . . . . . 6242 1 214 . 1 1 25 25 ASN CA C 13 50.0 0.2 . 1 . . . . . . . . . 6242 1 215 . 1 1 25 25 ASN HA H 1 5.32 0.02 . 1 . . . . . . . . . 6242 1 216 . 1 1 25 25 ASN CB C 13 35.4 0.2 . 1 . . . . . . . . . 6242 1 217 . 1 1 25 25 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . . 6242 1 218 . 1 1 25 25 ASN HB3 H 1 3.25 0.02 . 2 . . . . . . . . . 6242 1 219 . 1 1 25 25 ASN ND2 N 15 115.2 0.2 . 1 . . . . . . . . . 6242 1 220 . 1 1 25 25 ASN HD21 H 1 6.34 0.02 . 2 . . . . . . . . . 6242 1 221 . 1 1 25 25 ASN HD22 H 1 7.35 0.02 . 2 . . . . . . . . . 6242 1 222 . 1 1 26 26 PRO CD C 13 48.6 0.2 . 1 . . . . . . . . . 6242 1 223 . 1 1 26 26 PRO CA C 13 64.2 0.2 . 1 . . . . . . . . . 6242 1 224 . 1 1 26 26 PRO HA H 1 3.97 0.02 . 1 . . . . . . . . . 6242 1 225 . 1 1 26 26 PRO CB C 13 30.5 0.2 . 1 . . . . . . . . . 6242 1 226 . 1 1 26 26 PRO HB2 H 1 1.85 0.02 . 2 . . . . . . . . . 6242 1 227 . 1 1 26 26 PRO HB3 H 1 2.46 0.02 . 2 . . . . . . . . . 6242 1 228 . 1 1 26 26 PRO CG C 13 26.3 0.2 . 1 . . . . . . . . . 6242 1 229 . 1 1 26 26 PRO HG2 H 1 1.85 0.02 . 2 . . . . . . . . . 6242 1 230 . 1 1 26 26 PRO HG3 H 1 2.03 0.02 . 2 . . . . . . . . . 6242 1 231 . 1 1 26 26 PRO HD2 H 1 3.58 0.02 . 2 . . . . . . . . . 6242 1 232 . 1 1 26 26 PRO HD3 H 1 4.05 0.02 . 2 . . . . . . . . . 6242 1 233 . 1 1 26 26 PRO C C 13 175.9 0.2 . 1 . . . . . . . . . 6242 1 234 . 1 1 27 27 CYS N N 15 119.2 0.2 . 1 . . . . . . . . . 6242 1 235 . 1 1 27 27 CYS H H 1 7.81 0.02 . 1 . . . . . . . . . 6242 1 236 . 1 1 27 27 CYS CA C 13 58.2 0.2 . 1 . . . . . . . . . 6242 1 237 . 1 1 27 27 CYS HA H 1 4.10 0.02 . 1 . . . . . . . . . 6242 1 238 . 1 1 27 27 CYS CB C 13 34.0 0.2 . 1 . . . . . . . . . 6242 1 239 . 1 1 27 27 CYS HB2 H 1 2.98 0.02 . 2 . . . . . . . . . 6242 1 240 . 1 1 27 27 CYS HB3 H 1 3.22 0.02 . 2 . . . . . . . . . 6242 1 241 . 1 1 27 27 CYS C C 13 175.4 0.2 . 1 . . . . . . . . . 6242 1 242 . 1 1 28 28 MET N N 15 122.6 0.2 . 1 . . . . . . . . . 6242 1 243 . 1 1 28 28 MET H H 1 8.20 0.02 . 1 . . . . . . . . . 6242 1 244 . 1 1 28 28 MET CA C 13 55.5 0.2 . 1 . . . . . . . . . 6242 1 245 . 1 1 28 28 MET HA H 1 4.20 0.02 . 1 . . . . . . . . . 6242 1 246 . 1 1 28 28 MET CB C 13 30.2 0.2 . 1 . . . . . . . . . 6242 1 247 . 1 1 28 28 MET HB2 H 1 2.19 0.02 . 1 . . . . . . . . . 6242 1 248 . 1 1 28 28 MET HB3 H 1 2.19 0.02 . 1 . . . . . . . . . 6242 1 249 . 1 1 28 28 MET CG C 13 30.8 0.2 . 1 . . . . . . . . . 6242 1 250 . 1 1 28 28 MET HG2 H 1 2.62 0.02 . 2 . . . . . . . . . 6242 1 251 . 1 1 28 28 MET HG3 H 1 2.72 0.02 . 2 . . . . . . . . . 6242 1 252 . 1 1 28 28 MET HE1 H 1 2.03 0.02 . 1 . . . . . . . . . 6242 1 253 . 1 1 28 28 MET HE2 H 1 2.03 0.02 . 1 . . . . . . . . . 6242 1 254 . 1 1 28 28 MET HE3 H 1 2.03 0.02 . 1 . . . . . . . . . 6242 1 255 . 1 1 28 28 MET CE C 13 15.4 0.2 . 1 . . . . . . . . . 6242 1 256 . 1 1 28 28 MET C C 13 177.6 0.2 . 1 . . . . . . . . . 6242 1 257 . 1 1 29 29 LEU N N 15 125.3 0.2 . 1 . . . . . . . . . 6242 1 258 . 1 1 29 29 LEU H H 1 7.12 0.02 . 1 . . . . . . . . . 6242 1 259 . 1 1 29 29 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . . 6242 1 260 . 1 1 29 29 LEU HA H 1 2.87 0.02 . 1 . . . . . . . . . 6242 1 261 . 1 1 29 29 LEU CB C 13 39.0 0.2 . 1 . . . . . . . . . 6242 1 262 . 1 1 29 29 LEU HB2 H 1 0.82 0.02 . 2 . . . . . . . . . 6242 1 263 . 1 1 29 29 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . . 6242 1 264 . 1 1 29 29 LEU CG C 13 25.8 0.2 . 1 . . . . . . . . . 6242 1 265 . 1 1 29 29 LEU HG H 1 0.75 0.02 . 1 . . . . . . . . . 6242 1 266 . 1 1 29 29 LEU HD11 H 1 0.45 0.02 . 2 . . . . . . . . . 6242 1 267 . 1 1 29 29 LEU HD12 H 1 0.45 0.02 . 2 . . . . . . . . . 6242 1 268 . 1 1 29 29 LEU HD13 H 1 0.45 0.02 . 2 . . . . . . . . . 6242 1 269 . 1 1 29 29 LEU HD21 H 1 0.40 0.02 . 2 . . . . . . . . . 6242 1 270 . 1 1 29 29 LEU HD22 H 1 0.40 0.02 . 2 . . . . . . . . . 6242 1 271 . 1 1 29 29 LEU HD23 H 1 0.40 0.02 . 2 . . . . . . . . . 6242 1 272 . 1 1 29 29 LEU CD1 C 13 25.1 0.2 . 1 . . . . . . . . . 6242 1 273 . 1 1 29 29 LEU CD2 C 13 22.1 0.2 . 1 . . . . . . . . . 6242 1 274 . 1 1 29 29 LEU C C 13 176.1 0.2 . 1 . . . . . . . . . 6242 1 275 . 1 1 30 30 THR N N 15 119.1 0.2 . 1 . . . . . . . . . 6242 1 276 . 1 1 30 30 THR H H 1 8.10 0.02 . 1 . . . . . . . . . 6242 1 277 . 1 1 30 30 THR CA C 13 65.1 0.2 . 1 . . . . . . . . . 6242 1 278 . 1 1 30 30 THR HA H 1 3.43 0.02 . 1 . . . . . . . . . 6242 1 279 . 1 1 30 30 THR CB C 13 66.2 0.2 . 1 . . . . . . . . . 6242 1 280 . 1 1 30 30 THR HB H 1 4.17 0.02 . 1 . . . . . . . . . 6242 1 281 . 1 1 30 30 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . . 6242 1 282 . 1 1 30 30 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . . 6242 1 283 . 1 1 30 30 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . . 6242 1 284 . 1 1 30 30 THR CG2 C 13 21.0 0.2 . 1 . . . . . . . . . 6242 1 285 . 1 1 30 30 THR C C 13 174.4 0.2 . 1 . . . . . . . . . 6242 1 286 . 1 1 31 31 CYS N N 15 122.4 0.2 . 1 . . . . . . . . . 6242 1 287 . 1 1 31 31 CYS H H 1 8.48 0.02 . 1 . . . . . . . . . 6242 1 288 . 1 1 31 31 CYS CA C 13 56.7 0.2 . 1 . . . . . . . . . 6242 1 289 . 1 1 31 31 CYS HA H 1 4.11 0.02 . 1 . . . . . . . . . 6242 1 290 . 1 1 31 31 CYS CB C 13 38.2 0.2 . 1 . . . . . . . . . 6242 1 291 . 1 1 31 31 CYS HB2 H 1 3.10 0.02 . 2 . . . . . . . . . 6242 1 292 . 1 1 31 31 CYS HB3 H 1 3.22 0.02 . 2 . . . . . . . . . 6242 1 293 . 1 1 31 31 CYS C C 13 174.4 0.2 . 1 . . . . . . . . . 6242 1 294 . 1 1 32 32 ALA N N 15 123.5 0.2 . 1 . . . . . . . . . 6242 1 295 . 1 1 32 32 ALA H H 1 7.44 0.02 . 1 . . . . . . . . . 6242 1 296 . 1 1 32 32 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . . 6242 1 297 . 1 1 32 32 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . . 6242 1 298 . 1 1 32 32 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . . 6242 1 299 . 1 1 32 32 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . . 6242 1 300 . 1 1 32 32 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . . 6242 1 301 . 1 1 32 32 ALA CB C 13 16.5 0.2 . 1 . . . . . . . . . 6242 1 302 . 1 1 32 32 ALA C C 13 178.6 0.2 . 1 . . . . . . . . . 6242 1 303 . 1 1 33 33 LYS N N 15 123.5 0.2 . 1 . . . . . . . . . 6242 1 304 . 1 1 33 33 LYS H H 1 8.04 0.02 . 1 . . . . . . . . . 6242 1 305 . 1 1 33 33 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . . 6242 1 306 . 1 1 33 33 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . . 6242 1 307 . 1 1 33 33 LYS CB C 13 31.6 0.2 . 1 . . . . . . . . . 6242 1 308 . 1 1 33 33 LYS HB2 H 1 1.49 0.02 . 2 . . . . . . . . . 6242 1 309 . 1 1 33 33 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . . 6242 1 310 . 1 1 33 33 LYS CG C 13 28.2 0.2 . 1 . . . . . . . . . 6242 1 311 . 1 1 33 33 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . . 6242 1 312 . 1 1 33 33 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . . 6242 1 313 . 1 1 33 33 LYS CD C 13 22.2 0.2 . 1 . . . . . . . . . 6242 1 314 . 1 1 33 33 LYS HD2 H 1 0.92 0.02 . 2 . . . . . . . . . 6242 1 315 . 1 1 33 33 LYS HD3 H 1 1.58 0.02 . 2 . . . . . . . . . 6242 1 316 . 1 1 33 33 LYS CE C 13 40.4 0.2 . 1 . . . . . . . . . 6242 1 317 . 1 1 33 33 LYS HE2 H 1 2.84 0.02 . 2 . . . . . . . . . 6242 1 318 . 1 1 33 33 LYS HE3 H 1 2.90 0.02 . 2 . . . . . . . . . 6242 1 319 . 1 1 33 33 LYS C C 13 177.3 0.2 . 1 . . . . . . . . . 6242 1 320 . 1 1 34 34 HIS N N 15 118.7 0.2 . 1 . . . . . . . . . 6242 1 321 . 1 1 34 34 HIS H H 1 7.74 0.02 . 1 . . . . . . . . . 6242 1 322 . 1 1 34 34 HIS CA C 13 56.0 0.2 . 1 . . . . . . . . . 6242 1 323 . 1 1 34 34 HIS HA H 1 4.30 0.02 . 1 . . . . . . . . . 6242 1 324 . 1 1 34 34 HIS CB C 13 28.1 0.2 . 1 . . . . . . . . . 6242 1 325 . 1 1 34 34 HIS HB2 H 1 3.07 0.02 . 2 . . . . . . . . . 6242 1 326 . 1 1 34 34 HIS HB3 H 1 3.22 0.02 . 2 . . . . . . . . . 6242 1 327 . 1 1 34 34 HIS C C 13 174.6 0.2 . 1 . . . . . . . . . 6242 1 328 . 1 1 35 35 GLU N N 15 121.4 0.2 . 1 . . . . . . . . . 6242 1 329 . 1 1 35 35 GLU H H 1 8.00 0.02 . 1 . . . . . . . . . 6242 1 330 . 1 1 35 35 GLU CA C 13 54.5 0.2 . 1 . . . . . . . . . 6242 1 331 . 1 1 35 35 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . . 6242 1 332 . 1 1 35 35 GLU CB C 13 27.2 0.2 . 1 . . . . . . . . . 6242 1 333 . 1 1 35 35 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . . 6242 1 334 . 1 1 35 35 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . . 6242 1 335 . 1 1 35 35 GLU CG C 13 34.7 0.2 . 1 . . . . . . . . . 6242 1 336 . 1 1 35 35 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . . 6242 1 337 . 1 1 35 35 GLU HG3 H 1 2.30 0.02 . 2 . . . . . . . . . 6242 1 338 . 1 1 35 35 GLU C C 13 175.4 0.2 . 1 . . . . . . . . . 6242 1 339 . 1 1 36 36 GLY N N 15 106.1 0.2 . 1 . . . . . . . . . 6242 1 340 . 1 1 36 36 GLY H H 1 7.53 0.02 . 1 . . . . . . . . . 6242 1 341 . 1 1 36 36 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . . 6242 1 342 . 1 1 36 36 GLY HA2 H 1 3.89 0.02 . 2 . . . . . . . . . 6242 1 343 . 1 1 36 36 GLY HA3 H 1 4.04 0.02 . 2 . . . . . . . . . 6242 1 344 . 1 1 36 36 GLY C C 13 171.8 0.2 . 1 . . . . . . . . . 6242 1 345 . 1 1 37 37 ASN N N 15 118.1 0.2 . 1 . . . . . . . . . 6242 1 346 . 1 1 37 37 ASN H H 1 7.54 0.02 . 1 . . . . . . . . . 6242 1 347 . 1 1 37 37 ASN CA C 13 49.1 0.2 . 1 . . . . . . . . . 6242 1 348 . 1 1 37 37 ASN HA H 1 5.17 0.02 . 1 . . . . . . . . . 6242 1 349 . 1 1 37 37 ASN CB C 13 37.4 0.2 . 1 . . . . . . . . . 6242 1 350 . 1 1 37 37 ASN HB2 H 1 2.54 0.02 . 2 . . . . . . . . . 6242 1 351 . 1 1 37 37 ASN HB3 H 1 2.65 0.02 . 2 . . . . . . . . . 6242 1 352 . 1 1 37 37 ASN ND2 N 15 114.4 0.2 . 1 . . . . . . . . . 6242 1 353 . 1 1 37 37 ASN HD21 H 1 6.86 0.02 . 2 . . . . . . . . . 6242 1 354 . 1 1 37 37 ASN HD22 H 1 7.67 0.02 . 2 . . . . . . . . . 6242 1 355 . 1 1 38 38 PRO CD C 13 48.6 0.2 . 1 . . . . . . . . . 6242 1 356 . 1 1 38 38 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . . 6242 1 357 . 1 1 38 38 PRO HA H 1 4.15 0.02 . 1 . . . . . . . . . 6242 1 358 . 1 1 38 38 PRO CB C 13 30.3 0.2 . 1 . . . . . . . . . 6242 1 359 . 1 1 38 38 PRO HB2 H 1 1.80 0.02 . 2 . . . . . . . . . 6242 1 360 . 1 1 38 38 PRO HB3 H 1 2.18 0.02 . 2 . . . . . . . . . 6242 1 361 . 1 1 38 38 PRO CG C 13 25.4 0.2 . 1 . . . . . . . . . 6242 1 362 . 1 1 38 38 PRO HG2 H 1 1.78 0.02 . 2 . . . . . . . . . 6242 1 363 . 1 1 38 38 PRO HG3 H 1 1.88 0.02 . 2 . . . . . . . . . 6242 1 364 . 1 1 38 38 PRO HD2 H 1 3.35 0.02 . 2 . . . . . . . . . 6242 1 365 . 1 1 38 38 PRO HD3 H 1 3.66 0.02 . 2 . . . . . . . . . 6242 1 366 . 1 1 38 38 PRO C C 13 175.8 0.2 . 1 . . . . . . . . . 6242 1 367 . 1 1 39 39 ASP N N 15 118.7 0.2 . 1 . . . . . . . . . 6242 1 368 . 1 1 39 39 ASP H H 1 7.97 0.02 . 1 . . . . . . . . . 6242 1 369 . 1 1 39 39 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . . 6242 1 370 . 1 1 39 39 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . . 6242 1 371 . 1 1 39 39 ASP CB C 13 39.1 0.2 . 1 . . . . . . . . . 6242 1 372 . 1 1 39 39 ASP HB2 H 1 2.40 0.02 . 2 . . . . . . . . . 6242 1 373 . 1 1 39 39 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . . 6242 1 374 . 1 1 39 39 ASP C C 13 173.8 0.2 . 1 . . . . . . . . . 6242 1 375 . 1 1 40 40 LEU N N 15 124.9 0.2 . 1 . . . . . . . . . 6242 1 376 . 1 1 40 40 LEU H H 1 7.32 0.02 . 1 . . . . . . . . . 6242 1 377 . 1 1 40 40 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . . 6242 1 378 . 1 1 40 40 LEU HA H 1 3.71 0.02 . 1 . . . . . . . . . 6242 1 379 . 1 1 40 40 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . . 6242 1 380 . 1 1 40 40 LEU HB2 H 1 1.22 0.02 . 2 . . . . . . . . . 6242 1 381 . 1 1 40 40 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . . 6242 1 382 . 1 1 40 40 LEU CG C 13 21.3 0.2 . 1 . . . . . . . . . 6242 1 383 . 1 1 40 40 LEU HG H 1 0.87 0.02 . 1 . . . . . . . . . 6242 1 384 . 1 1 40 40 LEU HD11 H 1 0.61 0.02 . 2 . . . . . . . . . 6242 1 385 . 1 1 40 40 LEU HD12 H 1 0.61 0.02 . 2 . . . . . . . . . 6242 1 386 . 1 1 40 40 LEU HD13 H 1 0.61 0.02 . 2 . . . . . . . . . 6242 1 387 . 1 1 40 40 LEU HD21 H 1 1.00 0.02 . 2 . . . . . . . . . 6242 1 388 . 1 1 40 40 LEU HD22 H 1 1.00 0.02 . 2 . . . . . . . . . 6242 1 389 . 1 1 40 40 LEU HD23 H 1 1.00 0.02 . 2 . . . . . . . . . 6242 1 390 . 1 1 40 40 LEU CD1 C 13 25.3 0.2 . 1 . . . . . . . . . 6242 1 391 . 1 1 40 40 LEU CD2 C 13 25.0 0.2 . 1 . . . . . . . . . 6242 1 392 . 1 1 40 40 LEU C C 13 173.7 0.2 . 1 . . . . . . . . . 6242 1 393 . 1 1 41 41 VAL N N 15 122.0 0.2 . 1 . . . . . . . . . 6242 1 394 . 1 1 41 41 VAL H H 1 8.40 0.02 . 1 . . . . . . . . . 6242 1 395 . 1 1 41 41 VAL CA C 13 57.2 0.2 . 1 . . . . . . . . . 6242 1 396 . 1 1 41 41 VAL HA H 1 4.43 0.02 . 1 . . . . . . . . . 6242 1 397 . 1 1 41 41 VAL CB C 13 34.7 0.2 . 1 . . . . . . . . . 6242 1 398 . 1 1 41 41 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . . 6242 1 399 . 1 1 41 41 VAL HG11 H 1 0.67 0.02 . 2 . . . . . . . . . 6242 1 400 . 1 1 41 41 VAL HG12 H 1 0.67 0.02 . 2 . . . . . . . . . 6242 1 401 . 1 1 41 41 VAL HG13 H 1 0.67 0.02 . 2 . . . . . . . . . 6242 1 402 . 1 1 41 41 VAL HG21 H 1 0.71 0.02 . 2 . . . . . . . . . 6242 1 403 . 1 1 41 41 VAL HG22 H 1 0.71 0.02 . 2 . . . . . . . . . 6242 1 404 . 1 1 41 41 VAL HG23 H 1 0.71 0.02 . 2 . . . . . . . . . 6242 1 405 . 1 1 41 41 VAL CG1 C 13 16.8 0.2 . 1 . . . . . . . . . 6242 1 406 . 1 1 41 41 VAL CG2 C 13 19.7 0.2 . 1 . . . . . . . . . 6242 1 407 . 1 1 41 41 VAL C C 13 172.8 0.2 . 1 . . . . . . . . . 6242 1 408 . 1 1 42 42 GLN N N 15 124.7 0.2 . 1 . . . . . . . . . 6242 1 409 . 1 1 42 42 GLN H H 1 8.71 0.02 . 1 . . . . . . . . . 6242 1 410 . 1 1 42 42 GLN CA C 13 54.6 0.2 . 1 . . . . . . . . . 6242 1 411 . 1 1 42 42 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . . 6242 1 412 . 1 1 42 42 GLN CB C 13 28.0 0.2 . 1 . . . . . . . . . 6242 1 413 . 1 1 42 42 GLN HB2 H 1 1.69 0.02 . 2 . . . . . . . . . 6242 1 414 . 1 1 42 42 GLN HB3 H 1 1.85 0.02 . 2 . . . . . . . . . 6242 1 415 . 1 1 42 42 GLN CG C 13 32.6 0.2 . 1 . . . . . . . . . 6242 1 416 . 1 1 42 42 GLN HG2 H 1 1.75 0.02 . 2 . . . . . . . . . 6242 1 417 . 1 1 42 42 GLN HG3 H 1 1.72 0.02 . 2 . . . . . . . . . 6242 1 418 . 1 1 42 42 GLN NE2 N 15 112.9 0.2 . 1 . . . . . . . . . 6242 1 419 . 1 1 42 42 GLN HE21 H 1 6.78 0.02 . 2 . . . . . . . . . 6242 1 420 . 1 1 42 42 GLN HE22 H 1 7.21 0.02 . 2 . . . . . . . . . 6242 1 421 . 1 1 42 42 GLN C C 13 174.4 0.2 . 1 . . . . . . . . . 6242 1 422 . 1 1 43 43 VAL N N 15 126.9 0.2 . 1 . . . . . . . . . 6242 1 423 . 1 1 43 43 VAL H H 1 9.04 0.02 . 1 . . . . . . . . . 6242 1 424 . 1 1 43 43 VAL CA C 13 61.9 0.2 . 1 . . . . . . . . . 6242 1 425 . 1 1 43 43 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . . 6242 1 426 . 1 1 43 43 VAL CB C 13 30.9 0.2 . 1 . . . . . . . . . 6242 1 427 . 1 1 43 43 VAL HB H 1 1.74 0.02 . 1 . . . . . . . . . 6242 1 428 . 1 1 43 43 VAL HG11 H 1 0.66 0.02 . 2 . . . . . . . . . 6242 1 429 . 1 1 43 43 VAL HG12 H 1 0.66 0.02 . 2 . . . . . . . . . 6242 1 430 . 1 1 43 43 VAL HG13 H 1 0.66 0.02 . 2 . . . . . . . . . 6242 1 431 . 1 1 43 43 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . . 6242 1 432 . 1 1 43 43 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . . 6242 1 433 . 1 1 43 43 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . . 6242 1 434 . 1 1 43 43 VAL CG1 C 13 18.6 0.2 . 1 . . . . . . . . . 6242 1 435 . 1 1 43 43 VAL CG2 C 13 20.2 0.2 . 1 . . . . . . . . . 6242 1 436 . 1 1 43 43 VAL C C 13 174.6 0.2 . 1 . . . . . . . . . 6242 1 437 . 1 1 44 44 HIS N N 15 111.6 0.2 . 1 . . . . . . . . . 6242 1 438 . 1 1 44 44 HIS H H 1 7.02 0.02 . 1 . . . . . . . . . 6242 1 439 . 1 1 44 44 HIS CA C 13 53.5 0.2 . 1 . . . . . . . . . 6242 1 440 . 1 1 44 44 HIS HA H 1 4.87 0.02 . 1 . . . . . . . . . 6242 1 441 . 1 1 44 44 HIS CB C 13 28.0 0.2 . 1 . . . . . . . . . 6242 1 442 . 1 1 44 44 HIS HB2 H 1 3.18 0.02 . 2 . . . . . . . . . 6242 1 443 . 1 1 44 44 HIS HB3 H 1 3.59 0.02 . 2 . . . . . . . . . 6242 1 444 . 1 1 44 44 HIS C C 13 171.8 0.2 . 1 . . . . . . . . . 6242 1 445 . 1 1 45 45 GLU N N 15 121.6 0.2 . 1 . . . . . . . . . 6242 1 446 . 1 1 45 45 GLU H H 1 9.18 0.02 . 1 . . . . . . . . . 6242 1 447 . 1 1 45 45 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . . 6242 1 448 . 1 1 45 45 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . . 6242 1 449 . 1 1 45 45 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . . 6242 1 450 . 1 1 45 45 GLU HB2 H 1 1.99 0.02 . 2 . . . . . . . . . 6242 1 451 . 1 1 45 45 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . . 6242 1 452 . 1 1 45 45 GLU CG C 13 35.4 0.2 . 1 . . . . . . . . . 6242 1 453 . 1 1 45 45 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . . 6242 1 454 . 1 1 45 45 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . . 6242 1 455 . 1 1 45 45 GLU C C 13 176.8 0.2 . 1 . . . . . . . . . 6242 1 456 . 1 1 46 46 GLY N N 15 116.5 0.2 . 1 . . . . . . . . . 6242 1 457 . 1 1 46 46 GLY H H 1 8.38 0.02 . 1 . . . . . . . . . 6242 1 458 . 1 1 46 46 GLY CA C 13 43.1 0.2 . 1 . . . . . . . . . 6242 1 459 . 1 1 46 46 GLY HA2 H 1 3.52 0.02 . 2 . . . . . . . . . 6242 1 460 . 1 1 46 46 GLY HA3 H 1 4.38 0.02 . 2 . . . . . . . . . 6242 1 461 . 1 1 47 47 PRO CD C 13 47.3 0.2 . 1 . . . . . . . . . 6242 1 462 . 1 1 47 47 PRO CA C 13 60.7 0.2 . 1 . . . . . . . . . 6242 1 463 . 1 1 47 47 PRO HA H 1 4.14 0.02 . 1 . . . . . . . . . 6242 1 464 . 1 1 47 47 PRO CB C 13 30.7 0.2 . 1 . . . . . . . . . 6242 1 465 . 1 1 47 47 PRO HB2 H 1 1.89 0.02 . 1 . . . . . . . . . 6242 1 466 . 1 1 47 47 PRO HB3 H 1 1.89 0.02 . 1 . . . . . . . . . 6242 1 467 . 1 1 47 47 PRO CG C 13 25.7 0.2 . 1 . . . . . . . . . 6242 1 468 . 1 1 47 47 PRO HG2 H 1 1.69 0.02 . 2 . . . . . . . . . 6242 1 469 . 1 1 47 47 PRO HG3 H 1 1.80 0.02 . 2 . . . . . . . . . 6242 1 470 . 1 1 47 47 PRO HD2 H 1 3.17 0.02 . 2 . . . . . . . . . 6242 1 471 . 1 1 47 47 PRO HD3 H 1 3.45 0.02 . 2 . . . . . . . . . 6242 1 472 . 1 1 47 47 PRO C C 13 174.5 0.2 . 1 . . . . . . . . . 6242 1 473 . 1 1 48 48 CYS N N 15 123.7 0.2 . 1 . . . . . . . . . 6242 1 474 . 1 1 48 48 CYS H H 1 8.21 0.02 . 1 . . . . . . . . . 6242 1 475 . 1 1 48 48 CYS CA C 13 54.0 0.2 . 1 . . . . . . . . . 6242 1 476 . 1 1 48 48 CYS HA H 1 3.82 0.02 . 1 . . . . . . . . . 6242 1 477 . 1 1 48 48 CYS CB C 13 28.4 0.2 . 1 . . . . . . . . . 6242 1 478 . 1 1 48 48 CYS HB2 H 1 2.10 0.02 . 2 . . . . . . . . . 6242 1 479 . 1 1 48 48 CYS HB3 H 1 2.08 0.02 . 2 . . . . . . . . . 6242 1 480 . 1 1 48 48 CYS C C 13 176.3 0.2 . 1 . . . . . . . . . 6242 1 481 . 1 1 49 49 ASP N N 15 120.0 0.2 . 1 . . . . . . . . . 6242 1 482 . 1 1 49 49 ASP H H 1 8.21 0.02 . 1 . . . . . . . . . 6242 1 483 . 1 1 49 49 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . . 6242 1 484 . 1 1 49 49 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . . 6242 1 485 . 1 1 49 49 ASP CB C 13 36.4 0.2 . 1 . . . . . . . . . 6242 1 486 . 1 1 49 49 ASP HB2 H 1 2.37 0.02 . 2 . . . . . . . . . 6242 1 487 . 1 1 49 49 ASP HB3 H 1 2.86 0.02 . 2 . . . . . . . . . 6242 1 488 . 1 1 57 57 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . . 6242 1 489 . 1 1 57 57 ASP HA H 1 4.29 0.02 . 1 . . . . . . . . . 6242 1 490 . 1 1 57 57 ASP CB C 13 36.5 0.2 . 1 . . . . . . . . . 6242 1 491 . 1 1 57 57 ASP HB2 H 1 2.53 0.02 . 2 . . . . . . . . . 6242 1 492 . 1 1 57 57 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . . 6242 1 493 . 1 1 57 57 ASP C C 13 173.4 0.2 . 1 . . . . . . . . . 6242 1 494 . 1 1 58 58 THR N N 15 120.7 0.2 . 1 . . . . . . . . . 6242 1 495 . 1 1 58 58 THR H H 1 8.16 0.02 . 1 . . . . . . . . . 6242 1 496 . 1 1 58 58 THR CA C 13 60.5 0.2 . 1 . . . . . . . . . 6242 1 497 . 1 1 58 58 THR HA H 1 4.01 0.02 . 1 . . . . . . . . . 6242 1 498 . 1 1 58 58 THR CB C 13 67.8 0.2 . 1 . . . . . . . . . 6242 1 499 . 1 1 58 58 THR HB H 1 4.10 0.02 . 1 . . . . . . . . . 6242 1 500 . 1 1 58 58 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . . 6242 1 501 . 1 1 58 58 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . . 6242 1 502 . 1 1 58 58 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . . 6242 1 503 . 1 1 58 58 THR CG2 C 13 20.1 0.2 . 1 . . . . . . . . . 6242 1 504 . 1 1 58 58 THR C C 13 174.9 0.2 . 1 . . . . . . . . . 6242 1 505 . 1 1 59 59 CYS N N 15 115.9 0.2 . 1 . . . . . . . . . 6242 1 506 . 1 1 59 59 CYS H H 1 8.02 0.02 . 1 . . . . . . . . . 6242 1 507 . 1 1 59 59 CYS CA C 13 52.7 0.2 . 1 . . . . . . . . . 6242 1 508 . 1 1 59 59 CYS HA H 1 4.32 0.02 . 1 . . . . . . . . . 6242 1 509 . 1 1 59 59 CYS CB C 13 39.4 0.2 . 1 . . . . . . . . . 6242 1 510 . 1 1 59 59 CYS HB2 H 1 2.75 0.02 . 2 . . . . . . . . . 6242 1 511 . 1 1 59 59 CYS HB3 H 1 2.45 0.02 . 2 . . . . . . . . . 6242 1 512 . 1 1 59 59 CYS C C 13 174.3 0.2 . 1 . . . . . . . . . 6242 1 513 . 1 1 60 60 GLN N N 15 123.1 0.2 . 1 . . . . . . . . . 6242 1 514 . 1 1 60 60 GLN H H 1 8.28 0.02 . 1 . . . . . . . . . 6242 1 515 . 1 1 60 60 GLN CA C 13 53.6 0.2 . 1 . . . . . . . . . 6242 1 516 . 1 1 60 60 GLN HA H 1 4.14 0.02 . 1 . . . . . . . . . 6242 1 517 . 1 1 60 60 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . . 6242 1 518 . 1 1 60 60 GLN HB2 H 1 1.87 0.02 . 2 . . . . . . . . . 6242 1 519 . 1 1 60 60 GLN HB3 H 1 1.76 0.02 . 2 . . . . . . . . . 6242 1 520 . 1 1 60 60 GLN CG C 13 31.9 0.2 . 1 . . . . . . . . . 6242 1 521 . 1 1 60 60 GLN HG2 H 1 2.10 0.02 . 1 . . . . . . . . . 6242 1 522 . 1 1 60 60 GLN HG3 H 1 2.10 0.02 . 1 . . . . . . . . . 6242 1 523 . 1 1 60 60 GLN NE2 N 15 114.4 0.2 . 1 . . . . . . . . . 6242 1 524 . 1 1 60 60 GLN HE21 H 1 6.69 0.02 . 2 . . . . . . . . . 6242 1 525 . 1 1 60 60 GLN HE22 H 1 7.41 0.02 . 2 . . . . . . . . . 6242 1 526 . 1 1 60 60 GLN C C 13 173.6 0.2 . 2 . . . . . . . . . 6242 1 527 . 1 1 61 61 CYS N N 15 120.8 0.2 . 1 . . . . . . . . . 6242 1 528 . 1 1 61 61 CYS H H 1 7.88 0.02 . 1 . . . . . . . . . 6242 1 529 . 1 1 61 61 CYS CA C 13 51.2 0.2 . 1 . . . . . . . . . 6242 1 530 . 1 1 61 61 CYS HA H 1 4.75 0.02 . 1 . . . . . . . . . 6242 1 531 . 1 1 61 61 CYS CB C 13 38.7 0.2 . 1 . . . . . . . . . 6242 1 532 . 1 1 61 61 CYS HB2 H 1 2.96 0.02 . 2 . . . . . . . . . 6242 1 533 . 1 1 61 61 CYS HB3 H 1 1.92 0.02 . 2 . . . . . . . . . 6242 1 534 . 1 1 61 61 CYS C C 13 173.8 0.2 . 1 . . . . . . . . . 6242 1 535 . 1 1 62 62 ASP N N 15 123.5 0.2 . 1 . . . . . . . . . 6242 1 536 . 1 1 62 62 ASP H H 1 8.63 0.02 . 1 . . . . . . . . . 6242 1 537 . 1 1 62 62 ASP CA C 13 51.5 0.2 . 1 . . . . . . . . . 6242 1 538 . 1 1 62 62 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . . 6242 1 539 . 1 1 62 62 ASP CB C 13 39.8 0.2 . 1 . . . . . . . . . 6242 1 540 . 1 1 62 62 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . . 6242 1 541 . 1 1 62 62 ASP HB3 H 1 2.93 0.02 . 2 . . . . . . . . . 6242 1 542 . 1 1 62 62 ASP C C 13 174.2 0.2 . 1 . . . . . . . . . 6242 1 543 . 1 1 63 63 ASP N N 15 119.4 0.2 . 1 . . . . . . . . . 6242 1 544 . 1 1 63 63 ASP H H 1 8.24 0.02 . 1 . . . . . . . . . 6242 1 545 . 1 1 63 63 ASP CA C 13 51.8 0.2 . 1 . . . . . . . . . 6242 1 546 . 1 1 63 63 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . . 6242 1 547 . 1 1 63 63 ASP CB C 13 39.7 0.2 . 1 . . . . . . . . . 6242 1 548 . 1 1 63 63 ASP HB2 H 1 2.60 0.02 . 1 . . . . . . . . . 6242 1 549 . 1 1 63 63 ASP HB3 H 1 2.60 0.02 . 1 . . . . . . . . . 6242 1 550 . 1 1 63 63 ASP C C 13 175.4 0.2 . 1 . . . . . . . . . 6242 1 551 . 1 1 64 64 THR N N 15 119.4 0.2 . 1 . . . . . . . . . 6242 1 552 . 1 1 64 64 THR H H 1 7.93 0.02 . 1 . . . . . . . . . 6242 1 553 . 1 1 64 64 THR CA C 13 62.8 0.2 . 1 . . . . . . . . . 6242 1 554 . 1 1 64 64 THR HA H 1 3.71 0.02 . 1 . . . . . . . . . 6242 1 555 . 1 1 64 64 THR CB C 13 67.5 0.2 . 1 . . . . . . . . . 6242 1 556 . 1 1 64 64 THR HB H 1 3.93 0.02 . 1 . . . . . . . . . 6242 1 557 . 1 1 64 64 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . . 6242 1 558 . 1 1 64 64 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . . 6242 1 559 . 1 1 64 64 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . . 6242 1 560 . 1 1 64 64 THR CG2 C 13 20.0 0.2 . 1 . . . . . . . . . 6242 1 561 . 1 1 64 64 THR C C 13 172.4 0.2 . 1 . . . . . . . . . 6242 1 562 . 1 1 65 65 PHE N N 15 129.0 0.2 . 1 . . . . . . . . . 6242 1 563 . 1 1 65 65 PHE H H 1 8.96 0.02 . 1 . . . . . . . . . 6242 1 564 . 1 1 65 65 PHE CA C 13 56.1 0.2 . 1 . . . . . . . . . 6242 1 565 . 1 1 65 65 PHE HA H 1 4.51 0.02 . 1 . . . . . . . . . 6242 1 566 . 1 1 65 65 PHE CB C 13 36.7 0.2 . 1 . . . . . . . . . 6242 1 567 . 1 1 65 65 PHE HB2 H 1 2.84 0.02 . 2 . . . . . . . . . 6242 1 568 . 1 1 65 65 PHE HB3 H 1 3.10 0.02 . 2 . . . . . . . . . 6242 1 569 . 1 1 65 65 PHE C C 13 172.2 0.2 . 1 . . . . . . . . . 6242 1 570 . 1 1 66 66 GLN N N 15 131.1 0.2 . 1 . . . . . . . . . 6242 1 571 . 1 1 66 66 GLN H H 1 8.42 0.02 . 1 . . . . . . . . . 6242 1 572 . 1 1 66 66 GLN CA C 13 52.1 0.2 . 1 . . . . . . . . . 6242 1 573 . 1 1 66 66 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . . 6242 1 574 . 1 1 66 66 GLN CB C 13 27.4 0.2 . 1 . . . . . . . . . 6242 1 575 . 1 1 66 66 GLN HB2 H 1 1.75 0.02 . 2 . . . . . . . . . 6242 1 576 . 1 1 66 66 GLN HB3 H 1 1.86 0.02 . 2 . . . . . . . . . 6242 1 577 . 1 1 66 66 GLN CG C 13 32.3 0.2 . 1 . . . . . . . . . 6242 1 578 . 1 1 66 66 GLN HG2 H 1 2.08 0.02 . 2 . . . . . . . . . 6242 1 579 . 1 1 66 66 GLN HG3 H 1 2.18 0.02 . 2 . . . . . . . . . 6242 1 580 . 1 1 66 66 GLN NE2 N 15 114.2 0.2 . 1 . . . . . . . . . 6242 1 581 . 1 1 66 66 GLN HE21 H 1 6.76 0.02 . 2 . . . . . . . . . 6242 1 582 . 1 1 66 66 GLN HE22 H 1 7.58 0.02 . 2 . . . . . . . . . 6242 1 583 . 1 1 67 67 PRO CD C 13 47.6 0.2 . 1 . . . . . . . . . 6242 1 584 . 1 1 67 67 PRO CA C 13 61.1 0.2 . 1 . . . . . . . . . 6242 1 585 . 1 1 67 67 PRO HA H 1 4.32 0.02 . 1 . . . . . . . . . 6242 1 586 . 1 1 67 67 PRO CB C 13 31.0 0.2 . 1 . . . . . . . . . 6242 1 587 . 1 1 67 67 PRO HB2 H 1 1.09 0.02 . 2 . . . . . . . . . 6242 1 588 . 1 1 67 67 PRO HB3 H 1 1.54 0.02 . 2 . . . . . . . . . 6242 1 589 . 1 1 67 67 PRO CG C 13 26.0 0.2 . 1 . . . . . . . . . 6242 1 590 . 1 1 67 67 PRO HG2 H 1 1.32 0.02 . 2 . . . . . . . . . 6242 1 591 . 1 1 67 67 PRO HG3 H 1 1.41 0.02 . 2 . . . . . . . . . 6242 1 592 . 1 1 67 67 PRO HD2 H 1 1.44 0.02 . 2 . . . . . . . . . 6242 1 593 . 1 1 67 67 PRO HD3 H 1 2.98 0.02 . 2 . . . . . . . . . 6242 1 594 . 1 1 67 67 PRO C C 13 175.5 0.2 . 1 . . . . . . . . . 6242 1 595 . 1 1 68 68 VAL N N 15 113.6 0.2 . 1 . . . . . . . . . 6242 1 596 . 1 1 68 68 VAL H H 1 8.04 0.02 . 1 . . . . . . . . . 6242 1 597 . 1 1 68 68 VAL CA C 13 58.1 0.2 . 1 . . . . . . . . . 6242 1 598 . 1 1 68 68 VAL HA H 1 4.38 0.02 . 1 . . . . . . . . . 6242 1 599 . 1 1 68 68 VAL CB C 13 33.9 0.2 . 1 . . . . . . . . . 6242 1 600 . 1 1 68 68 VAL HB H 1 1.78 0.02 . 1 . . . . . . . . . 6242 1 601 . 1 1 68 68 VAL HG11 H 1 0.60 0.02 . 2 . . . . . . . . . 6242 1 602 . 1 1 68 68 VAL HG12 H 1 0.60 0.02 . 2 . . . . . . . . . 6242 1 603 . 1 1 68 68 VAL HG13 H 1 0.60 0.02 . 2 . . . . . . . . . 6242 1 604 . 1 1 68 68 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . . 6242 1 605 . 1 1 68 68 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . . 6242 1 606 . 1 1 68 68 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . . 6242 1 607 . 1 1 68 68 VAL CG1 C 13 18.9 0.2 . 1 . . . . . . . . . 6242 1 608 . 1 1 68 68 VAL CG2 C 13 20.7 0.2 . 1 . . . . . . . . . 6242 1 609 . 1 1 68 68 VAL C C 13 170.3 0.2 . 1 . . . . . . . . . 6242 1 610 . 1 1 69 69 CYS N N 15 124.7 0.2 . 1 . . . . . . . . . 6242 1 611 . 1 1 69 69 CYS H H 1 8.38 0.02 . 1 . . . . . . . . . 6242 1 612 . 1 1 69 69 CYS CA C 13 52.2 0.2 . 1 . . . . . . . . . 6242 1 613 . 1 1 69 69 CYS HA H 1 4.98 0.02 . 1 . . . . . . . . . 6242 1 614 . 1 1 69 69 CYS CB C 13 37.6 0.2 . 1 . . . . . . . . . 6242 1 615 . 1 1 69 69 CYS HB2 H 1 1.18 0.02 . 2 . . . . . . . . . 6242 1 616 . 1 1 69 69 CYS HB3 H 1 2.26 0.02 . 2 . . . . . . . . . 6242 1 617 . 1 1 69 69 CYS C C 13 174.3 0.2 . 1 . . . . . . . . . 6242 1 618 . 1 1 70 70 GLY N N 15 117.9 0.2 . 1 . . . . . . . . . 6242 1 619 . 1 1 70 70 GLY H H 1 9.39 0.02 . 1 . . . . . . . . . 6242 1 620 . 1 1 70 70 GLY CA C 13 43.6 0.2 . 1 . . . . . . . . . 6242 1 621 . 1 1 70 70 GLY HA2 H 1 4.01 0.02 . 2 . . . . . . . . . 6242 1 622 . 1 1 70 70 GLY HA3 H 1 4.41 0.02 . 2 . . . . . . . . . 6242 1 623 . 1 1 70 70 GLY C C 13 172.8 0.2 . 1 . . . . . . . . . 6242 1 624 . 1 1 71 71 ASP N N 15 122.4 0.2 . 1 . . . . . . . . . 6242 1 625 . 1 1 71 71 ASP H H 1 9.10 0.02 . 1 . . . . . . . . . 6242 1 626 . 1 1 71 71 ASP CA C 13 53.2 0.2 . 1 . . . . . . . . . 6242 1 627 . 1 1 71 71 ASP HA H 1 4.13 0.02 . 1 . . . . . . . . . 6242 1 628 . 1 1 71 71 ASP CB C 13 36.4 0.2 . 1 . . . . . . . . . 6242 1 629 . 1 1 71 71 ASP HB2 H 1 2.29 0.02 . 2 . . . . . . . . . 6242 1 630 . 1 1 71 71 ASP HB3 H 1 2.96 0.02 . 2 . . . . . . . . . 6242 1 631 . 1 1 71 71 ASP C C 13 173.3 0.2 . 1 . . . . . . . . . 6242 1 632 . 1 1 72 72 ASP N N 15 120.8 0.2 . 1 . . . . . . . . . 6242 1 633 . 1 1 72 72 ASP H H 1 8.15 0.02 . 1 . . . . . . . . . 6242 1 634 . 1 1 72 72 ASP CA C 13 51.3 0.2 . 1 . . . . . . . . . 6242 1 635 . 1 1 72 72 ASP HA H 1 4.27 0.02 . 1 . . . . . . . . . 6242 1 636 . 1 1 72 72 ASP CB C 13 38.2 0.2 . 1 . . . . . . . . . 6242 1 637 . 1 1 72 72 ASP HB2 H 1 2.32 0.02 . 2 . . . . . . . . . 6242 1 638 . 1 1 72 72 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . . 6242 1 639 . 1 1 72 72 ASP C C 13 174.2 0.2 . 1 . . . . . . . . . 6242 1 640 . 1 1 73 73 GLU N N 15 114.8 0.2 . 1 . . . . . . . . . 6242 1 641 . 1 1 73 73 GLU H H 1 8.26 0.02 . 1 . . . . . . . . . 6242 1 642 . 1 1 73 73 GLU CA C 13 56.1 0.2 . 1 . . . . . . . . . 6242 1 643 . 1 1 73 73 GLU HA H 1 3.79 0.02 . 1 . . . . . . . . . 6242 1 644 . 1 1 73 73 GLU CB C 13 24.8 0.2 . 1 . . . . . . . . . 6242 1 645 . 1 1 73 73 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . . 6242 1 646 . 1 1 73 73 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . . 6242 1 647 . 1 1 73 73 GLU CG C 13 34.9 0.2 . 1 . . . . . . . . . 6242 1 648 . 1 1 73 73 GLU HG2 H 1 2.09 0.02 . 1 . . . . . . . . . 6242 1 649 . 1 1 73 73 GLU HG3 H 1 2.09 0.02 . 1 . . . . . . . . . 6242 1 650 . 1 1 73 73 GLU C C 13 173.5 0.2 . 1 . . . . . . . . . 6242 1 651 . 1 1 74 74 ILE N N 15 123.7 0.2 . 1 . . . . . . . . . 6242 1 652 . 1 1 74 74 ILE H H 1 7.72 0.02 . 1 . . . . . . . . . 6242 1 653 . 1 1 74 74 ILE CA C 13 58.1 0.2 . 1 . . . . . . . . . 6242 1 654 . 1 1 74 74 ILE HA H 1 3.83 0.02 . 1 . . . . . . . . . 6242 1 655 . 1 1 74 74 ILE CB C 13 36.1 0.2 . 1 . . . . . . . . . 6242 1 656 . 1 1 74 74 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . . 6242 1 657 . 1 1 74 74 ILE HG21 H 1 0.58 0.02 . 1 . . . . . . . . . 6242 1 658 . 1 1 74 74 ILE HG22 H 1 0.58 0.02 . 1 . . . . . . . . . 6242 1 659 . 1 1 74 74 ILE HG23 H 1 0.58 0.02 . 1 . . . . . . . . . 6242 1 660 . 1 1 74 74 ILE CG2 C 13 10.0 0.2 . 1 . . . . . . . . . 6242 1 661 . 1 1 74 74 ILE CG1 C 13 26.0 0.2 . 1 . . . . . . . . . 6242 1 662 . 1 1 74 74 ILE HG12 H 1 1.12 0.02 . 1 . . . . . . . . . 6242 1 663 . 1 1 74 74 ILE HG13 H 1 1.12 0.02 . 1 . . . . . . . . . 6242 1 664 . 1 1 74 74 ILE HD11 H 1 -0.16 0.02 . 1 . . . . . . . . . 6242 1 665 . 1 1 74 74 ILE HD12 H 1 -0.16 0.02 . 1 . . . . . . . . . 6242 1 666 . 1 1 74 74 ILE HD13 H 1 -0.16 0.02 . 1 . . . . . . . . . 6242 1 667 . 1 1 74 74 ILE CD1 C 13 14.0 0.2 . 1 . . . . . . . . . 6242 1 668 . 1 1 74 74 ILE C C 13 173.2 0.2 . 1 . . . . . . . . . 6242 1 669 . 1 1 75 75 THR N N 15 124.9 0.2 . 1 . . . . . . . . . 6242 1 670 . 1 1 75 75 THR H H 1 7.98 0.02 . 1 . . . . . . . . . 6242 1 671 . 1 1 75 75 THR CA C 13 60.7 0.2 . 1 . . . . . . . . . 6242 1 672 . 1 1 75 75 THR HA H 1 4.54 0.02 . 1 . . . . . . . . . 6242 1 673 . 1 1 75 75 THR CB C 13 67.6 0.2 . 1 . . . . . . . . . 6242 1 674 . 1 1 75 75 THR HB H 1 3.83 0.02 . 1 . . . . . . . . . 6242 1 675 . 1 1 75 75 THR HG21 H 1 0.98 0.02 . 1 . . . . . . . . . 6242 1 676 . 1 1 75 75 THR HG22 H 1 0.98 0.02 . 1 . . . . . . . . . 6242 1 677 . 1 1 75 75 THR HG23 H 1 0.98 0.02 . 1 . . . . . . . . . 6242 1 678 . 1 1 75 75 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . . 6242 1 679 . 1 1 75 75 THR C C 13 172.8 0.2 . 1 . . . . . . . . . 6242 1 680 . 1 1 76 76 TYR N N 15 130.9 0.2 . 1 . . . . . . . . . 6242 1 681 . 1 1 76 76 TYR H H 1 9.31 0.02 . 1 . . . . . . . . . 6242 1 682 . 1 1 76 76 TYR CA C 13 56.1 0.2 . 1 . . . . . . . . . 6242 1 683 . 1 1 76 76 TYR HA H 1 4.32 0.02 . 1 . . . . . . . . . 6242 1 684 . 1 1 76 76 TYR CB C 13 39.7 0.2 . 1 . . . . . . . . . 6242 1 685 . 1 1 76 76 TYR HB2 H 1 2.58 0.02 . 2 . . . . . . . . . 6242 1 686 . 1 1 76 76 TYR HB3 H 1 2.63 0.02 . 2 . . . . . . . . . 6242 1 687 . 1 1 76 76 TYR C C 13 176.9 0.2 . 1 . . . . . . . . . 6242 1 688 . 1 1 77 77 ARG N N 15 117.3 0.2 . 1 . . . . . . . . . 6242 1 689 . 1 1 77 77 ARG H H 1 8.57 0.02 . 1 . . . . . . . . . 6242 1 690 . 1 1 77 77 ARG CA C 13 57.7 0.2 . 1 . . . . . . . . . 6242 1 691 . 1 1 77 77 ARG HA H 1 3.57 0.02 . 1 . . . . . . . . . 6242 1 692 . 1 1 77 77 ARG CB C 13 28.9 0.2 . 1 . . . . . . . . . 6242 1 693 . 1 1 77 77 ARG HB2 H 1 1.44 0.02 . 2 . . . . . . . . . 6242 1 694 . 1 1 77 77 ARG HB3 H 1 0.87 0.02 . 2 . . . . . . . . . 6242 1 695 . 1 1 77 77 ARG CG C 13 25.8 0.2 . 1 . . . . . . . . . 6242 1 696 . 1 1 77 77 ARG HG2 H 1 1.42 0.02 . 2 . . . . . . . . . 6242 1 697 . 1 1 77 77 ARG HG3 H 1 1.54 0.02 . 2 . . . . . . . . . 6242 1 698 . 1 1 77 77 ARG CD C 13 41.6 0.2 . 1 . . . . . . . . . 6242 1 699 . 1 1 77 77 ARG HD2 H 1 2.79 0.02 . 2 . . . . . . . . . 6242 1 700 . 1 1 77 77 ARG HD3 H 1 2.95 0.02 . 2 . . . . . . . . . 6242 1 701 . 1 1 77 77 ARG C C 13 172.9 0.2 . 1 . . . . . . . . . 6242 1 702 . 1 1 78 78 ASN N N 15 103.7 0.2 . 1 . . . . . . . . . 6242 1 703 . 1 1 78 78 ASN H H 1 7.09 0.02 . 1 . . . . . . . . . 6242 1 704 . 1 1 78 78 ASN CA C 13 49.9 0.2 . 1 . . . . . . . . . 6242 1 705 . 1 1 78 78 ASN HA H 1 4.74 0.02 . 1 . . . . . . . . . 6242 1 706 . 1 1 78 78 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . . 6242 1 707 . 1 1 78 78 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . . 6242 1 708 . 1 1 78 78 ASN HB3 H 1 3.31 0.02 . 2 . . . . . . . . . 6242 1 709 . 1 1 78 78 ASN C C 13 174.4 0.2 . 1 . . . . . . . . . 6242 1 710 . 1 1 79 79 LEU N N 15 121.6 0.2 . 1 . . . . . . . . . 6242 1 711 . 1 1 79 79 LEU H H 1 8.87 0.02 . 1 . . . . . . . . . 6242 1 712 . 1 1 79 79 LEU CA C 13 56.3 0.2 . 1 . . . . . . . . . 6242 1 713 . 1 1 79 79 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . . 6242 1 714 . 1 1 79 79 LEU CB C 13 40.1 0.2 . 1 . . . . . . . . . 6242 1 715 . 1 1 79 79 LEU HB2 H 1 1.41 0.02 . 2 . . . . . . . . . 6242 1 716 . 1 1 79 79 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . . 6242 1 717 . 1 1 79 79 LEU CG C 13 24.9 0.2 . 1 . . . . . . . . . 6242 1 718 . 1 1 79 79 LEU HG H 1 1.46 0.02 . 1 . . . . . . . . . 6242 1 719 . 1 1 79 79 LEU HD11 H 1 0.75 0.02 . 2 . . . . . . . . . 6242 1 720 . 1 1 79 79 LEU HD12 H 1 0.75 0.02 . 2 . . . . . . . . . 6242 1 721 . 1 1 79 79 LEU HD13 H 1 0.75 0.02 . 2 . . . . . . . . . 6242 1 722 . 1 1 79 79 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . . 6242 1 723 . 1 1 79 79 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . . 6242 1 724 . 1 1 79 79 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . . 6242 1 725 . 1 1 79 79 LEU CD1 C 13 23.8 0.2 . 1 . . . . . . . . . 6242 1 726 . 1 1 79 79 LEU CD2 C 13 21.9 0.2 . 1 . . . . . . . . . 6242 1 727 . 1 1 79 79 LEU C C 13 175.2 0.2 . 1 . . . . . . . . . 6242 1 728 . 1 1 80 80 CYS N N 15 121.0 0.2 . 1 . . . . . . . . . 6242 1 729 . 1 1 80 80 CYS H H 1 8.30 0.02 . 1 . . . . . . . . . 6242 1 730 . 1 1 80 80 CYS CA C 13 58.7 0.2 . 1 . . . . . . . . . 6242 1 731 . 1 1 80 80 CYS HA H 1 4.18 0.02 . 1 . . . . . . . . . 6242 1 732 . 1 1 80 80 CYS CB C 13 34.0 0.2 . 1 . . . . . . . . . 6242 1 733 . 1 1 80 80 CYS HB2 H 1 2.80 0.02 . 2 . . . . . . . . . 6242 1 734 . 1 1 80 80 CYS HB3 H 1 3.30 0.02 . 2 . . . . . . . . . 6242 1 735 . 1 1 80 80 CYS C C 13 176.0 0.2 . 1 . . . . . . . . . 6242 1 736 . 1 1 81 81 HIS N N 15 120.2 0.2 . 1 . . . . . . . . . 6242 1 737 . 1 1 81 81 HIS H H 1 8.07 0.02 . 1 . . . . . . . . . 6242 1 738 . 1 1 81 81 HIS CA C 13 59.1 0.2 . 1 . . . . . . . . . 6242 1 739 . 1 1 81 81 HIS HA H 1 3.94 0.02 . 1 . . . . . . . . . 6242 1 740 . 1 1 81 81 HIS CB C 13 28.7 0.2 . 1 . . . . . . . . . 6242 1 741 . 1 1 81 81 HIS HB2 H 1 3.34 0.02 . 2 . . . . . . . . . 6242 1 742 . 1 1 81 81 HIS HB3 H 1 3.22 0.02 . 2 . . . . . . . . . 6242 1 743 . 1 1 81 81 HIS C C 13 176.6 0.2 . 1 . . . . . . . . . 6242 1 744 . 1 1 82 82 LEU N N 15 126.3 0.2 . 1 . . . . . . . . . 6242 1 745 . 1 1 82 82 LEU H H 1 7.20 0.02 . 1 . . . . . . . . . 6242 1 746 . 1 1 82 82 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . . 6242 1 747 . 1 1 82 82 LEU HA H 1 2.54 0.02 . 1 . . . . . . . . . 6242 1 748 . 1 1 82 82 LEU CB C 13 38.9 0.2 . 1 . . . . . . . . . 6242 1 749 . 1 1 82 82 LEU HB2 H 1 0.84 0.02 . 2 . . . . . . . . . 6242 1 750 . 1 1 82 82 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . . 6242 1 751 . 1 1 82 82 LEU CG C 13 25.4 0.2 . 1 . . . . . . . . . 6242 1 752 . 1 1 82 82 LEU HG H 1 0.81 0.02 . 1 . . . . . . . . . 6242 1 753 . 1 1 82 82 LEU HD11 H 1 0.34 0.02 . 2 . . . . . . . . . 6242 1 754 . 1 1 82 82 LEU HD12 H 1 0.34 0.02 . 2 . . . . . . . . . 6242 1 755 . 1 1 82 82 LEU HD13 H 1 0.34 0.02 . 2 . . . . . . . . . 6242 1 756 . 1 1 82 82 LEU HD21 H 1 0.46 0.02 . 2 . . . . . . . . . 6242 1 757 . 1 1 82 82 LEU HD22 H 1 0.46 0.02 . 2 . . . . . . . . . 6242 1 758 . 1 1 82 82 LEU HD23 H 1 0.46 0.02 . 2 . . . . . . . . . 6242 1 759 . 1 1 82 82 LEU CD1 C 13 23.0 0.2 . 1 . . . . . . . . . 6242 1 760 . 1 1 82 82 LEU CD2 C 13 26.1 0.2 . 1 . . . . . . . . . 6242 1 761 . 1 1 82 82 LEU C C 13 175.6 0.2 . 1 . . . . . . . . . 6242 1 762 . 1 1 83 83 GLU N N 15 120.4 0.2 . 1 . . . . . . . . . 6242 1 763 . 1 1 83 83 GLU H H 1 8.39 0.02 . 1 . . . . . . . . . 6242 1 764 . 1 1 83 83 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . . 6242 1 765 . 1 1 83 83 GLU HA H 1 3.63 0.02 . 1 . . . . . . . . . 6242 1 766 . 1 1 83 83 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . . 6242 1 767 . 1 1 83 83 GLU HB2 H 1 1.81 0.02 . 2 . . . . . . . . . 6242 1 768 . 1 1 83 83 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 6242 1 769 . 1 1 83 83 GLU CG C 13 35.2 0.2 . 1 . . . . . . . . . 6242 1 770 . 1 1 83 83 GLU HG2 H 1 1.95 0.02 . 2 . . . . . . . . . 6242 1 771 . 1 1 83 83 GLU HG3 H 1 2.30 0.02 . 2 . . . . . . . . . 6242 1 772 . 1 1 83 83 GLU C C 13 177.5 0.2 . 1 . . . . . . . . . 6242 1 773 . 1 1 84 84 CYS N N 15 118.5 0.2 . 1 . . . . . . . . . 6242 1 774 . 1 1 84 84 CYS H H 1 8.29 0.02 . 1 . . . . . . . . . 6242 1 775 . 1 1 84 84 CYS CA C 13 55.6 0.2 . 1 . . . . . . . . . 6242 1 776 . 1 1 84 84 CYS HA H 1 4.32 0.02 . 1 . . . . . . . . . 6242 1 777 . 1 1 84 84 CYS CB C 13 38.5 0.2 . 1 . . . . . . . . . 6242 1 778 . 1 1 84 84 CYS HB2 H 1 2.99 0.02 . 2 . . . . . . . . . 6242 1 779 . 1 1 84 84 CYS HB3 H 1 3.05 0.02 . 2 . . . . . . . . . 6242 1 780 . 1 1 84 84 CYS C C 13 176.8 0.2 . 1 . . . . . . . . . 6242 1 781 . 1 1 85 85 ALA N N 15 126.3 0.2 . 1 . . . . . . . . . 6242 1 782 . 1 1 85 85 ALA H H 1 7.68 0.02 . 1 . . . . . . . . . 6242 1 783 . 1 1 85 85 ALA CA C 13 53.1 0.2 . 1 . . . . . . . . . 6242 1 784 . 1 1 85 85 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . . 6242 1 785 . 1 1 85 85 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . . 6242 1 786 . 1 1 85 85 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . . 6242 1 787 . 1 1 85 85 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . . 6242 1 788 . 1 1 85 85 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . . 6242 1 789 . 1 1 85 85 ALA C C 13 178.7 0.2 . 1 . . . . . . . . . 6242 1 790 . 1 1 86 86 THR N N 15 115.0 0.2 . 1 . . . . . . . . . 6242 1 791 . 1 1 86 86 THR H H 1 7.69 0.02 . 1 . . . . . . . . . 6242 1 792 . 1 1 86 86 THR CA C 13 63.7 0.2 . 1 . . . . . . . . . 6242 1 793 . 1 1 86 86 THR HA H 1 4.19 0.02 . 1 . . . . . . . . . 6242 1 794 . 1 1 86 86 THR CB C 13 67.1 0.2 . 1 . . . . . . . . . 6242 1 795 . 1 1 86 86 THR HB H 1 3.78 0.02 . 1 . . . . . . . . . 6242 1 796 . 1 1 86 86 THR HG21 H 1 0.78 0.02 . 1 . . . . . . . . . 6242 1 797 . 1 1 86 86 THR HG22 H 1 0.78 0.02 . 1 . . . . . . . . . 6242 1 798 . 1 1 86 86 THR HG23 H 1 0.78 0.02 . 1 . . . . . . . . . 6242 1 799 . 1 1 86 86 THR CG2 C 13 31.0 0.2 . 1 . . . . . . . . . 6242 1 800 . 1 1 86 86 THR C C 13 173.2 0.2 . 1 . . . . . . . . . 6242 1 801 . 1 1 87 87 PHE N N 15 117.5 0.2 . 1 . . . . . . . . . 6242 1 802 . 1 1 87 87 PHE H H 1 6.82 0.02 . 1 . . . . . . . . . 6242 1 803 . 1 1 87 87 PHE CA C 13 55.5 0.2 . 1 . . . . . . . . . 6242 1 804 . 1 1 87 87 PHE HA H 1 4.80 0.02 . 1 . . . . . . . . . 6242 1 805 . 1 1 87 87 PHE CB C 13 38.9 0.2 . 1 . . . . . . . . . 6242 1 806 . 1 1 87 87 PHE HB2 H 1 2.85 0.02 . 2 . . . . . . . . . 6242 1 807 . 1 1 87 87 PHE HB3 H 1 3.20 0.02 . 2 . . . . . . . . . 6242 1 808 . 1 1 87 87 PHE C C 13 174.0 0.2 . 1 . . . . . . . . . 6242 1 809 . 1 1 88 88 THR N N 15 111.0 0.2 . 1 . . . . . . . . . 6242 1 810 . 1 1 88 88 THR H H 1 7.60 0.02 . 1 . . . . . . . . . 6242 1 811 . 1 1 88 88 THR CA C 13 58.5 0.2 . 1 . . . . . . . . . 6242 1 812 . 1 1 88 88 THR HA H 1 4.41 0.02 . 1 . . . . . . . . . 6242 1 813 . 1 1 88 88 THR CB C 13 69.2 0.2 . 1 . . . . . . . . . 6242 1 814 . 1 1 88 88 THR HB H 1 4.09 0.02 . 1 . . . . . . . . . 6242 1 815 . 1 1 88 88 THR HG21 H 1 0.97 0.02 . 1 . . . . . . . . . 6242 1 816 . 1 1 88 88 THR HG22 H 1 0.97 0.02 . 1 . . . . . . . . . 6242 1 817 . 1 1 88 88 THR HG23 H 1 0.97 0.02 . 1 . . . . . . . . . 6242 1 818 . 1 1 88 88 THR CG2 C 13 20.4 0.2 . 1 . . . . . . . . . 6242 1 819 . 1 1 88 88 THR C C 13 173.7 0.2 . 1 . . . . . . . . . 6242 1 820 . 1 1 89 89 THR N N 15 115.0 0.2 . 1 . . . . . . . . . 6242 1 821 . 1 1 89 89 THR H H 1 8.81 0.02 . 1 . . . . . . . . . 6242 1 822 . 1 1 89 89 THR CA C 13 62.1 0.2 . 1 . . . . . . . . . 6242 1 823 . 1 1 89 89 THR HA H 1 3.99 0.02 . 1 . . . . . . . . . 6242 1 824 . 1 1 89 89 THR CB C 13 67.9 0.2 . 1 . . . . . . . . . 6242 1 825 . 1 1 89 89 THR HB H 1 4.28 0.02 . 1 . . . . . . . . . 6242 1 826 . 1 1 89 89 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . . 6242 1 827 . 1 1 89 89 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . . 6242 1 828 . 1 1 89 89 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . . 6242 1 829 . 1 1 89 89 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . . 6242 1 830 . 1 1 89 89 THR C C 13 174.0 0.2 . 1 . . . . . . . . . 6242 1 831 . 1 1 90 90 SER N N 15 118.6 0.2 . 1 . . . . . . . . . 6242 1 832 . 1 1 90 90 SER H H 1 8.47 0.02 . 1 . . . . . . . . . 6242 1 833 . 1 1 90 90 SER CA C 13 52.1 0.2 . 1 . . . . . . . . . 6242 1 834 . 1 1 90 90 SER HA H 1 4.57 0.02 . 1 . . . . . . . . . 6242 1 835 . 1 1 90 90 SER CB C 13 60.9 0.2 . 1 . . . . . . . . . 6242 1 836 . 1 1 90 90 SER HB2 H 1 3.30 0.02 . 2 . . . . . . . . . 6242 1 837 . 1 1 90 90 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . . 6242 1 838 . 1 1 91 91 PRO CD C 13 47.7 0.2 . 1 . . . . . . . . . 6242 1 839 . 1 1 91 91 PRO CA C 13 61.7 0.2 . 1 . . . . . . . . . 6242 1 840 . 1 1 91 91 PRO HA H 1 4.22 0.02 . 1 . . . . . . . . . 6242 1 841 . 1 1 91 91 PRO CB C 13 29.5 0.2 . 1 . . . . . . . . . 6242 1 842 . 1 1 91 91 PRO HB2 H 1 1.74 0.02 . 2 . . . . . . . . . 6242 1 843 . 1 1 91 91 PRO HB3 H 1 2.07 0.02 . 2 . . . . . . . . . 6242 1 844 . 1 1 91 91 PRO CG C 13 26.0 0.2 . 1 . . . . . . . . . 6242 1 845 . 1 1 91 91 PRO HG2 H 1 1.65 0.02 . 2 . . . . . . . . . 6242 1 846 . 1 1 91 91 PRO HG3 H 1 1.96 0.02 . 2 . . . . . . . . . 6242 1 847 . 1 1 91 91 PRO HD2 H 1 3.32 0.02 . 2 . . . . . . . . . 6242 1 848 . 1 1 91 91 PRO HD3 H 1 3.39 0.02 . 2 . . . . . . . . . 6242 1 849 . 1 1 91 91 PRO C C 13 177.7 0.2 . 1 . . . . . . . . . 6242 1 850 . 1 1 92 92 GLY N N 15 114.6 0.2 . 1 . . . . . . . . . 6242 1 851 . 1 1 92 92 GLY H H 1 8.72 0.02 . 1 . . . . . . . . . 6242 1 852 . 1 1 92 92 GLY CA C 13 43.8 0.2 . 1 . . . . . . . . . 6242 1 853 . 1 1 92 92 GLY HA2 H 1 3.50 0.02 . 2 . . . . . . . . . 6242 1 854 . 1 1 92 92 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . . 6242 1 855 . 1 1 92 92 GLY C C 13 173.0 0.2 . 1 . . . . . . . . . 6242 1 856 . 1 1 93 93 VAL N N 15 124.3 0.2 . 1 . . . . . . . . . 6242 1 857 . 1 1 93 93 VAL H H 1 7.87 0.02 . 1 . . . . . . . . . 6242 1 858 . 1 1 93 93 VAL CA C 13 60.8 0.2 . 1 . . . . . . . . . 6242 1 859 . 1 1 93 93 VAL HA H 1 4.03 0.02 . 1 . . . . . . . . . 6242 1 860 . 1 1 93 93 VAL CB C 13 29.5 0.2 . 1 . . . . . . . . . 6242 1 861 . 1 1 93 93 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . . 6242 1 862 . 1 1 93 93 VAL HG11 H 1 0.66 0.02 . 2 . . . . . . . . . 6242 1 863 . 1 1 93 93 VAL HG12 H 1 0.66 0.02 . 2 . . . . . . . . . 6242 1 864 . 1 1 93 93 VAL HG13 H 1 0.66 0.02 . 2 . . . . . . . . . 6242 1 865 . 1 1 93 93 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . . 6242 1 866 . 1 1 93 93 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . . 6242 1 867 . 1 1 93 93 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . . 6242 1 868 . 1 1 93 93 VAL CG1 C 13 18.2 0.2 . 1 . . . . . . . . . 6242 1 869 . 1 1 93 93 VAL CG2 C 13 21.6 0.2 . 1 . . . . . . . . . 6242 1 870 . 1 1 93 93 VAL C C 13 171.5 0.2 . 1 . . . . . . . . . 6242 1 871 . 1 1 94 94 GLU N N 15 126.9 0.2 . 1 . . . . . . . . . 6242 1 872 . 1 1 94 94 GLU H H 1 7.95 0.02 . 1 . . . . . . . . . 6242 1 873 . 1 1 94 94 GLU CA C 13 52.0 0.2 . 1 . . . . . . . . . 6242 1 874 . 1 1 94 94 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . . 6242 1 875 . 1 1 94 94 GLU CB C 13 31.7 0.2 . 1 . . . . . . . . . 6242 1 876 . 1 1 94 94 GLU HB2 H 1 1.59 0.02 . 2 . . . . . . . . . 6242 1 877 . 1 1 94 94 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . . 6242 1 878 . 1 1 94 94 GLU CG C 13 34.3 0.2 . 1 . . . . . . . . . 6242 1 879 . 1 1 94 94 GLU HG2 H 1 2.06 0.02 . 2 . . . . . . . . . 6242 1 880 . 1 1 94 94 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . . 6242 1 881 . 1 1 94 94 GLU C C 13 173.7 0.2 . 1 . . . . . . . . . 6242 1 882 . 1 1 95 95 VAL N N 15 122.4 0.2 . 1 . . . . . . . . . 6242 1 883 . 1 1 95 95 VAL H H 1 8.65 0.02 . 1 . . . . . . . . . 6242 1 884 . 1 1 95 95 VAL CA C 13 63.2 0.2 . 1 . . . . . . . . . 6242 1 885 . 1 1 95 95 VAL HA H 1 3.24 0.02 . 1 . . . . . . . . . 6242 1 886 . 1 1 95 95 VAL CB C 13 30.8 0.2 . 1 . . . . . . . . . 6242 1 887 . 1 1 95 95 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . . 6242 1 888 . 1 1 95 95 VAL HG11 H 1 0.53 0.02 . 2 . . . . . . . . . 6242 1 889 . 1 1 95 95 VAL HG12 H 1 0.53 0.02 . 2 . . . . . . . . . 6242 1 890 . 1 1 95 95 VAL HG13 H 1 0.53 0.02 . 2 . . . . . . . . . 6242 1 891 . 1 1 95 95 VAL HG21 H 1 0.77 0.02 . 2 . . . . . . . . . 6242 1 892 . 1 1 95 95 VAL HG22 H 1 0.77 0.02 . 2 . . . . . . . . . 6242 1 893 . 1 1 95 95 VAL HG23 H 1 0.77 0.02 . 2 . . . . . . . . . 6242 1 894 . 1 1 95 95 VAL CG1 C 13 18.6 0.2 . 1 . . . . . . . . . 6242 1 895 . 1 1 95 95 VAL CG2 C 13 21.6 0.2 . 1 . . . . . . . . . 6242 1 896 . 1 1 95 95 VAL C C 13 180.0 0.2 . 1 . . . . . . . . . 6242 1 897 . 1 1 96 96 LYS N N 15 132.7 0.2 . 1 . . . . . . . . . 6242 1 898 . 1 1 96 96 LYS H H 1 9.53 0.02 . 1 . . . . . . . . . 6242 1 899 . 1 1 96 96 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . . 6242 1 900 . 1 1 96 96 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . . 6242 1 901 . 1 1 96 96 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . . 6242 1 902 . 1 1 96 96 LYS HB2 H 1 1.05 0.02 . 2 . . . . . . . . . 6242 1 903 . 1 1 96 96 LYS HB3 H 1 1.37 0.02 . 2 . . . . . . . . . 6242 1 904 . 1 1 96 96 LYS CG C 13 23.1 0.2 . 1 . . . . . . . . . 6242 1 905 . 1 1 96 96 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . . 6242 1 906 . 1 1 96 96 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . . 6242 1 907 . 1 1 96 96 LYS CD C 13 28.1 0.2 . 1 . . . . . . . . . 6242 1 908 . 1 1 96 96 LYS HD2 H 1 1.54 0.02 . 2 . . . . . . . . . 6242 1 909 . 1 1 96 96 LYS HD3 H 1 1.66 0.02 . 2 . . . . . . . . . 6242 1 910 . 1 1 96 96 LYS CE C 13 40.3 0.2 . 1 . . . . . . . . . 6242 1 911 . 1 1 96 96 LYS HE2 H 1 2.89 0.02 . 2 . . . . . . . . . 6242 1 912 . 1 1 96 96 LYS HE3 H 1 2.94 0.02 . 2 . . . . . . . . . 6242 1 913 . 1 1 96 96 LYS C C 13 175.0 0.2 . 1 . . . . . . . . . 6242 1 914 . 1 1 97 97 HIS N N 15 111.8 0.2 . 1 . . . . . . . . . 6242 1 915 . 1 1 97 97 HIS H H 1 7.36 0.02 . 1 . . . . . . . . . 6242 1 916 . 1 1 97 97 HIS CA C 13 53.0 0.2 . 1 . . . . . . . . . 6242 1 917 . 1 1 97 97 HIS HA H 1 4.58 0.02 . 1 . . . . . . . . . 6242 1 918 . 1 1 97 97 HIS CB C 13 28.4 0.2 . 1 . . . . . . . . . 6242 1 919 . 1 1 97 97 HIS HB2 H 1 3.06 0.02 . 2 . . . . . . . . . 6242 1 920 . 1 1 97 97 HIS HB3 H 1 3.43 0.02 . 2 . . . . . . . . . 6242 1 921 . 1 1 97 97 HIS C C 13 171.3 0.2 . 1 . . . . . . . . . 6242 1 922 . 1 1 98 98 GLU N N 15 121.2 0.2 . 1 . . . . . . . . . 6242 1 923 . 1 1 98 98 GLU H H 1 8.97 0.02 . 1 . . . . . . . . . 6242 1 924 . 1 1 98 98 GLU CA C 13 55.9 0.2 . 1 . . . . . . . . . 6242 1 925 . 1 1 98 98 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . . 6242 1 926 . 1 1 98 98 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . . 6242 1 927 . 1 1 98 98 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . . 6242 1 928 . 1 1 98 98 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 6242 1 929 . 1 1 98 98 GLU CG C 13 34.8 0.2 . 1 . . . . . . . . . 6242 1 930 . 1 1 98 98 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . . 6242 1 931 . 1 1 98 98 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . . 6242 1 932 . 1 1 98 98 GLU C C 13 176.3 0.2 . 1 . . . . . . . . . 6242 1 933 . 1 1 99 99 GLY N N 15 115.7 0.2 . 1 . . . . . . . . . 6242 1 934 . 1 1 99 99 GLY H H 1 8.19 0.02 . 1 . . . . . . . . . 6242 1 935 . 1 1 99 99 GLY CA C 13 42.6 0.2 . 1 . . . . . . . . . 6242 1 936 . 1 1 99 99 GLY HA2 H 1 3.36 0.02 . 2 . . . . . . . . . 6242 1 937 . 1 1 99 99 GLY HA3 H 1 4.37 0.02 . 2 . . . . . . . . . 6242 1 938 . 1 1 99 99 GLY C C 13 168.8 0.2 . 1 . . . . . . . . . 6242 1 939 . 1 1 100 100 GLU N N 15 113.8 0.2 . 1 . . . . . . . . . 6242 1 940 . 1 1 100 100 GLU H H 1 8.07 0.02 . 1 . . . . . . . . . 6242 1 941 . 1 1 100 100 GLU CA C 13 54.3 0.2 . 1 . . . . . . . . . 6242 1 942 . 1 1 100 100 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . . 6242 1 943 . 1 1 100 100 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . . 6242 1 944 . 1 1 100 100 GLU HB2 H 1 1.72 0.02 . 2 . . . . . . . . . 6242 1 945 . 1 1 100 100 GLU HB3 H 1 1.86 0.02 . 2 . . . . . . . . . 6242 1 946 . 1 1 100 100 GLU CG C 13 34.5 0.2 . 1 . . . . . . . . . 6242 1 947 . 1 1 100 100 GLU HG2 H 1 2.09 0.02 . 1 . . . . . . . . . 6242 1 948 . 1 1 100 100 GLU HG3 H 1 2.09 0.02 . 1 . . . . . . . . . 6242 1 949 . 1 1 100 100 GLU C C 13 176.3 0.2 . 1 . . . . . . . . . 6242 1 950 . 1 1 101 101 CYS N N 15 120.0 0.2 . 1 . . . . . . . . . 6242 1 951 . 1 1 101 101 CYS H H 1 8.19 0.02 . 1 . . . . . . . . . 6242 1 952 . 1 1 101 101 CYS CA C 13 52.6 0.2 . 1 . . . . . . . . . 6242 1 953 . 1 1 101 101 CYS HA H 1 4.47 0.02 . 1 . . . . . . . . . 6242 1 954 . 1 1 101 101 CYS CB C 13 36.3 0.2 . 1 . . . . . . . . . 6242 1 955 . 1 1 101 101 CYS HB2 H 1 2.37 0.02 . 2 . . . . . . . . . 6242 1 956 . 1 1 101 101 CYS HB3 H 1 2.86 0.02 . 2 . . . . . . . . . 6242 1 957 . 1 1 101 101 CYS C C 13 173.6 0.2 . 1 . . . . . . . . . 6242 1 958 . 1 1 102 102 HIS N N 15 121.0 0.2 . 1 . . . . . . . . . 6242 1 959 . 1 1 102 102 HIS H H 1 9.11 0.02 . 1 . . . . . . . . . 6242 1 960 . 1 1 102 102 HIS CA C 13 51.8 0.2 . 1 . . . . . . . . . 6242 1 961 . 1 1 102 102 HIS HA H 1 4.85 0.02 . 1 . . . . . . . . . 6242 1 962 . 1 1 102 102 HIS CB C 13 27.4 0.2 . 1 . . . . . . . . . 6242 1 963 . 1 1 102 102 HIS HB2 H 1 3.01 0.02 . 1 . . . . . . . . . 6242 1 964 . 1 1 102 102 HIS HB3 H 1 3.01 0.02 . 1 . . . . . . . . . 6242 1 965 . 1 1 103 103 PRO CD C 13 48.7 0.2 . 1 . . . . . . . . . 6242 1 966 . 1 1 103 103 PRO CA C 13 61.5 0.2 . 1 . . . . . . . . . 6242 1 967 . 1 1 103 103 PRO HA H 1 4.28 0.02 . 1 . . . . . . . . . 6242 1 968 . 1 1 103 103 PRO CB C 13 30.3 0.2 . 1 . . . . . . . . . 6242 1 969 . 1 1 103 103 PRO HB2 H 1 1.81 0.02 . 2 . . . . . . . . . 6242 1 970 . 1 1 103 103 PRO HB3 H 1 2.15 0.02 . 2 . . . . . . . . . 6242 1 971 . 1 1 103 103 PRO CG C 13 25.4 0.2 . 1 . . . . . . . . . 6242 1 972 . 1 1 103 103 PRO HG2 H 1 1.86 0.02 . 1 . . . . . . . . . 6242 1 973 . 1 1 103 103 PRO HG3 H 1 1.86 0.02 . 1 . . . . . . . . . 6242 1 974 . 1 1 103 103 PRO HD2 H 1 3.50 0.02 . 1 . . . . . . . . . 6242 1 975 . 1 1 103 103 PRO HD3 H 1 3.50 0.02 . 1 . . . . . . . . . 6242 1 976 . 1 1 103 103 PRO C C 13 175.4 0.2 . 1 . . . . . . . . . 6242 1 977 . 1 1 104 104 GLU N N 15 123.1 0.2 . 1 . . . . . . . . . 6242 1 978 . 1 1 104 104 GLU H H 1 8.81 0.02 . 1 . . . . . . . . . 6242 1 979 . 1 1 104 104 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . . 6242 1 980 . 1 1 104 104 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . . 6242 1 981 . 1 1 104 104 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . . 6242 1 982 . 1 1 104 104 GLU HB2 H 1 1.84 0.02 . 2 . . . . . . . . . 6242 1 983 . 1 1 104 104 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . . 6242 1 984 . 1 1 104 104 GLU CG C 13 34.3 0.2 . 1 . . . . . . . . . 6242 1 985 . 1 1 104 104 GLU HG2 H 1 2.10 0.02 . 2 . . . . . . . . . 6242 1 986 . 1 1 104 104 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . . 6242 1 987 . 1 1 104 104 GLU C C 13 175.0 0.2 . 1 . . . . . . . . . 6242 1 988 . 1 1 105 105 THR N N 15 118.3 0.2 . 1 . . . . . . . . . 6242 1 989 . 1 1 105 105 THR H H 1 8.16 0.02 . 1 . . . . . . . . . 6242 1 990 . 1 1 105 105 THR CA C 13 60.3 0.2 . 1 . . . . . . . . . 6242 1 991 . 1 1 105 105 THR HA H 1 4.15 0.02 . 1 . . . . . . . . . 6242 1 992 . 1 1 105 105 THR CB C 13 67.9 0.2 . 1 . . . . . . . . . 6242 1 993 . 1 1 105 105 THR HB H 1 4.01 0.02 . 1 . . . . . . . . . 6242 1 994 . 1 1 105 105 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . . 6242 1 995 . 1 1 105 105 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . . 6242 1 996 . 1 1 105 105 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . . 6242 1 997 . 1 1 105 105 THR CG2 C 13 19.8 0.2 . 1 . . . . . . . . . 6242 1 998 . 1 1 105 105 THR C C 13 172.5 0.2 . 1 . . . . . . . . . 6242 1 999 . 1 1 106 106 LYS N N 15 126.9 0.2 . 1 . . . . . . . . . 6242 1 1000 . 1 1 106 106 LYS H H 1 8.30 0.02 . 1 . . . . . . . . . 6242 1 1001 . 1 1 106 106 LYS CA C 13 54.4 0.2 . 1 . . . . . . . . . 6242 1 1002 . 1 1 106 106 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . . 6242 1 1003 . 1 1 106 106 LYS CB C 13 31.4 0.2 . 1 . . . . . . . . . 6242 1 1004 . 1 1 106 106 LYS HB2 H 1 1.62 0.02 . 2 . . . . . . . . . 6242 1 1005 . 1 1 106 106 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . . 6242 1 1006 . 1 1 106 106 LYS CG C 13 22.8 0.2 . 1 . . . . . . . . . 6242 1 1007 . 1 1 106 106 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . . 6242 1 1008 . 1 1 106 106 LYS HG3 H 1 1.28 0.02 . 2 . . . . . . . . . 6242 1 1009 . 1 1 106 106 LYS CD C 13 27.2 0.2 . 1 . . . . . . . . . 6242 1 1010 . 1 1 106 106 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . . 6242 1 1011 . 1 1 106 106 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . . 6242 1 1012 . 1 1 106 106 LYS CE C 13 40.3 0.2 . 1 . . . . . . . . . 6242 1 1013 . 1 1 106 106 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . . 6242 1 1014 . 1 1 106 106 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . . 6242 1 1015 . 1 1 106 106 LYS C C 13 174.5 0.2 . 1 . . . . . . . . . 6242 1 1016 . 1 1 107 107 VAL N N 15 123.9 0.2 . 1 . . . . . . . . . 6242 1 1017 . 1 1 107 107 VAL H H 1 8.22 0.02 . 1 . . . . . . . . . 6242 1 1018 . 1 1 107 107 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . . 6242 1 1019 . 1 1 107 107 VAL HA H 1 3.98 0.02 . 1 . . . . . . . . . 6242 1 1020 . 1 1 107 107 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . . 6242 1 1021 . 1 1 107 107 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . . 6242 1 1022 . 1 1 107 107 VAL HG11 H 1 0.78 0.02 . 2 . . . . . . . . . 6242 1 1023 . 1 1 107 107 VAL HG12 H 1 0.78 0.02 . 2 . . . . . . . . . 6242 1 1024 . 1 1 107 107 VAL HG13 H 1 0.78 0.02 . 2 . . . . . . . . . 6242 1 1025 . 1 1 107 107 VAL HG21 H 1 0.79 0.02 . 2 . . . . . . . . . 6242 1 1026 . 1 1 107 107 VAL HG22 H 1 0.79 0.02 . 2 . . . . . . . . . 6242 1 1027 . 1 1 107 107 VAL HG23 H 1 0.79 0.02 . 2 . . . . . . . . . 6242 1 1028 . 1 1 107 107 VAL CG1 C 13 18.4 0.2 . 1 . . . . . . . . . 6242 1 1029 . 1 1 107 107 VAL CG2 C 13 19.4 0.2 . 1 . . . . . . . . . 6242 1 1030 . 1 1 107 107 VAL C C 13 173.4 0.2 . 1 . . . . . . . . . 6242 1 1031 . 1 1 108 108 ASN N N 15 129.0 0.2 . 1 . . . . . . . . . 6242 1 1032 . 1 1 108 108 ASN H H 1 7.98 0.02 . 1 . . . . . . . . . 6242 1 1033 . 1 1 108 108 ASN CA C 13 52.9 0.2 . 1 . . . . . . . . . 6242 1 1034 . 1 1 108 108 ASN HA H 1 4.31 0.02 . 1 . . . . . . . . . 6242 1 1035 . 1 1 108 108 ASN CB C 13 38.6 0.2 . 1 . . . . . . . . . 6242 1 1036 . 1 1 108 108 ASN HB2 H 1 2.53 0.02 . 2 . . . . . . . . . 6242 1 1037 . 1 1 108 108 ASN HB3 H 1 2.62 0.02 . 2 . . . . . . . . . 6242 1 1038 . 1 1 108 108 ASN ND2 N 15 115.0 0.2 . 1 . . . . . . . . . 6242 1 1039 . 1 1 108 108 ASN HD21 H 1 6.95 0.02 . 2 . . . . . . . . . 6242 1 1040 . 1 1 108 108 ASN HD22 H 1 7.63 0.02 . 2 . . . . . . . . . 6242 1 stop_ save_