data_4731 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4731 _Entry.Title ; Sequence-specific 1H, 13C, and 15N Assignment of the Human Melanoma Inhibitory Activity (MIA) Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-30 _Entry.Accession_date 2000-05-01 _Entry.Last_release_date 2001-04-30 _Entry.Original_release_date 2001-04-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Raphael Stoll . . . 4731 2 Christian Renner . . . 4731 3 Dorothee Ambrosius . . . 4731 4 Michaela Golob . . . 4731 5 Wolfgang Voelter . . . 4731 6 Reinhard Buettner . . . 4731 7 Anja-Katrin Bosserhoff . . . 4731 8 Tad Holak . A. . 4731 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4731 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 255 4731 '15N chemical shifts' 97 4731 '1H chemical shifts' 456 4731 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 . . 2001-04-30 2000-04-30 original author . 4731 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4731 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20365226 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 13C, and 15N Assignment of the Human Melanoma Inhibitory Activity (MIA) Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _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 87 _Citation.Page_last 88 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Raphael Stoll . . . 4731 1 2 Christian Renner . . . 4731 1 3 Dorothee Ambrosius . . . 4731 1 4 Michaela Golob . . . 4731 1 5 Wolfgang Voelter . . . 4731 1 6 Reinhard Buettner . . . 4731 1 7 Anja-Katrin Bosserhoff . . . 4731 1 8 Tad Holak . A. . 4731 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human melanoma inhibitory activity' 4731 1 MIA 4731 1 'NMR assignments' 4731 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MIA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MIA _Assembly.Entry_ID 4731 _Assembly.ID 1 _Assembly.Name 'human melanoma inhibitory activity (MIA) protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4731 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 'human MIA' 1 $human_MIA . . . native . . . . . 4731 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human melanoma inhibitory activity (MIA) protein' system 4731 1 MIA abbreviation 4731 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_MIA _Entity.Sf_category entity _Entity.Sf_framecode human_MIA _Entity.Entry_ID 4731 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human melanoma inhibitory activity protein' _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 ; MGPMPKLADRKLCADQECSH PISMAVALQDYMAPDCRFLT IHRGQVVYVFSKLKGRGRLF WGGSVQGDYYGDLAARLGYF PSSIVREDQTLKPGKVDVKT DKWDFYCQ ; _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 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HJD . "Melanoma Inhibitory Activity (Mia) Protein" . . . . . 92.59 101 100.00 100.00 7.61e-67 . . . . 4731 1 2 no PDB 1I1J . "Structure Of Melanoma Inhibitory Activity Protein: A Member Of A New Family Of Secreted Proteins" . . . . . 100.00 108 100.00 100.00 2.45e-73 . . . . 4731 1 3 no PDB 1K0X . "Solution Structure Of Melanoma Inhibitory Activity Protein" . . . . . 100.00 108 100.00 100.00 2.45e-73 . . . . 4731 1 4 no DBJ BAG63518 . "unnamed protein product [Homo sapiens]" . . . . . 92.59 131 100.00 100.00 4.35e-66 . . . . 4731 1 5 no EMBL CAA53203 . "melanoma derived growth regulatory protein MIA [Homo sapiens]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 6 no EMBL CAA59195 . "melanoma growth regulatory protein [Homo sapiens]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 7 no EMBL CAG46449 . "MIA [Homo sapiens]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 8 no GB AAF76220 . "melanoma inhibitory activity protein [Mesocricetus auratus]" . . . . . 88.89 96 100.00 100.00 1.17e-62 . . . . 4731 1 9 no GB AAH05910 . "Melanoma inhibitory activity [Homo sapiens]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 10 no GB AAP35693 . "melanoma inhibitory activity [Homo sapiens]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 11 no GB AAP36443 . "Homo sapiens melanoma inhibitory activity [synthetic construct]" . . . . . 99.07 132 100.00 100.00 1.78e-72 . . . . 4731 1 12 no GB AAX29533 . "melanoma inhibitory activity, partial [synthetic construct]" . . . . . 99.07 132 100.00 100.00 1.78e-72 . . . . 4731 1 13 no REF NP_001189482 . "melanoma-derived growth regulatory protein precursor [Homo sapiens]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 14 no REF NP_001248211 . "melanoma-derived growth regulatory protein precursor [Macaca mulatta]" . . . . . 99.07 131 99.07 100.00 1.65e-71 . . . . 4731 1 15 no REF NP_006524 . "melanoma-derived growth regulatory protein precursor [Homo sapiens]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 16 no REF XP_001146858 . "PREDICTED: melanoma-derived growth regulatory protein isoform X2 [Pan troglodytes]" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 17 no REF XP_002829285 . "PREDICTED: melanoma-derived growth regulatory protein [Pongo abelii]" . . . . . 99.07 131 99.07 100.00 8.03e-72 . . . . 4731 1 18 no SP Q16674 . "RecName: Full=Melanoma-derived growth regulatory protein; AltName: Full=Melanoma inhibitory activity protein; Flags: Precursor" . . . . . 99.07 131 100.00 100.00 1.67e-72 . . . . 4731 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human melanoma inhibitory activity protein' common 4731 1 'human MIA' abbreviation 4731 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4731 1 2 . GLY . 4731 1 3 . PRO . 4731 1 4 . MET . 4731 1 5 . PRO . 4731 1 6 . LYS . 4731 1 7 . LEU . 4731 1 8 . ALA . 4731 1 9 . ASP . 4731 1 10 . ARG . 4731 1 11 . LYS . 4731 1 12 . LEU . 4731 1 13 . CYS . 4731 1 14 . ALA . 4731 1 15 . ASP . 4731 1 16 . GLN . 4731 1 17 . GLU . 4731 1 18 . CYS . 4731 1 19 . SER . 4731 1 20 . HIS . 4731 1 21 . PRO . 4731 1 22 . ILE . 4731 1 23 . SER . 4731 1 24 . MET . 4731 1 25 . ALA . 4731 1 26 . VAL . 4731 1 27 . ALA . 4731 1 28 . LEU . 4731 1 29 . GLN . 4731 1 30 . ASP . 4731 1 31 . TYR . 4731 1 32 . MET . 4731 1 33 . ALA . 4731 1 34 . PRO . 4731 1 35 . ASP . 4731 1 36 . CYS . 4731 1 37 . ARG . 4731 1 38 . PHE . 4731 1 39 . LEU . 4731 1 40 . THR . 4731 1 41 . ILE . 4731 1 42 . HIS . 4731 1 43 . ARG . 4731 1 44 . GLY . 4731 1 45 . GLN . 4731 1 46 . VAL . 4731 1 47 . VAL . 4731 1 48 . TYR . 4731 1 49 . VAL . 4731 1 50 . PHE . 4731 1 51 . SER . 4731 1 52 . LYS . 4731 1 53 . LEU . 4731 1 54 . LYS . 4731 1 55 . GLY . 4731 1 56 . ARG . 4731 1 57 . GLY . 4731 1 58 . ARG . 4731 1 59 . LEU . 4731 1 60 . PHE . 4731 1 61 . TRP . 4731 1 62 . GLY . 4731 1 63 . GLY . 4731 1 64 . SER . 4731 1 65 . VAL . 4731 1 66 . GLN . 4731 1 67 . GLY . 4731 1 68 . ASP . 4731 1 69 . TYR . 4731 1 70 . TYR . 4731 1 71 . GLY . 4731 1 72 . ASP . 4731 1 73 . LEU . 4731 1 74 . ALA . 4731 1 75 . ALA . 4731 1 76 . ARG . 4731 1 77 . LEU . 4731 1 78 . GLY . 4731 1 79 . TYR . 4731 1 80 . PHE . 4731 1 81 . PRO . 4731 1 82 . SER . 4731 1 83 . SER . 4731 1 84 . ILE . 4731 1 85 . VAL . 4731 1 86 . ARG . 4731 1 87 . GLU . 4731 1 88 . ASP . 4731 1 89 . GLN . 4731 1 90 . THR . 4731 1 91 . LEU . 4731 1 92 . LYS . 4731 1 93 . PRO . 4731 1 94 . GLY . 4731 1 95 . LYS . 4731 1 96 . VAL . 4731 1 97 . ASP . 4731 1 98 . VAL . 4731 1 99 . LYS . 4731 1 100 . THR . 4731 1 101 . ASP . 4731 1 102 . LYS . 4731 1 103 . TRP . 4731 1 104 . ASP . 4731 1 105 . PHE . 4731 1 106 . TYR . 4731 1 107 . CYS . 4731 1 108 . GLN . 4731 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4731 1 . GLY 2 2 4731 1 . PRO 3 3 4731 1 . MET 4 4 4731 1 . PRO 5 5 4731 1 . LYS 6 6 4731 1 . LEU 7 7 4731 1 . ALA 8 8 4731 1 . ASP 9 9 4731 1 . ARG 10 10 4731 1 . LYS 11 11 4731 1 . LEU 12 12 4731 1 . CYS 13 13 4731 1 . ALA 14 14 4731 1 . ASP 15 15 4731 1 . GLN 16 16 4731 1 . GLU 17 17 4731 1 . CYS 18 18 4731 1 . SER 19 19 4731 1 . HIS 20 20 4731 1 . PRO 21 21 4731 1 . ILE 22 22 4731 1 . SER 23 23 4731 1 . MET 24 24 4731 1 . ALA 25 25 4731 1 . VAL 26 26 4731 1 . ALA 27 27 4731 1 . LEU 28 28 4731 1 . GLN 29 29 4731 1 . ASP 30 30 4731 1 . TYR 31 31 4731 1 . MET 32 32 4731 1 . ALA 33 33 4731 1 . PRO 34 34 4731 1 . ASP 35 35 4731 1 . CYS 36 36 4731 1 . ARG 37 37 4731 1 . PHE 38 38 4731 1 . LEU 39 39 4731 1 . THR 40 40 4731 1 . ILE 41 41 4731 1 . HIS 42 42 4731 1 . ARG 43 43 4731 1 . GLY 44 44 4731 1 . GLN 45 45 4731 1 . VAL 46 46 4731 1 . VAL 47 47 4731 1 . TYR 48 48 4731 1 . VAL 49 49 4731 1 . PHE 50 50 4731 1 . SER 51 51 4731 1 . LYS 52 52 4731 1 . LEU 53 53 4731 1 . LYS 54 54 4731 1 . GLY 55 55 4731 1 . ARG 56 56 4731 1 . GLY 57 57 4731 1 . ARG 58 58 4731 1 . LEU 59 59 4731 1 . PHE 60 60 4731 1 . TRP 61 61 4731 1 . GLY 62 62 4731 1 . GLY 63 63 4731 1 . SER 64 64 4731 1 . VAL 65 65 4731 1 . GLN 66 66 4731 1 . GLY 67 67 4731 1 . ASP 68 68 4731 1 . TYR 69 69 4731 1 . TYR 70 70 4731 1 . GLY 71 71 4731 1 . ASP 72 72 4731 1 . LEU 73 73 4731 1 . ALA 74 74 4731 1 . ALA 75 75 4731 1 . ARG 76 76 4731 1 . LEU 77 77 4731 1 . GLY 78 78 4731 1 . TYR 79 79 4731 1 . PHE 80 80 4731 1 . PRO 81 81 4731 1 . SER 82 82 4731 1 . SER 83 83 4731 1 . ILE 84 84 4731 1 . VAL 85 85 4731 1 . ARG 86 86 4731 1 . GLU 87 87 4731 1 . ASP 88 88 4731 1 . GLN 89 89 4731 1 . THR 90 90 4731 1 . LEU 91 91 4731 1 . LYS 92 92 4731 1 . PRO 93 93 4731 1 . GLY 94 94 4731 1 . LYS 95 95 4731 1 . VAL 96 96 4731 1 . ASP 97 97 4731 1 . VAL 98 98 4731 1 . LYS 99 99 4731 1 . THR 100 100 4731 1 . ASP 101 101 4731 1 . LYS 102 102 4731 1 . TRP 103 103 4731 1 . ASP 104 104 4731 1 . PHE 105 105 4731 1 . TYR 106 106 4731 1 . CYS 107 107 4731 1 . GLN 108 108 4731 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 4731 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $human_MIA . human . . 'Homo sapiens' 9606 . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4731 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 4731 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $human_MIA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4731 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4731 _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 'human melanoma inhibitory activity protein' . . . 1 $human_MIA . . . 0.1 1.0 mM . . . . 4731 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4731 _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 7.0 0.2 n/a 4731 1 temperature 300 1 K 4731 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4731 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4731 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4731 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 4731 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4731 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4731 1 H 1 H2O protons . . . . ppm 4.73 internal indirect . internal . . . . . . . . 4731 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4731 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4731 _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 $sample_1 . 4731 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO C C 13 173.34 0.05 . 1 . . . . . . . . 4731 1 2 . 1 1 3 3 PRO CA C 13 60.74 0.05 . 1 . . . . . . . . 4731 1 3 . 1 1 3 3 PRO CB C 13 29.91 0.05 . 1 . . . . . . . . 4731 1 4 . 1 1 4 4 MET H H 1 7.83 0.02 . 1 . . . . . . . . 4731 1 5 . 1 1 4 4 MET HA H 1 4.98 0.02 . 1 . . . . . . . . 4731 1 6 . 1 1 4 4 MET HB2 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 7 . 1 1 4 4 MET HB3 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 8 . 1 1 4 4 MET CA C 13 49.63 0.05 . 1 . . . . . . . . 4731 1 9 . 1 1 4 4 MET N N 15 122.77 0.05 . 1 . . . . . . . . 4731 1 10 . 1 1 5 5 PRO C C 13 173.80 0.05 . 1 . . . . . . . . 4731 1 11 . 1 1 5 5 PRO CA C 13 60.19 0.05 . 1 . . . . . . . . 4731 1 12 . 1 1 5 5 PRO CB C 13 29.61 0.05 . 1 . . . . . . . . 4731 1 13 . 1 1 6 6 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 4731 1 14 . 1 1 6 6 LYS HA H 1 4.71 0.02 . 1 . . . . . . . . 4731 1 15 . 1 1 6 6 LYS HB2 H 1 1.15 0.02 . 1 . . . . . . . . 4731 1 16 . 1 1 6 6 LYS HB3 H 1 1.15 0.02 . 1 . . . . . . . . 4731 1 17 . 1 1 6 6 LYS HE2 H 1 2.84 0.02 . 1 . . . . . . . . 4731 1 18 . 1 1 6 6 LYS HE3 H 1 2.84 0.02 . 1 . . . . . . . . 4731 1 19 . 1 1 6 6 LYS CA C 13 54.05 0.05 . 1 . . . . . . . . 4731 1 20 . 1 1 6 6 LYS N N 15 119.83 0.05 . 1 . . . . . . . . 4731 1 21 . 1 1 7 7 LEU C C 13 172.40 0.05 . 1 . . . . . . . . 4731 1 22 . 1 1 7 7 LEU CA C 13 52.47 0.05 . 1 . . . . . . . . 4731 1 23 . 1 1 7 7 LEU CB C 13 40.86 0.05 . 1 . . . . . . . . 4731 1 24 . 1 1 8 8 ALA H H 1 6.54 0.02 . 1 . . . . . . . . 4731 1 25 . 1 1 8 8 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4731 1 26 . 1 1 8 8 ALA HB1 H 1 1.64 0.02 . 1 . . . . . . . . 4731 1 27 . 1 1 8 8 ALA HB2 H 1 1.64 0.02 . 1 . . . . . . . . 4731 1 28 . 1 1 8 8 ALA HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4731 1 29 . 1 1 8 8 ALA CA C 13 48.86 0.05 . 1 . . . . . . . . 4731 1 30 . 1 1 8 8 ALA N N 15 113.22 0.05 . 1 . . . . . . . . 4731 1 31 . 1 1 9 9 ASP C C 13 174.73 0.05 . 1 . . . . . . . . 4731 1 32 . 1 1 9 9 ASP CA C 13 53.60 0.05 . 1 . . . . . . . . 4731 1 33 . 1 1 9 9 ASP CB C 13 40.50 0.05 . 1 . . . . . . . . 4731 1 34 . 1 1 10 10 ARG H H 1 7.77 0.02 . 1 . . . . . . . . 4731 1 35 . 1 1 10 10 ARG HA H 1 5.14 0.02 . 1 . . . . . . . . 4731 1 36 . 1 1 10 10 ARG HB2 H 1 1.52 0.02 . 1 . . . . . . . . 4731 1 37 . 1 1 10 10 ARG HB3 H 1 1.52 0.02 . 1 . . . . . . . . 4731 1 38 . 1 1 10 10 ARG HG2 H 1 1.93 0.02 . 1 . . . . . . . . 4731 1 39 . 1 1 10 10 ARG HG3 H 1 1.93 0.02 . 1 . . . . . . . . 4731 1 40 . 1 1 10 10 ARG HD2 H 1 2.49 0.02 . 2 . . . . . . . . 4731 1 41 . 1 1 10 10 ARG HD3 H 1 2.84 0.02 . 2 . . . . . . . . 4731 1 42 . 1 1 10 10 ARG C C 13 170.35 0.05 . 1 . . . . . . . . 4731 1 43 . 1 1 10 10 ARG CA C 13 52.49 0.05 . 1 . . . . . . . . 4731 1 44 . 1 1 10 10 ARG CB C 13 32.94 0.05 . 1 . . . . . . . . 4731 1 45 . 1 1 10 10 ARG N N 15 120.03 0.05 . 1 . . . . . . . . 4731 1 46 . 1 1 11 11 LYS H H 1 9.29 0.02 . 1 . . . . . . . . 4731 1 47 . 1 1 11 11 LYS HA H 1 5.14 0.02 . 1 . . . . . . . . 4731 1 48 . 1 1 11 11 LYS HB2 H 1 1.49 0.02 . 2 . . . . . . . . 4731 1 49 . 1 1 11 11 LYS C C 13 169.00 0.05 . 1 . . . . . . . . 4731 1 50 . 1 1 11 11 LYS CA C 13 51.78 0.05 . 1 . . . . . . . . 4731 1 51 . 1 1 11 11 LYS CB C 13 34.80 0.05 . 1 . . . . . . . . 4731 1 52 . 1 1 11 11 LYS N N 15 118.43 0.05 . 1 . . . . . . . . 4731 1 53 . 1 1 12 12 LEU H H 1 8.87 0.02 . 1 . . . . . . . . 4731 1 54 . 1 1 12 12 LEU HA H 1 5.20 0.02 . 1 . . . . . . . . 4731 1 55 . 1 1 12 12 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4731 1 56 . 1 1 12 12 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4731 1 57 . 1 1 12 12 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4731 1 58 . 1 1 12 12 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 59 . 1 1 12 12 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 60 . 1 1 12 12 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 61 . 1 1 12 12 LEU C C 13 174.14 0.05 . 1 . . . . . . . . 4731 1 62 . 1 1 12 12 LEU CA C 13 50.67 0.05 . 1 . . . . . . . . 4731 1 63 . 1 1 12 12 LEU CB C 13 41.73 0.05 . 1 . . . . . . . . 4731 1 64 . 1 1 12 12 LEU N N 15 121.43 0.05 . 1 . . . . . . . . 4731 1 65 . 1 1 13 13 CYS H H 1 9.11 0.02 . 1 . . . . . . . . 4731 1 66 . 1 1 13 13 CYS HA H 1 5.00 0.02 . 1 . . . . . . . . 4731 1 67 . 1 1 13 13 CYS HB2 H 1 3.30 0.02 . 2 . . . . . . . . 4731 1 68 . 1 1 13 13 CYS C C 13 170.54 0.05 . 1 . . . . . . . . 4731 1 69 . 1 1 13 13 CYS N N 15 119.43 0.05 . 1 . . . . . . . . 4731 1 70 . 1 1 14 14 ALA H H 1 10.34 0.02 . 1 . . . . . . . . 4731 1 71 . 1 1 14 14 ALA HB1 H 1 1.20 0.02 . 1 . . . . . . . . 4731 1 72 . 1 1 14 14 ALA HB2 H 1 1.20 0.02 . 1 . . . . . . . . 4731 1 73 . 1 1 14 14 ALA HB3 H 1 1.20 0.02 . 1 . . . . . . . . 4731 1 74 . 1 1 14 14 ALA C C 13 174.35 0.05 . 1 . . . . . . . . 4731 1 75 . 1 1 14 14 ALA CA C 13 51.05 0.05 . 1 . . . . . . . . 4731 1 76 . 1 1 14 14 ALA CB C 13 16.97 0.05 . 1 . . . . . . . . 4731 1 77 . 1 1 14 14 ALA N N 15 124.64 0.05 . 1 . . . . . . . . 4731 1 78 . 1 1 15 15 ASP H H 1 7.64 0.02 . 1 . . . . . . . . 4731 1 79 . 1 1 15 15 ASP HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4731 1 80 . 1 1 15 15 ASP HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4731 1 81 . 1 1 15 15 ASP C C 13 173.26 0.05 . 1 . . . . . . . . 4731 1 82 . 1 1 15 15 ASP CA C 13 49.85 0.05 . 1 . . . . . . . . 4731 1 83 . 1 1 15 15 ASP CB C 13 40.62 0.05 . 1 . . . . . . . . 4731 1 84 . 1 1 15 15 ASP N N 15 113.02 0.05 . 1 . . . . . . . . 4731 1 85 . 1 1 16 16 GLN H H 1 8.92 0.02 . 1 . . . . . . . . 4731 1 86 . 1 1 16 16 GLN C C 13 172.81 0.05 . 1 . . . . . . . . 4731 1 87 . 1 1 16 16 GLN CA C 13 56.56 0.05 . 1 . . . . . . . . 4731 1 88 . 1 1 16 16 GLN CB C 13 26.22 0.05 . 1 . . . . . . . . 4731 1 89 . 1 1 16 16 GLN N N 15 119.23 0.05 . 1 . . . . . . . . 4731 1 90 . 1 1 17 17 GLU H H 1 7.70 0.02 . 1 . . . . . . . . 4731 1 91 . 1 1 17 17 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 4731 1 92 . 1 1 17 17 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4731 1 93 . 1 1 17 17 GLU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4731 1 94 . 1 1 17 17 GLU C C 13 172.66 0.05 . 1 . . . . . . . . 4731 1 95 . 1 1 17 17 GLU CA C 13 53.32 0.05 . 1 . . . . . . . . 4731 1 96 . 1 1 17 17 GLU N N 15 114.82 0.05 . 1 . . . . . . . . 4731 1 97 . 1 1 18 18 CYS H H 1 8.33 0.02 . 1 . . . . . . . . 4731 1 98 . 1 1 18 18 CYS HA H 1 4.69 0.02 . 1 . . . . . . . . 4731 1 99 . 1 1 18 18 CYS C C 13 172.50 0.05 . 1 . . . . . . . . 4731 1 100 . 1 1 18 18 CYS N N 15 121.23 0.05 . 1 . . . . . . . . 4731 1 101 . 1 1 19 19 SER H H 1 10.03 0.02 . 1 . . . . . . . . 4731 1 102 . 1 1 19 19 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4731 1 103 . 1 1 19 19 SER HB2 H 1 3.78 0.02 . 2 . . . . . . . . 4731 1 104 . 1 1 19 19 SER HB3 H 1 3.52 0.02 . 2 . . . . . . . . 4731 1 105 . 1 1 19 19 SER C C 13 171.80 0.05 . 1 . . . . . . . . 4731 1 106 . 1 1 19 19 SER CA C 13 56.97 0.05 . 1 . . . . . . . . 4731 1 107 . 1 1 19 19 SER N N 15 115.22 0.05 . 1 . . . . . . . . 4731 1 108 . 1 1 20 20 HIS H H 1 8.31 0.02 . 1 . . . . . . . . 4731 1 109 . 1 1 20 20 HIS HA H 1 4.89 0.02 . 1 . . . . . . . . 4731 1 110 . 1 1 20 20 HIS HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4731 1 111 . 1 1 20 20 HIS CA C 13 59.87 0.05 . 1 . . . . . . . . 4731 1 112 . 1 1 20 20 HIS N N 15 124.24 0.05 . 1 . . . . . . . . 4731 1 113 . 1 1 21 21 PRO HD2 H 1 3.25 0.02 . 2 . . . . . . . . 4731 1 114 . 1 1 21 21 PRO HD3 H 1 3.04 0.02 . 2 . . . . . . . . 4731 1 115 . 1 1 21 21 PRO C C 13 173.15 0.05 . 1 . . . . . . . . 4731 1 116 . 1 1 21 21 PRO CA C 13 60.64 0.05 . 1 . . . . . . . . 4731 1 117 . 1 1 21 21 PRO CB C 13 28.28 0.05 . 1 . . . . . . . . 4731 1 118 . 1 1 22 22 ILE H H 1 9.14 0.02 . 1 . . . . . . . . 4731 1 119 . 1 1 22 22 ILE HA H 1 4.41 0.02 . 1 . . . . . . . . 4731 1 120 . 1 1 22 22 ILE HG21 H 1 0.71 0.02 . 1 . . . . . . . . 4731 1 121 . 1 1 22 22 ILE HG22 H 1 0.71 0.02 . 1 . . . . . . . . 4731 1 122 . 1 1 22 22 ILE HG23 H 1 0.71 0.02 . 1 . . . . . . . . 4731 1 123 . 1 1 22 22 ILE HD11 H 1 0.46 0.02 . 1 . . . . . . . . 4731 1 124 . 1 1 22 22 ILE HD12 H 1 0.46 0.02 . 1 . . . . . . . . 4731 1 125 . 1 1 22 22 ILE HD13 H 1 0.46 0.02 . 1 . . . . . . . . 4731 1 126 . 1 1 22 22 ILE C C 13 175.19 0.05 . 1 . . . . . . . . 4731 1 127 . 1 1 22 22 ILE CA C 13 59.54 0.05 . 1 . . . . . . . . 4731 1 128 . 1 1 22 22 ILE N N 15 121.83 0.05 . 1 . . . . . . . . 4731 1 129 . 1 1 23 23 SER H H 1 7.57 0.02 . 1 . . . . . . . . 4731 1 130 . 1 1 23 23 SER HA H 1 4.87 0.02 . 1 . . . . . . . . 4731 1 131 . 1 1 23 23 SER HB2 H 1 3.76 0.02 . 2 . . . . . . . . 4731 1 132 . 1 1 23 23 SER HB3 H 1 3.70 0.02 . 2 . . . . . . . . 4731 1 133 . 1 1 23 23 SER C C 13 170.03 0.05 . 1 . . . . . . . . 4731 1 134 . 1 1 23 23 SER CA C 13 53.81 0.05 . 1 . . . . . . . . 4731 1 135 . 1 1 23 23 SER CB C 13 62.99 0.05 . 1 . . . . . . . . 4731 1 136 . 1 1 23 23 SER N N 15 109.62 0.05 . 1 . . . . . . . . 4731 1 137 . 1 1 24 24 MET H H 1 8.51 0.02 . 1 . . . . . . . . 4731 1 138 . 1 1 24 24 MET HA H 1 4.79 0.02 . 1 . . . . . . . . 4731 1 139 . 1 1 24 24 MET HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4731 1 140 . 1 1 24 24 MET HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4731 1 141 . 1 1 24 24 MET HG2 H 1 2.12 0.02 . 2 . . . . . . . . 4731 1 142 . 1 1 24 24 MET C C 13 171.57 0.05 . 1 . . . . . . . . 4731 1 143 . 1 1 24 24 MET CA C 13 52.09 0.05 . 1 . . . . . . . . 4731 1 144 . 1 1 24 24 MET CB C 13 33.02 0.05 . 1 . . . . . . . . 4731 1 145 . 1 1 24 24 MET N N 15 118.23 0.05 . 1 . . . . . . . . 4731 1 146 . 1 1 25 25 ALA H H 1 9.42 0.02 . 1 . . . . . . . . 4731 1 147 . 1 1 25 25 ALA HA H 1 5.27 0.02 . 1 . . . . . . . . 4731 1 148 . 1 1 25 25 ALA HB1 H 1 1.14 0.02 . 1 . . . . . . . . 4731 1 149 . 1 1 25 25 ALA HB2 H 1 1.14 0.02 . 1 . . . . . . . . 4731 1 150 . 1 1 25 25 ALA HB3 H 1 1.14 0.02 . 1 . . . . . . . . 4731 1 151 . 1 1 25 25 ALA C C 13 171.61 0.05 . 1 . . . . . . . . 4731 1 152 . 1 1 25 25 ALA CA C 13 47.49 0.05 . 1 . . . . . . . . 4731 1 153 . 1 1 25 25 ALA CB C 13 20.83 0.05 . 1 . . . . . . . . 4731 1 154 . 1 1 25 25 ALA N N 15 129.45 0.05 . 1 . . . . . . . . 4731 1 155 . 1 1 26 26 VAL H H 1 8.40 0.02 . 1 . . . . . . . . 4731 1 156 . 1 1 26 26 VAL HA H 1 4.74 0.02 . 1 . . . . . . . . 4731 1 157 . 1 1 26 26 VAL HB H 1 1.73 0.02 . 1 . . . . . . . . 4731 1 158 . 1 1 26 26 VAL HG11 H 1 0.79 0.02 . 2 . . . . . . . . 4731 1 159 . 1 1 26 26 VAL HG12 H 1 0.79 0.02 . 2 . . . . . . . . 4731 1 160 . 1 1 26 26 VAL HG13 H 1 0.79 0.02 . 2 . . . . . . . . 4731 1 161 . 1 1 26 26 VAL C C 13 173.15 0.05 . 1 . . . . . . . . 4731 1 162 . 1 1 26 26 VAL CA C 13 57.74 0.05 . 1 . . . . . . . . 4731 1 163 . 1 1 26 26 VAL CB C 13 32.55 0.05 . 1 . . . . . . . . 4731 1 164 . 1 1 26 26 VAL N N 15 119.83 0.05 . 1 . . . . . . . . 4731 1 165 . 1 1 27 27 ALA H H 1 8.78 0.02 . 1 . . . . . . . . 4731 1 166 . 1 1 27 27 ALA HA H 1 4.47 0.02 . 1 . . . . . . . . 4731 1 167 . 1 1 27 27 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 4731 1 168 . 1 1 27 27 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 4731 1 169 . 1 1 27 27 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 4731 1 170 . 1 1 27 27 ALA C C 13 176.53 0.05 . 1 . . . . . . . . 4731 1 171 . 1 1 27 27 ALA CA C 13 50.28 0.05 . 1 . . . . . . . . 4731 1 172 . 1 1 27 27 ALA CB C 13 17.15 0.05 . 1 . . . . . . . . 4731 1 173 . 1 1 27 27 ALA N N 15 128.44 0.05 . 1 . . . . . . . . 4731 1 174 . 1 1 28 28 LEU H H 1 9.68 0.02 . 1 . . . . . . . . 4731 1 175 . 1 1 28 28 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4731 1 176 . 1 1 28 28 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 4731 1 177 . 1 1 28 28 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 4731 1 178 . 1 1 28 28 LEU HD11 H 1 0.73 0.02 . 2 . . . . . . . . 4731 1 179 . 1 1 28 28 LEU HD12 H 1 0.73 0.02 . 2 . . . . . . . . 4731 1 180 . 1 1 28 28 LEU HD13 H 1 0.73 0.02 . 2 . . . . . . . . 4731 1 181 . 1 1 28 28 LEU HD21 H 1 0.44 0.02 . 2 . . . . . . . . 4731 1 182 . 1 1 28 28 LEU HD22 H 1 0.44 0.02 . 2 . . . . . . . . 4731 1 183 . 1 1 28 28 LEU HD23 H 1 0.44 0.02 . 2 . . . . . . . . 4731 1 184 . 1 1 28 28 LEU C C 13 173.76 0.05 . 1 . . . . . . . . 4731 1 185 . 1 1 28 28 LEU CA C 13 52.82 0.05 . 1 . . . . . . . . 4731 1 186 . 1 1 28 28 LEU CB C 13 40.94 0.05 . 1 . . . . . . . . 4731 1 187 . 1 1 28 28 LEU N N 15 127.04 0.05 . 1 . . . . . . . . 4731 1 188 . 1 1 29 29 GLN H H 1 7.39 0.02 . 1 . . . . . . . . 4731 1 189 . 1 1 29 29 GLN HA H 1 4.48 0.02 . 1 . . . . . . . . 4731 1 190 . 1 1 29 29 GLN HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4731 1 191 . 1 1 29 29 GLN HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4731 1 192 . 1 1 29 29 GLN C C 13 169.82 0.05 . 1 . . . . . . . . 4731 1 193 . 1 1 29 29 GLN CA C 13 51.12 0.05 . 1 . . . . . . . . 4731 1 194 . 1 1 29 29 GLN CB C 13 30.86 0.05 . 1 . . . . . . . . 4731 1 195 . 1 1 29 29 GLN N N 15 114.02 0.05 . 1 . . . . . . . . 4731 1 196 . 1 1 30 30 ASP H H 1 8.23 0.02 . 1 . . . . . . . . 4731 1 197 . 1 1 30 30 ASP HA H 1 4.77 0.02 . 1 . . . . . . . . 4731 1 198 . 1 1 30 30 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4731 1 199 . 1 1 30 30 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 4731 1 200 . 1 1 30 30 ASP C C 13 173.71 0.05 . 1 . . . . . . . . 4731 1 201 . 1 1 30 30 ASP CA C 13 51.92 0.05 . 1 . . . . . . . . 4731 1 202 . 1 1 30 30 ASP CB C 13 39.43 0.05 . 1 . . . . . . . . 4731 1 203 . 1 1 30 30 ASP N N 15 118.43 0.05 . 1 . . . . . . . . 4731 1 204 . 1 1 31 31 TYR H H 1 9.17 0.02 . 1 . . . . . . . . 4731 1 205 . 1 1 31 31 TYR HA H 1 4.55 0.02 . 1 . . . . . . . . 4731 1 206 . 1 1 31 31 TYR HB2 H 1 2.39 0.02 . 2 . . . . . . . . 4731 1 207 . 1 1 31 31 TYR HD1 H 1 7.34 0.02 . 3 . . . . . . . . 4731 1 208 . 1 1 31 31 TYR HE1 H 1 6.88 0.02 . 3 . . . . . . . . 4731 1 209 . 1 1 31 31 TYR C C 13 170.17 0.05 . 1 . . . . . . . . 4731 1 210 . 1 1 31 31 TYR CA C 13 55.91 0.05 . 1 . . . . . . . . 4731 1 211 . 1 1 31 31 TYR CB C 13 40.52 0.05 . 1 . . . . . . . . 4731 1 212 . 1 1 31 31 TYR N N 15 124.50 0.05 . 1 . . . . . . . . 4731 1 213 . 1 1 32 32 MET H H 1 7.92 0.02 . 1 . . . . . . . . 4731 1 214 . 1 1 32 32 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 4731 1 215 . 1 1 32 32 MET HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4731 1 216 . 1 1 32 32 MET HG2 H 1 2.28 0.02 . 2 . . . . . . . . 4731 1 217 . 1 1 32 32 MET HG3 H 1 2.42 0.02 . 2 . . . . . . . . 4731 1 218 . 1 1 32 32 MET C C 13 171.77 0.05 . 1 . . . . . . . . 4731 1 219 . 1 1 32 32 MET CA C 13 50.48 0.05 . 1 . . . . . . . . 4731 1 220 . 1 1 32 32 MET CB C 13 29.86 0.05 . 1 . . . . . . . . 4731 1 221 . 1 1 32 32 MET N N 15 128.24 0.05 . 1 . . . . . . . . 4731 1 222 . 1 1 33 33 ALA H H 1 7.80 0.02 . 1 . . . . . . . . 4731 1 223 . 1 1 33 33 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 224 . 1 1 33 33 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 225 . 1 1 33 33 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 226 . 1 1 33 33 ALA CA C 13 48.53 0.05 . 1 . . . . . . . . 4731 1 227 . 1 1 33 33 ALA N N 15 129.85 0.05 . 1 . . . . . . . . 4731 1 228 . 1 1 34 34 PRO CA C 13 61.88 0.05 . 1 . . . . . . . . 4731 1 229 . 1 1 35 35 ASP H H 1 7.37 0.02 . 1 . . . . . . . . 4731 1 230 . 1 1 35 35 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 4731 1 231 . 1 1 35 35 ASP HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4731 1 232 . 1 1 35 35 ASP C C 13 173.35 0.05 . 1 . . . . . . . . 4731 1 233 . 1 1 35 35 ASP CA C 13 51.07 0.05 . 1 . . . . . . . . 4731 1 234 . 1 1 35 35 ASP CB C 13 39.68 0.05 . 1 . . . . . . . . 4731 1 235 . 1 1 35 35 ASP N N 15 109.82 0.05 . 1 . . . . . . . . 4731 1 236 . 1 1 36 36 CYS H H 1 8.68 0.02 . 1 . . . . . . . . 4731 1 237 . 1 1 36 36 CYS HA H 1 4.71 0.02 . 1 . . . . . . . . 4731 1 238 . 1 1 36 36 CYS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 4731 1 239 . 1 1 36 36 CYS HB3 H 1 2.98 0.02 . 2 . . . . . . . . 4731 1 240 . 1 1 36 36 CYS C C 13 172.03 0.05 . 1 . . . . . . . . 4731 1 241 . 1 1 36 36 CYS CA C 13 56.08 0.05 . 1 . . . . . . . . 4731 1 242 . 1 1 36 36 CYS CB C 13 39.44 0.05 . 1 . . . . . . . . 4731 1 243 . 1 1 36 36 CYS N N 15 116.03 0.05 . 1 . . . . . . . . 4731 1 244 . 1 1 37 37 ARG H H 1 9.28 0.02 . 1 . . . . . . . . 4731 1 245 . 1 1 37 37 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 4731 1 246 . 1 1 37 37 ARG HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4731 1 247 . 1 1 37 37 ARG HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4731 1 248 . 1 1 37 37 ARG HG2 H 1 1.45 0.02 . 2 . . . . . . . . 4731 1 249 . 1 1 37 37 ARG HG3 H 1 1.60 0.02 . 2 . . . . . . . . 4731 1 250 . 1 1 37 37 ARG C C 13 174.42 0.05 . 1 . . . . . . . . 4731 1 251 . 1 1 37 37 ARG CB C 13 29.89 0.05 . 1 . . . . . . . . 4731 1 252 . 1 1 37 37 ARG N N 15 123.44 0.05 . 1 . . . . . . . . 4731 1 253 . 1 1 38 38 PHE H H 1 8.39 0.02 . 1 . . . . . . . . 4731 1 254 . 1 1 38 38 PHE HA H 1 5.33 0.02 . 1 . . . . . . . . 4731 1 255 . 1 1 38 38 PHE HB2 H 1 3.72 0.02 . 2 . . . . . . . . 4731 1 256 . 1 1 38 38 PHE HB3 H 1 3.07 0.02 . 2 . . . . . . . . 4731 1 257 . 1 1 38 38 PHE C C 13 172.20 0.05 . 1 . . . . . . . . 4731 1 258 . 1 1 38 38 PHE CA C 13 55.01 0.05 . 1 . . . . . . . . 4731 1 259 . 1 1 38 38 PHE CB C 13 39.92 0.05 . 1 . . . . . . . . 4731 1 260 . 1 1 38 38 PHE N N 15 116.63 0.05 . 1 . . . . . . . . 4731 1 261 . 1 1 39 39 LEU H H 1 9.08 0.02 . 1 . . . . . . . . 4731 1 262 . 1 1 39 39 LEU HA H 1 4.59 0.02 . 1 . . . . . . . . 4731 1 263 . 1 1 39 39 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 4731 1 264 . 1 1 39 39 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 4731 1 265 . 1 1 39 39 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4731 1 266 . 1 1 39 39 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4731 1 267 . 1 1 39 39 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4731 1 268 . 1 1 39 39 LEU C C 13 173.04 0.05 . 1 . . . . . . . . 4731 1 269 . 1 1 39 39 LEU CA C 13 51.45 0.05 . 1 . . . . . . . . 4731 1 270 . 1 1 39 39 LEU CB C 13 42.77 0.05 . 1 . . . . . . . . 4731 1 271 . 1 1 39 39 LEU N N 15 122.84 0.05 . 1 . . . . . . . . 4731 1 272 . 1 1 40 40 THR H H 1 7.74 0.02 . 1 . . . . . . . . 4731 1 273 . 1 1 40 40 THR HA H 1 4.86 0.02 . 1 . . . . . . . . 4731 1 274 . 1 1 40 40 THR HB H 1 3.99 0.02 . 1 . . . . . . . . 4731 1 275 . 1 1 40 40 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 4731 1 276 . 1 1 40 40 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 4731 1 277 . 1 1 40 40 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 4731 1 278 . 1 1 40 40 THR C C 13 172.26 0.05 . 1 . . . . . . . . 4731 1 279 . 1 1 40 40 THR CA C 13 60.64 0.05 . 1 . . . . . . . . 4731 1 280 . 1 1 40 40 THR N N 15 118.83 0.05 . 1 . . . . . . . . 4731 1 281 . 1 1 41 41 ILE H H 1 9.05 0.02 . 1 . . . . . . . . 4731 1 282 . 1 1 41 41 ILE HA H 1 4.35 0.02 . 1 . . . . . . . . 4731 1 283 . 1 1 41 41 ILE HB H 1 1.41 0.02 . 1 . . . . . . . . 4731 1 284 . 1 1 41 41 ILE HG12 H 1 1.20 0.02 . 2 . . . . . . . . 4731 1 285 . 1 1 41 41 ILE HG21 H 1 0.65 0.02 . 1 . . . . . . . . 4731 1 286 . 1 1 41 41 ILE HG22 H 1 0.65 0.02 . 1 . . . . . . . . 4731 1 287 . 1 1 41 41 ILE HG23 H 1 0.65 0.02 . 1 . . . . . . . . 4731 1 288 . 1 1 41 41 ILE HD11 H 1 0.23 0.02 . 1 . . . . . . . . 4731 1 289 . 1 1 41 41 ILE HD12 H 1 0.23 0.02 . 1 . . . . . . . . 4731 1 290 . 1 1 41 41 ILE HD13 H 1 0.23 0.02 . 1 . . . . . . . . 4731 1 291 . 1 1 41 41 ILE C C 13 171.54 0.05 . 1 . . . . . . . . 4731 1 292 . 1 1 41 41 ILE CA C 13 57.39 0.05 . 1 . . . . . . . . 4731 1 293 . 1 1 41 41 ILE CB C 13 40.69 0.05 . 1 . . . . . . . . 4731 1 294 . 1 1 41 41 ILE N N 15 128.64 0.05 . 1 . . . . . . . . 4731 1 295 . 1 1 42 42 HIS H H 1 8.59 0.02 . 1 . . . . . . . . 4731 1 296 . 1 1 42 42 HIS HA H 1 5.18 0.02 . 1 . . . . . . . . 4731 1 297 . 1 1 42 42 HIS HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4731 1 298 . 1 1 42 42 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4731 1 299 . 1 1 42 42 HIS C C 13 172.22 0.05 . 1 . . . . . . . . 4731 1 300 . 1 1 42 42 HIS CA C 13 50.82 0.05 . 1 . . . . . . . . 4731 1 301 . 1 1 42 42 HIS CB C 13 28.79 0.05 . 1 . . . . . . . . 4731 1 302 . 1 1 42 42 HIS N N 15 124.64 0.05 . 1 . . . . . . . . 4731 1 303 . 1 1 43 43 ARG H H 1 8.99 0.02 . 1 . . . . . . . . 4731 1 304 . 1 1 43 43 ARG HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4731 1 305 . 1 1 43 43 ARG HG2 H 1 1.40 0.02 . 2 . . . . . . . . 4731 1 306 . 1 1 43 43 ARG HD2 H 1 3.16 0.02 . 2 . . . . . . . . 4731 1 307 . 1 1 43 43 ARG C C 13 173.39 0.05 . 1 . . . . . . . . 4731 1 308 . 1 1 43 43 ARG CA C 13 56.23 0.05 . 1 . . . . . . . . 4731 1 309 . 1 1 43 43 ARG CB C 13 27.77 0.05 . 1 . . . . . . . . 4731 1 310 . 1 1 43 43 ARG N N 15 123.04 0.05 . 1 . . . . . . . . 4731 1 311 . 1 1 44 44 GLY H H 1 8.75 0.02 . 1 . . . . . . . . 4731 1 312 . 1 1 44 44 GLY HA2 H 1 3.42 0.02 . 2 . . . . . . . . 4731 1 313 . 1 1 44 44 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 4731 1 314 . 1 1 44 44 GLY C C 13 170.81 0.05 . 1 . . . . . . . . 4731 1 315 . 1 1 44 44 GLY CA C 13 42.50 0.05 . 1 . . . . . . . . 4731 1 316 . 1 1 44 44 GLY N N 15 115.42 0.05 . 1 . . . . . . . . 4731 1 317 . 1 1 45 45 GLN H H 1 8.07 0.02 . 1 . . . . . . . . 4731 1 318 . 1 1 45 45 GLN C C 13 171.83 0.05 . 1 . . . . . . . . 4731 1 319 . 1 1 45 45 GLN CB C 13 27.87 0.05 . 1 . . . . . . . . 4731 1 320 . 1 1 45 45 GLN N N 15 121.43 0.05 . 1 . . . . . . . . 4731 1 321 . 1 1 46 46 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 4731 1 322 . 1 1 46 46 VAL HA H 1 4.45 0.02 . 1 . . . . . . . . 4731 1 323 . 1 1 46 46 VAL HB H 1 1.85 0.02 . 1 . . . . . . . . 4731 1 324 . 1 1 46 46 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 4731 1 325 . 1 1 46 46 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 4731 1 326 . 1 1 46 46 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 4731 1 327 . 1 1 46 46 VAL HG21 H 1 0.66 0.02 . 2 . . . . . . . . 4731 1 328 . 1 1 46 46 VAL HG22 H 1 0.66 0.02 . 2 . . . . . . . . 4731 1 329 . 1 1 46 46 VAL HG23 H 1 0.66 0.02 . 2 . . . . . . . . 4731 1 330 . 1 1 46 46 VAL C C 13 172.45 0.05 . 1 . . . . . . . . 4731 1 331 . 1 1 46 46 VAL CA C 13 59.87 0.05 . 1 . . . . . . . . 4731 1 332 . 1 1 46 46 VAL N N 15 124.04 0.05 . 1 . . . . . . . . 4731 1 333 . 1 1 47 47 VAL H H 1 8.95 0.02 . 1 . . . . . . . . 4731 1 334 . 1 1 47 47 VAL HA H 1 4.49 0.02 . 1 . . . . . . . . 4731 1 335 . 1 1 47 47 VAL HB H 1 1.48 0.02 . 1 . . . . . . . . 4731 1 336 . 1 1 47 47 VAL HG11 H 1 0.42 0.02 . 2 . . . . . . . . 4731 1 337 . 1 1 47 47 VAL HG12 H 1 0.42 0.02 . 2 . . . . . . . . 4731 1 338 . 1 1 47 47 VAL HG13 H 1 0.42 0.02 . 2 . . . . . . . . 4731 1 339 . 1 1 47 47 VAL C C 13 172.55 0.05 . 1 . . . . . . . . 4731 1 340 . 1 1 47 47 VAL CA C 13 57.43 0.05 . 1 . . . . . . . . 4731 1 341 . 1 1 47 47 VAL CB C 13 32.94 0.05 . 1 . . . . . . . . 4731 1 342 . 1 1 47 47 VAL N N 15 126.92 0.05 . 1 . . . . . . . . 4731 1 343 . 1 1 48 48 TYR H H 1 9.12 0.02 . 1 . . . . . . . . 4731 1 344 . 1 1 48 48 TYR HA H 1 4.85 0.02 . 1 . . . . . . . . 4731 1 345 . 1 1 48 48 TYR HB2 H 1 3.10 0.02 . 2 . . . . . . . . 4731 1 346 . 1 1 48 48 TYR HD1 H 1 6.83 0.02 . 3 . . . . . . . . 4731 1 347 . 1 1 48 48 TYR HE1 H 1 6.71 0.02 . 3 . . . . . . . . 4731 1 348 . 1 1 48 48 TYR C C 13 172.47 0.05 . 1 . . . . . . . . 4731 1 349 . 1 1 48 48 TYR CA C 13 55.27 0.05 . 1 . . . . . . . . 4731 1 350 . 1 1 48 48 TYR CB C 13 37.35 0.05 . 1 . . . . . . . . 4731 1 351 . 1 1 48 48 TYR N N 15 126.04 0.05 . 1 . . . . . . . . 4731 1 352 . 1 1 49 49 VAL H H 1 8.91 0.02 . 1 . . . . . . . . 4731 1 353 . 1 1 49 49 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 4731 1 354 . 1 1 49 49 VAL HB H 1 2.44 0.02 . 1 . . . . . . . . 4731 1 355 . 1 1 49 49 VAL HG11 H 1 1.06 0.02 . 2 . . . . . . . . 4731 1 356 . 1 1 49 49 VAL HG12 H 1 1.06 0.02 . 2 . . . . . . . . 4731 1 357 . 1 1 49 49 VAL HG13 H 1 1.06 0.02 . 2 . . . . . . . . 4731 1 358 . 1 1 49 49 VAL HG21 H 1 0.64 0.02 . 2 . . . . . . . . 4731 1 359 . 1 1 49 49 VAL HG22 H 1 0.64 0.02 . 2 . . . . . . . . 4731 1 360 . 1 1 49 49 VAL HG23 H 1 0.64 0.02 . 2 . . . . . . . . 4731 1 361 . 1 1 49 49 VAL C C 13 173.33 0.05 . 1 . . . . . . . . 4731 1 362 . 1 1 49 49 VAL CA C 13 60.95 0.05 . 1 . . . . . . . . 4731 1 363 . 1 1 49 49 VAL N N 15 126.44 0.05 . 1 . . . . . . . . 4731 1 364 . 1 1 50 50 PHE H H 1 9.76 0.02 . 1 . . . . . . . . 4731 1 365 . 1 1 50 50 PHE HA H 1 4.43 0.02 . 1 . . . . . . . . 4731 1 366 . 1 1 50 50 PHE HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4731 1 367 . 1 1 50 50 PHE HB3 H 1 2.77 0.02 . 2 . . . . . . . . 4731 1 368 . 1 1 50 50 PHE HD1 H 1 7.05 0.02 . 3 . . . . . . . . 4731 1 369 . 1 1 50 50 PHE C C 13 171.45 0.05 . 1 . . . . . . . . 4731 1 370 . 1 1 50 50 PHE CA C 13 57.96 0.05 . 1 . . . . . . . . 4731 1 371 . 1 1 50 50 PHE CB C 13 39.99 0.05 . 1 . . . . . . . . 4731 1 372 . 1 1 50 50 PHE N N 15 128.24 0.05 . 1 . . . . . . . . 4731 1 373 . 1 1 51 51 SER H H 1 8.51 0.02 . 1 . . . . . . . . 4731 1 374 . 1 1 51 51 SER HA H 1 5.41 0.02 . 1 . . . . . . . . 4731 1 375 . 1 1 51 51 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 4731 1 376 . 1 1 51 51 SER HB3 H 1 3.54 0.02 . 2 . . . . . . . . 4731 1 377 . 1 1 51 51 SER C C 13 171.04 0.05 . 1 . . . . . . . . 4731 1 378 . 1 1 51 51 SER CA C 13 53.86 0.05 . 1 . . . . . . . . 4731 1 379 . 1 1 51 51 SER CB C 13 65.00 0.05 . 1 . . . . . . . . 4731 1 380 . 1 1 51 51 SER N N 15 112.62 0.05 . 1 . . . . . . . . 4731 1 381 . 1 1 52 52 LYS H H 1 8.54 0.02 . 1 . . . . . . . . 4731 1 382 . 1 1 52 52 LYS C C 13 173.64 0.05 . 1 . . . . . . . . 4731 1 383 . 1 1 52 52 LYS CA C 13 53.26 0.05 . 1 . . . . . . . . 4731 1 384 . 1 1 52 52 LYS CB C 13 32.19 0.05 . 1 . . . . . . . . 4731 1 385 . 1 1 52 52 LYS N N 15 121.23 0.05 . 1 . . . . . . . . 4731 1 386 . 1 1 53 53 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4731 1 387 . 1 1 53 53 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 4731 1 388 . 1 1 53 53 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4731 1 389 . 1 1 53 53 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 4731 1 390 . 1 1 53 53 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 4731 1 391 . 1 1 53 53 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 4731 1 392 . 1 1 53 53 LEU C C 13 173.22 0.05 . 1 . . . . . . . . 4731 1 393 . 1 1 53 53 LEU CA C 13 53.88 0.05 . 1 . . . . . . . . 4731 1 394 . 1 1 53 53 LEU CB C 13 37.22 0.05 . 1 . . . . . . . . 4731 1 395 . 1 1 53 53 LEU N N 15 122.64 0.05 . 1 . . . . . . . . 4731 1 396 . 1 1 54 54 LYS H H 1 7.36 0.02 . 1 . . . . . . . . 4731 1 397 . 1 1 54 54 LYS HA H 1 4.71 0.02 . 1 . . . . . . . . 4731 1 398 . 1 1 54 54 LYS HB2 H 1 1.32 0.02 . 2 . . . . . . . . 4731 1 399 . 1 1 54 54 LYS C C 13 176.27 0.05 . 1 . . . . . . . . 4731 1 400 . 1 1 54 54 LYS CA C 13 51.98 0.05 . 1 . . . . . . . . 4731 1 401 . 1 1 54 54 LYS CB C 13 33.26 0.05 . 1 . . . . . . . . 4731 1 402 . 1 1 54 54 LYS N N 15 116.63 0.05 . 1 . . . . . . . . 4731 1 403 . 1 1 55 55 GLY H H 1 9.24 0.02 . 1 . . . . . . . . 4731 1 404 . 1 1 55 55 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4731 1 405 . 1 1 55 55 GLY HA3 H 1 3.81 0.02 . 2 . . . . . . . . 4731 1 406 . 1 1 55 55 GLY CA C 13 44.66 0.05 . 1 . . . . . . . . 4731 1 407 . 1 1 55 55 GLY N N 15 113.02 0.05 . 1 . . . . . . . . 4731 1 408 . 1 1 56 56 ARG C C 13 174.52 0.05 . 1 . . . . . . . . 4731 1 409 . 1 1 56 56 ARG CA C 13 55.56 0.05 . 1 . . . . . . . . 4731 1 410 . 1 1 56 56 ARG CB C 13 26.51 0.05 . 1 . . . . . . . . 4731 1 411 . 1 1 57 57 GLY H H 1 7.66 0.02 . 1 . . . . . . . . 4731 1 412 . 1 1 57 57 GLY HA2 H 1 3.48 0.02 . 2 . . . . . . . . 4731 1 413 . 1 1 57 57 GLY C C 13 171.00 0.05 . 1 . . . . . . . . 4731 1 414 . 1 1 57 57 GLY CA C 13 43.36 0.05 . 1 . . . . . . . . 4731 1 415 . 1 1 57 57 GLY N N 15 108.01 0.05 . 1 . . . . . . . . 4731 1 416 . 1 1 58 58 ARG H H 1 7.36 0.02 . 1 . . . . . . . . 4731 1 417 . 1 1 58 58 ARG HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4731 1 418 . 1 1 58 58 ARG HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4731 1 419 . 1 1 58 58 ARG HG2 H 1 1.69 0.02 . 2 . . . . . . . . 4731 1 420 . 1 1 58 58 ARG C C 13 173.52 0.05 . 1 . . . . . . . . 4731 1 421 . 1 1 58 58 ARG CA C 13 55.35 0.05 . 1 . . . . . . . . 4731 1 422 . 1 1 58 58 ARG CB C 13 27.32 0.05 . 1 . . . . . . . . 4731 1 423 . 1 1 58 58 ARG N N 15 117.03 0.05 . 1 . . . . . . . . 4731 1 424 . 1 1 59 59 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 4731 1 425 . 1 1 59 59 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 4731 1 426 . 1 1 59 59 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 4731 1 427 . 1 1 59 59 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 4731 1 428 . 1 1 59 59 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 4731 1 429 . 1 1 59 59 LEU HD21 H 1 0.63 0.02 . 2 . . . . . . . . 4731 1 430 . 1 1 59 59 LEU HD22 H 1 0.63 0.02 . 2 . . . . . . . . 4731 1 431 . 1 1 59 59 LEU HD23 H 1 0.63 0.02 . 2 . . . . . . . . 4731 1 432 . 1 1 59 59 LEU C C 13 173.61 0.05 . 1 . . . . . . . . 4731 1 433 . 1 1 59 59 LEU CA C 13 54.09 0.05 . 1 . . . . . . . . 4731 1 434 . 1 1 59 59 LEU CB C 13 39.12 0.05 . 1 . . . . . . . . 4731 1 435 . 1 1 59 59 LEU N N 15 121.83 0.05 . 1 . . . . . . . . 4731 1 436 . 1 1 60 60 PHE H H 1 8.62 0.02 . 1 . . . . . . . . 4731 1 437 . 1 1 60 60 PHE HA H 1 5.10 0.02 . 1 . . . . . . . . 4731 1 438 . 1 1 60 60 PHE HB2 H 1 3.04 0.02 . 2 . . . . . . . . 4731 1 439 . 1 1 60 60 PHE HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4731 1 440 . 1 1 60 60 PHE HD1 H 1 6.96 0.02 . 3 . . . . . . . . 4731 1 441 . 1 1 60 60 PHE C C 13 171.08 0.05 . 1 . . . . . . . . 4731 1 442 . 1 1 60 60 PHE CA C 13 55.08 0.05 . 1 . . . . . . . . 4731 1 443 . 1 1 60 60 PHE CB C 13 39.16 0.05 . 1 . . . . . . . . 4731 1 444 . 1 1 60 60 PHE N N 15 117.63 0.05 . 1 . . . . . . . . 4731 1 445 . 1 1 61 61 TRP H H 1 8.72 0.02 . 1 . . . . . . . . 4731 1 446 . 1 1 61 61 TRP HA H 1 5.25 0.02 . 1 . . . . . . . . 4731 1 447 . 1 1 61 61 TRP HB2 H 1 3.19 0.02 . 2 . . . . . . . . 4731 1 448 . 1 1 61 61 TRP HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4731 1 449 . 1 1 61 61 TRP HD1 H 1 7.50 0.02 . 1 . . . . . . . . 4731 1 450 . 1 1 61 61 TRP HE1 H 1 9.70 0.02 . 1 . . . . . . . . 4731 1 451 . 1 1 61 61 TRP HE3 H 1 7.34 0.02 . 1 . . . . . . . . 4731 1 452 . 1 1 61 61 TRP HZ2 H 1 7.07 0.02 . 1 . . . . . . . . 4731 1 453 . 1 1 61 61 TRP HZ3 H 1 6.67 0.02 . 1 . . . . . . . . 4731 1 454 . 1 1 61 61 TRP C C 13 170.98 0.05 . 1 . . . . . . . . 4731 1 455 . 1 1 61 61 TRP CA C 13 50.01 0.05 . 1 . . . . . . . . 4731 1 456 . 1 1 61 61 TRP CB C 13 31.34 0.05 . 1 . . . . . . . . 4731 1 457 . 1 1 61 61 TRP N N 15 122.44 0.05 . 1 . . . . . . . . 4731 1 458 . 1 1 61 61 TRP NE1 N 15 124.45 0.05 . 1 . . . . . . . . 4731 1 459 . 1 1 62 62 GLY H H 1 9.21 0.02 . 1 . . . . . . . . 4731 1 460 . 1 1 62 62 GLY HA2 H 1 4.63 0.02 . 2 . . . . . . . . 4731 1 461 . 1 1 62 62 GLY C C 13 172.32 0.05 . 1 . . . . . . . . 4731 1 462 . 1 1 62 62 GLY CA C 13 41.68 0.05 . 1 . . . . . . . . 4731 1 463 . 1 1 62 62 GLY N N 15 107.61 0.05 . 1 . . . . . . . . 4731 1 464 . 1 1 63 63 GLY H H 1 9.34 0.02 . 1 . . . . . . . . 4731 1 465 . 1 1 63 63 GLY HA2 H 1 5.05 0.02 . 2 . . . . . . . . 4731 1 466 . 1 1 63 63 GLY C C 13 167.29 0.05 . 1 . . . . . . . . 4731 1 467 . 1 1 63 63 GLY CA C 13 44.99 0.05 . 1 . . . . . . . . 4731 1 468 . 1 1 63 63 GLY N N 15 112.22 0.05 . 1 . . . . . . . . 4731 1 469 . 1 1 64 64 SER H H 1 9.01 0.02 . 1 . . . . . . . . 4731 1 470 . 1 1 64 64 SER HA H 1 5.18 0.02 . 1 . . . . . . . . 4731 1 471 . 1 1 64 64 SER HB2 H 1 3.70 0.02 . 2 . . . . . . . . 4731 1 472 . 1 1 64 64 SER HB3 H 1 3.77 0.02 . 2 . . . . . . . . 4731 1 473 . 1 1 64 64 SER C C 13 171.91 0.05 . 1 . . . . . . . . 4731 1 474 . 1 1 64 64 SER CA C 13 54.19 0.05 . 1 . . . . . . . . 4731 1 475 . 1 1 64 64 SER CB C 13 64.57 0.05 . 1 . . . . . . . . 4731 1 476 . 1 1 64 64 SER N N 15 113.62 0.05 . 1 . . . . . . . . 4731 1 477 . 1 1 65 65 VAL H H 1 8.93 0.02 . 1 . . . . . . . . 4731 1 478 . 1 1 65 65 VAL HA H 1 4.57 0.02 . 1 . . . . . . . . 4731 1 479 . 1 1 65 65 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 4731 1 480 . 1 1 65 65 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 4731 1 481 . 1 1 65 65 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 4731 1 482 . 1 1 65 65 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 4731 1 483 . 1 1 65 65 VAL C C 13 172.36 0.05 . 1 . . . . . . . . 4731 1 484 . 1 1 65 65 VAL CA C 13 59.75 0.05 . 1 . . . . . . . . 4731 1 485 . 1 1 65 65 VAL N N 15 122.44 0.05 . 1 . . . . . . . . 4731 1 486 . 1 1 66 66 GLN H H 1 8.72 0.02 . 1 . . . . . . . . 4731 1 487 . 1 1 66 66 GLN HA H 1 4.35 0.02 . 1 . . . . . . . . 4731 1 488 . 1 1 66 66 GLN HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4731 1 489 . 1 1 66 66 GLN C C 13 171.43 0.05 . 1 . . . . . . . . 4731 1 490 . 1 1 66 66 GLN CB C 13 27.62 0.05 . 1 . . . . . . . . 4731 1 491 . 1 1 66 66 GLN N N 15 126.24 0.05 . 1 . . . . . . . . 4731 1 492 . 1 1 67 67 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 4731 1 493 . 1 1 67 67 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 4731 1 494 . 1 1 67 67 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 4731 1 495 . 1 1 67 67 GLY CA C 13 42.95 0.05 . 1 . . . . . . . . 4731 1 496 . 1 1 67 67 GLY N N 15 113.02 0.05 . 1 . . . . . . . . 4731 1 497 . 1 1 68 68 ASP H H 1 8.15 0.02 . 1 . . . . . . . . 4731 1 498 . 1 1 68 68 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4731 1 499 . 1 1 68 68 ASP HB2 H 1 2.50 0.02 . 2 . . . . . . . . 4731 1 500 . 1 1 68 68 ASP C C 13 173.04 0.05 . 1 . . . . . . . . 4731 1 501 . 1 1 68 68 ASP CA C 13 51.95 0.05 . 1 . . . . . . . . 4731 1 502 . 1 1 68 68 ASP CB C 13 38.86 0.05 . 1 . . . . . . . . 4731 1 503 . 1 1 68 68 ASP N N 15 121.43 0.05 . 1 . . . . . . . . 4731 1 504 . 1 1 69 69 TYR H H 1 7.87 0.02 . 1 . . . . . . . . 4731 1 505 . 1 1 69 69 TYR HA H 1 4.44 0.02 . 1 . . . . . . . . 4731 1 506 . 1 1 69 69 TYR HB2 H 1 2.79 0.02 . 2 . . . . . . . . 4731 1 507 . 1 1 69 69 TYR HD1 H 1 6.79 0.02 . 3 . . . . . . . . 4731 1 508 . 1 1 69 69 TYR C C 13 173.62 0.05 . 1 . . . . . . . . 4731 1 509 . 1 1 69 69 TYR CA C 13 55.39 0.05 . 1 . . . . . . . . 4731 1 510 . 1 1 69 69 TYR CB C 13 36.58 0.05 . 1 . . . . . . . . 4731 1 511 . 1 1 69 69 TYR N N 15 120.64 0.05 . 1 . . . . . . . . 4731 1 512 . 1 1 70 70 TYR H H 1 8.15 0.02 . 1 . . . . . . . . 4731 1 513 . 1 1 70 70 TYR HA H 1 4.34 0.02 . 1 . . . . . . . . 4731 1 514 . 1 1 70 70 TYR HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4731 1 515 . 1 1 70 70 TYR HB3 H 1 2.80 0.02 . 2 . . . . . . . . 4731 1 516 . 1 1 70 70 TYR HD1 H 1 6.98 0.02 . 3 . . . . . . . . 4731 1 517 . 1 1 70 70 TYR C C 13 173.57 0.05 . 1 . . . . . . . . 4731 1 518 . 1 1 70 70 TYR CA C 13 55.88 0.05 . 1 . . . . . . . . 4731 1 519 . 1 1 70 70 TYR CB C 13 36.08 0.05 . 1 . . . . . . . . 4731 1 520 . 1 1 70 70 TYR N N 15 122.23 0.05 . 1 . . . . . . . . 4731 1 521 . 1 1 71 71 GLY H H 1 7.72 0.02 . 1 . . . . . . . . 4731 1 522 . 1 1 71 71 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 4731 1 523 . 1 1 71 71 GLY HA3 H 1 3.65 0.02 . 2 . . . . . . . . 4731 1 524 . 1 1 71 71 GLY CA C 13 43.17 0.05 . 1 . . . . . . . . 4731 1 525 . 1 1 71 71 GLY N N 15 110.82 0.05 . 1 . . . . . . . . 4731 1 526 . 1 1 72 72 ASP CA C 13 51.87 0.05 . 1 . . . . . . . . 4731 1 527 . 1 1 72 72 ASP CB C 13 38.67 0.05 . 1 . . . . . . . . 4731 1 528 . 1 1 73 73 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 4731 1 529 . 1 1 73 73 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 4731 1 530 . 1 1 73 73 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 4731 1 531 . 1 1 73 73 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 532 . 1 1 73 73 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 533 . 1 1 73 73 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 534 . 1 1 73 73 LEU CA C 13 53.49 0.05 . 1 . . . . . . . . 4731 1 535 . 1 1 73 73 LEU CB C 13 39.67 0.05 . 1 . . . . . . . . 4731 1 536 . 1 1 73 73 LEU N N 15 123.44 0.05 . 1 . . . . . . . . 4731 1 537 . 1 1 74 74 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 4731 1 538 . 1 1 74 74 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 4731 1 539 . 1 1 74 74 ALA HB1 H 1 1.21 0.02 . 1 . . . . . . . . 4731 1 540 . 1 1 74 74 ALA HB2 H 1 1.21 0.02 . 1 . . . . . . . . 4731 1 541 . 1 1 74 74 ALA HB3 H 1 1.21 0.02 . 1 . . . . . . . . 4731 1 542 . 1 1 74 74 ALA CA C 13 50.16 0.05 . 1 . . . . . . . . 4731 1 543 . 1 1 74 74 ALA N N 15 124.24 0.05 . 1 . . . . . . . . 4731 1 544 . 1 1 75 75 ALA H H 1 7.82 0.02 . 1 . . . . . . . . 4731 1 545 . 1 1 75 75 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 4731 1 546 . 1 1 75 75 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 547 . 1 1 75 75 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 548 . 1 1 75 75 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 4731 1 549 . 1 1 75 75 ALA C C 13 174.70 0.05 . 1 . . . . . . . . 4731 1 550 . 1 1 75 75 ALA CA C 13 50.18 0.05 . 1 . . . . . . . . 4731 1 551 . 1 1 75 75 ALA CB C 13 16.92 0.05 . 1 . . . . . . . . 4731 1 552 . 1 1 75 75 ALA N N 15 123.24 0.05 . 1 . . . . . . . . 4731 1 553 . 1 1 76 76 ARG H H 1 7.85 0.02 . 1 . . . . . . . . 4731 1 554 . 1 1 76 76 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4731 1 555 . 1 1 76 76 ARG HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4731 1 556 . 1 1 76 76 ARG HG2 H 1 1.52 0.02 . 2 . . . . . . . . 4731 1 557 . 1 1 76 76 ARG HD2 H 1 3.12 0.02 . 2 . . . . . . . . 4731 1 558 . 1 1 76 76 ARG CA C 13 53.29 0.05 . 1 . . . . . . . . 4731 1 559 . 1 1 76 76 ARG N N 15 120.44 0.05 . 1 . . . . . . . . 4731 1 560 . 1 1 77 77 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 4731 1 561 . 1 1 77 77 LEU HA H 1 4.67 0.02 . 1 . . . . . . . . 4731 1 562 . 1 1 77 77 LEU HB2 H 1 1.27 0.02 . 2 . . . . . . . . 4731 1 563 . 1 1 77 77 LEU HD11 H 1 0.48 0.02 . 2 . . . . . . . . 4731 1 564 . 1 1 77 77 LEU HD12 H 1 0.48 0.02 . 2 . . . . . . . . 4731 1 565 . 1 1 77 77 LEU HD13 H 1 0.48 0.02 . 2 . . . . . . . . 4731 1 566 . 1 1 77 77 LEU HD21 H 1 0.29 0.02 . 2 . . . . . . . . 4731 1 567 . 1 1 77 77 LEU HD22 H 1 0.29 0.02 . 2 . . . . . . . . 4731 1 568 . 1 1 77 77 LEU HD23 H 1 0.29 0.02 . 2 . . . . . . . . 4731 1 569 . 1 1 77 77 LEU C C 13 174.65 0.05 . 1 . . . . . . . . 4731 1 570 . 1 1 77 77 LEU CA C 13 51.89 0.05 . 1 . . . . . . . . 4731 1 571 . 1 1 77 77 LEU CB C 13 40.93 0.05 . 1 . . . . . . . . 4731 1 572 . 1 1 77 77 LEU N N 15 126.44 0.05 . 1 . . . . . . . . 4731 1 573 . 1 1 78 78 GLY H H 1 8.78 0.02 . 1 . . . . . . . . 4731 1 574 . 1 1 78 78 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 4731 1 575 . 1 1 78 78 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 4731 1 576 . 1 1 78 78 GLY CA C 13 42.45 0.05 . 1 . . . . . . . . 4731 1 577 . 1 1 78 78 GLY N N 15 110.82 0.05 . 1 . . . . . . . . 4731 1 578 . 1 1 79 79 TYR H H 1 8.41 0.02 . 1 . . . . . . . . 4731 1 579 . 1 1 79 79 TYR HA H 1 5.75 0.02 . 1 . . . . . . . . 4731 1 580 . 1 1 79 79 TYR HB2 H 1 2.63 0.02 . 2 . . . . . . . . 4731 1 581 . 1 1 79 79 TYR HD1 H 1 6.87 0.02 . 3 . . . . . . . . 4731 1 582 . 1 1 79 79 TYR C C 13 173.38 0.05 . 1 . . . . . . . . 4731 1 583 . 1 1 79 79 TYR CA C 13 55.93 0.05 . 1 . . . . . . . . 4731 1 584 . 1 1 79 79 TYR CB C 13 38.90 0.05 . 1 . . . . . . . . 4731 1 585 . 1 1 79 79 TYR N N 15 118.32 0.05 . 1 . . . . . . . . 4731 1 586 . 1 1 80 80 PHE H H 1 8.80 0.02 . 1 . . . . . . . . 4731 1 587 . 1 1 80 80 PHE HA H 1 5.18 0.02 . 1 . . . . . . . . 4731 1 588 . 1 1 80 80 PHE HB2 H 1 2.45 0.02 . 2 . . . . . . . . 4731 1 589 . 1 1 80 80 PHE HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4731 1 590 . 1 1 80 80 PHE CA C 13 53.00 0.05 . 1 . . . . . . . . 4731 1 591 . 1 1 80 80 PHE N N 15 115.22 0.05 . 1 . . . . . . . . 4731 1 592 . 1 1 81 81 PRO HD2 H 1 3.43 0.02 . 2 . . . . . . . . 4731 1 593 . 1 1 81 81 PRO HD3 H 1 3.38 0.02 . 2 . . . . . . . . 4731 1 594 . 1 1 81 81 PRO C C 13 175.21 0.05 . 1 . . . . . . . . 4731 1 595 . 1 1 81 81 PRO CA C 13 59.74 0.05 . 1 . . . . . . . . 4731 1 596 . 1 1 81 81 PRO CB C 13 28.53 0.05 . 1 . . . . . . . . 4731 1 597 . 1 1 82 82 SER H H 1 8.63 0.02 . 1 . . . . . . . . 4731 1 598 . 1 1 82 82 SER HA H 1 5.10 0.02 . 1 . . . . . . . . 4731 1 599 . 1 1 82 82 SER HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4731 1 600 . 1 1 82 82 SER C C 13 172.91 0.05 . 1 . . . . . . . . 4731 1 601 . 1 1 82 82 SER CA C 13 58.25 0.05 . 1 . . . . . . . . 4731 1 602 . 1 1 82 82 SER N N 15 123.64 0.05 . 1 . . . . . . . . 4731 1 603 . 1 1 83 83 SER H H 1 7.61 0.02 . 1 . . . . . . . . 4731 1 604 . 1 1 83 83 SER HA H 1 3.96 0.02 . 1 . . . . . . . . 4731 1 605 . 1 1 83 83 SER HB2 H 1 3.82 0.02 . 2 . . . . . . . . 4731 1 606 . 1 1 83 83 SER HB3 H 1 3.65 0.02 . 2 . . . . . . . . 4731 1 607 . 1 1 83 83 SER C C 13 173.35 0.05 . 1 . . . . . . . . 4731 1 608 . 1 1 83 83 SER CA C 13 57.27 0.05 . 1 . . . . . . . . 4731 1 609 . 1 1 83 83 SER CB C 13 60.27 0.05 . 1 . . . . . . . . 4731 1 610 . 1 1 83 83 SER N N 15 114.02 0.05 . 1 . . . . . . . . 4731 1 611 . 1 1 84 84 ILE H H 1 7.22 0.02 . 1 . . . . . . . . 4731 1 612 . 1 1 84 84 ILE HA H 1 4.27 0.02 . 1 . . . . . . . . 4731 1 613 . 1 1 84 84 ILE HB H 1 2.08 0.02 . 1 . . . . . . . . 4731 1 614 . 1 1 84 84 ILE HG12 H 1 1.14 0.02 . 2 . . . . . . . . 4731 1 615 . 1 1 84 84 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 4731 1 616 . 1 1 84 84 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 4731 1 617 . 1 1 84 84 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 4731 1 618 . 1 1 84 84 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . 4731 1 619 . 1 1 84 84 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . 4731 1 620 . 1 1 84 84 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . 4731 1 621 . 1 1 84 84 ILE C C 13 172.27 0.05 . 1 . . . . . . . . 4731 1 622 . 1 1 84 84 ILE CA C 13 58.90 0.05 . 1 . . . . . . . . 4731 1 623 . 1 1 84 84 ILE CB C 13 35.56 0.05 . 1 . . . . . . . . 4731 1 624 . 1 1 84 84 ILE N N 15 115.42 0.05 . 1 . . . . . . . . 4731 1 625 . 1 1 85 85 VAL H H 1 7.47 0.02 . 1 . . . . . . . . 4731 1 626 . 1 1 85 85 VAL HA H 1 5.28 0.02 . 1 . . . . . . . . 4731 1 627 . 1 1 85 85 VAL HB H 1 1.57 0.02 . 1 . . . . . . . . 4731 1 628 . 1 1 85 85 VAL HG11 H 1 0.79 0.02 . 2 . . . . . . . . 4731 1 629 . 1 1 85 85 VAL HG12 H 1 0.79 0.02 . 2 . . . . . . . . 4731 1 630 . 1 1 85 85 VAL HG13 H 1 0.79 0.02 . 2 . . . . . . . . 4731 1 631 . 1 1 85 85 VAL C C 13 171.12 0.05 . 1 . . . . . . . . 4731 1 632 . 1 1 85 85 VAL CA C 13 55.59 0.05 . 1 . . . . . . . . 4731 1 633 . 1 1 85 85 VAL CB C 13 33.08 0.05 . 1 . . . . . . . . 4731 1 634 . 1 1 85 85 VAL N N 15 111.62 0.05 . 1 . . . . . . . . 4731 1 635 . 1 1 86 86 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 4731 1 636 . 1 1 86 86 ARG HA H 1 4.70 0.02 . 1 . . . . . . . . 4731 1 637 . 1 1 86 86 ARG HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4731 1 638 . 1 1 86 86 ARG C C 13 173.76 0.05 . 1 . . . . . . . . 4731 1 639 . 1 1 86 86 ARG CA C 13 51.64 0.05 . 1 . . . . . . . . 4731 1 640 . 1 1 86 86 ARG CB C 13 30.85 0.05 . 1 . . . . . . . . 4731 1 641 . 1 1 86 86 ARG N N 15 121.02 0.05 . 1 . . . . . . . . 4731 1 642 . 1 1 87 87 GLU H H 1 9.27 0.02 . 1 . . . . . . . . 4731 1 643 . 1 1 87 87 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 4731 1 644 . 1 1 87 87 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4731 1 645 . 1 1 87 87 GLU HG2 H 1 2.42 0.02 . 2 . . . . . . . . 4731 1 646 . 1 1 87 87 GLU C C 13 172.24 0.05 . 1 . . . . . . . . 4731 1 647 . 1 1 87 87 GLU CA C 13 55.71 0.05 . 1 . . . . . . . . 4731 1 648 . 1 1 87 87 GLU CB C 13 28.39 0.05 . 1 . . . . . . . . 4731 1 649 . 1 1 87 87 GLU N N 15 128.24 0.05 . 1 . . . . . . . . 4731 1 650 . 1 1 88 88 ASP H H 1 8.90 0.02 . 1 . . . . . . . . 4731 1 651 . 1 1 88 88 ASP HA H 1 4.88 0.02 . 1 . . . . . . . . 4731 1 652 . 1 1 88 88 ASP HB2 H 1 2.57 0.02 . 2 . . . . . . . . 4731 1 653 . 1 1 88 88 ASP HB3 H 1 2.35 0.02 . 2 . . . . . . . . 4731 1 654 . 1 1 88 88 ASP C C 13 173.44 0.05 . 1 . . . . . . . . 4731 1 655 . 1 1 88 88 ASP CA C 13 52.76 0.05 . 1 . . . . . . . . 4731 1 656 . 1 1 88 88 ASP CB C 13 41.24 0.05 . 1 . . . . . . . . 4731 1 657 . 1 1 88 88 ASP N N 15 129.05 0.05 . 1 . . . . . . . . 4731 1 658 . 1 1 89 89 GLN H H 1 7.62 0.02 . 1 . . . . . . . . 4731 1 659 . 1 1 89 89 GLN HA H 1 4.49 0.02 . 1 . . . . . . . . 4731 1 660 . 1 1 89 89 GLN HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4731 1 661 . 1 1 89 89 GLN HG2 H 1 2.12 0.02 . 2 . . . . . . . . 4731 1 662 . 1 1 89 89 GLN HG3 H 1 2.20 0.02 . 2 . . . . . . . . 4731 1 663 . 1 1 89 89 GLN C C 13 172.31 0.05 . 1 . . . . . . . . 4731 1 664 . 1 1 89 89 GLN CA C 13 52.88 0.05 . 1 . . . . . . . . 4731 1 665 . 1 1 89 89 GLN CB C 13 29.42 0.05 . 1 . . . . . . . . 4731 1 666 . 1 1 89 89 GLN N N 15 117.83 0.05 . 1 . . . . . . . . 4731 1 667 . 1 1 90 90 THR H H 1 8.93 0.02 . 1 . . . . . . . . 4731 1 668 . 1 1 90 90 THR HA H 1 4.71 0.02 . 1 . . . . . . . . 4731 1 669 . 1 1 90 90 THR HB H 1 3.97 0.02 . 1 . . . . . . . . 4731 1 670 . 1 1 90 90 THR HG21 H 1 0.97 0.02 . 1 . . . . . . . . 4731 1 671 . 1 1 90 90 THR HG22 H 1 0.97 0.02 . 1 . . . . . . . . 4731 1 672 . 1 1 90 90 THR HG23 H 1 0.97 0.02 . 1 . . . . . . . . 4731 1 673 . 1 1 90 90 THR C C 13 171.06 0.05 . 1 . . . . . . . . 4731 1 674 . 1 1 90 90 THR CA C 13 61.04 0.05 . 1 . . . . . . . . 4731 1 675 . 1 1 90 90 THR CB C 13 66.37 0.05 . 1 . . . . . . . . 4731 1 676 . 1 1 90 90 THR N N 15 123.64 0.05 . 1 . . . . . . . . 4731 1 677 . 1 1 91 91 LEU H H 1 9.07 0.02 . 1 . . . . . . . . 4731 1 678 . 1 1 91 91 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 4731 1 679 . 1 1 91 91 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 4731 1 680 . 1 1 91 91 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 681 . 1 1 91 91 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 682 . 1 1 91 91 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 4731 1 683 . 1 1 91 91 LEU CA C 13 55.65 0.05 . 1 . . . . . . . . 4731 1 684 . 1 1 91 91 LEU CB C 13 39.43 0.05 . 1 . . . . . . . . 4731 1 685 . 1 1 91 91 LEU N N 15 130.85 0.05 . 1 . . . . . . . . 4731 1 686 . 1 1 92 92 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 4731 1 687 . 1 1 92 92 LYS HA H 1 4.52 0.02 . 1 . . . . . . . . 4731 1 688 . 1 1 92 92 LYS HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4731 1 689 . 1 1 92 92 LYS CA C 13 51.51 0.05 . 1 . . . . . . . . 4731 1 690 . 1 1 92 92 LYS N N 15 122.84 0.05 . 1 . . . . . . . . 4731 1 691 . 1 1 93 93 PRO HD2 H 1 3.53 0.02 . 2 . . . . . . . . 4731 1 692 . 1 1 93 93 PRO HD3 H 1 3.63 0.02 . 2 . . . . . . . . 4731 1 693 . 1 1 93 93 PRO C C 13 175.09 0.05 . 1 . . . . . . . . 4731 1 694 . 1 1 93 93 PRO CA C 13 60.59 0.05 . 1 . . . . . . . . 4731 1 695 . 1 1 93 93 PRO CB C 13 29.91 0.05 . 1 . . . . . . . . 4731 1 696 . 1 1 94 94 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 4731 1 697 . 1 1 94 94 GLY HA2 H 1 3.71 0.02 . 2 . . . . . . . . 4731 1 698 . 1 1 94 94 GLY HA3 H 1 2.99 0.02 . 2 . . . . . . . . 4731 1 699 . 1 1 94 94 GLY C C 13 170.79 0.05 . 1 . . . . . . . . 4731 1 700 . 1 1 94 94 GLY CA C 13 44.27 0.05 . 1 . . . . . . . . 4731 1 701 . 1 1 94 94 GLY N N 15 110.62 0.05 . 1 . . . . . . . . 4731 1 702 . 1 1 95 95 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 4731 1 703 . 1 1 95 95 LYS HA H 1 4.49 0.02 . 1 . . . . . . . . 4731 1 704 . 1 1 95 95 LYS HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4731 1 705 . 1 1 95 95 LYS HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4731 1 706 . 1 1 95 95 LYS HG2 H 1 1.21 0.02 . 2 . . . . . . . . 4731 1 707 . 1 1 95 95 LYS C C 13 171.39 0.05 . 1 . . . . . . . . 4731 1 708 . 1 1 95 95 LYS CA C 13 53.27 0.05 . 1 . . . . . . . . 4731 1 709 . 1 1 95 95 LYS CB C 13 32.44 0.05 . 1 . . . . . . . . 4731 1 710 . 1 1 95 95 LYS N N 15 122.03 0.05 . 1 . . . . . . . . 4731 1 711 . 1 1 96 96 VAL H H 1 8.54 0.02 . 1 . . . . . . . . 4731 1 712 . 1 1 96 96 VAL HA H 1 3.98 0.02 . 1 . . . . . . . . 4731 1 713 . 1 1 96 96 VAL HB H 1 1.55 0.02 . 1 . . . . . . . . 4731 1 714 . 1 1 96 96 VAL HG11 H 1 0.65 0.02 . 2 . . . . . . . . 4731 1 715 . 1 1 96 96 VAL HG12 H 1 0.65 0.02 . 2 . . . . . . . . 4731 1 716 . 1 1 96 96 VAL HG13 H 1 0.65 0.02 . 2 . . . . . . . . 4731 1 717 . 1 1 96 96 VAL C C 13 170.92 0.05 . 1 . . . . . . . . 4731 1 718 . 1 1 96 96 VAL CA C 13 60.27 0.05 . 1 . . . . . . . . 4731 1 719 . 1 1 96 96 VAL N N 15 124.04 0.05 . 1 . . . . . . . . 4731 1 720 . 1 1 97 97 ASP H H 1 8.29 0.02 . 1 . . . . . . . . 4731 1 721 . 1 1 97 97 ASP HA H 1 4.98 0.02 . 1 . . . . . . . . 4731 1 722 . 1 1 97 97 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4731 1 723 . 1 1 97 97 ASP HB3 H 1 2.31 0.02 . 2 . . . . . . . . 4731 1 724 . 1 1 97 97 ASP CA C 13 51.21 0.05 . 1 . . . . . . . . 4731 1 725 . 1 1 97 97 ASP CB C 13 40.71 0.05 . 1 . . . . . . . . 4731 1 726 . 1 1 97 97 ASP N N 15 130.05 0.05 . 1 . . . . . . . . 4731 1 727 . 1 1 98 98 VAL H H 1 9.22 0.02 . 1 . . . . . . . . 4731 1 728 . 1 1 98 98 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 4731 1 729 . 1 1 98 98 VAL HB H 1 1.82 0.02 . 1 . . . . . . . . 4731 1 730 . 1 1 98 98 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 4731 1 731 . 1 1 98 98 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 4731 1 732 . 1 1 98 98 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 4731 1 733 . 1 1 98 98 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 4731 1 734 . 1 1 98 98 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 4731 1 735 . 1 1 98 98 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 4731 1 736 . 1 1 98 98 VAL C C 13 172.45 0.05 . 1 . . . . . . . . 4731 1 737 . 1 1 98 98 VAL CA C 13 58.13 0.05 . 1 . . . . . . . . 4731 1 738 . 1 1 98 98 VAL CB C 13 33.48 0.05 . 1 . . . . . . . . 4731 1 739 . 1 1 98 98 VAL N N 15 126.84 0.05 . 1 . . . . . . . . 4731 1 740 . 1 1 99 99 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 4731 1 741 . 1 1 99 99 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 4731 1 742 . 1 1 99 99 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4731 1 743 . 1 1 99 99 LYS HB3 H 1 1.57 0.02 . 2 . . . . . . . . 4731 1 744 . 1 1 99 99 LYS C C 13 175.47 0.05 . 1 . . . . . . . . 4731 1 745 . 1 1 99 99 LYS CA C 13 54.69 0.05 . 1 . . . . . . . . 4731 1 746 . 1 1 99 99 LYS CB C 13 30.61 0.05 . 1 . . . . . . . . 4731 1 747 . 1 1 99 99 LYS N N 15 125.64 0.05 . 1 . . . . . . . . 4731 1 748 . 1 1 100 100 THR H H 1 7.82 0.02 . 1 . . . . . . . . 4731 1 749 . 1 1 100 100 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 4731 1 750 . 1 1 100 100 THR HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4731 1 751 . 1 1 100 100 THR HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4731 1 752 . 1 1 100 100 THR HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4731 1 753 . 1 1 100 100 THR CA C 13 57.73 0.05 . 1 . . . . . . . . 4731 1 754 . 1 1 100 100 THR CB C 13 68.16 0.05 . 1 . . . . . . . . 4731 1 755 . 1 1 100 100 THR N N 15 113.82 0.05 . 1 . . . . . . . . 4731 1 756 . 1 1 101 101 ASP H H 1 8.96 0.02 . 1 . . . . . . . . 4731 1 757 . 1 1 101 101 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 4731 1 758 . 1 1 101 101 ASP CA C 13 49.84 0.05 . 1 . . . . . . . . 4731 1 759 . 1 1 101 101 ASP N N 15 122.75 0.05 . 1 . . . . . . . . 4731 1 760 . 1 1 102 102 LYS C C 13 175.65 0.05 . 1 . . . . . . . . 4731 1 761 . 1 1 102 102 LYS CA C 13 56.30 0.05 . 1 . . . . . . . . 4731 1 762 . 1 1 102 102 LYS CB C 13 29.09 0.05 . 1 . . . . . . . . 4731 1 763 . 1 1 103 103 TRP H H 1 7.59 0.02 . 1 . . . . . . . . 4731 1 764 . 1 1 103 103 TRP HA H 1 4.28 0.02 . 1 . . . . . . . . 4731 1 765 . 1 1 103 103 TRP HB2 H 1 3.23 0.02 . 2 . . . . . . . . 4731 1 766 . 1 1 103 103 TRP HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4731 1 767 . 1 1 103 103 TRP HD1 H 1 7.10 0.02 . 1 . . . . . . . . 4731 1 768 . 1 1 103 103 TRP HE1 H 1 9.98 0.02 . 1 . . . . . . . . 4731 1 769 . 1 1 103 103 TRP HE3 H 1 7.04 0.02 . 1 . . . . . . . . 4731 1 770 . 1 1 103 103 TRP HZ2 H 1 7.32 0.02 . 1 . . . . . . . . 4731 1 771 . 1 1 103 103 TRP HH2 H 1 6.94 0.02 . 1 . . . . . . . . 4731 1 772 . 1 1 103 103 TRP CA C 13 55.40 0.05 . 1 . . . . . . . . 4731 1 773 . 1 1 103 103 TRP CB C 13 25.79 0.05 . 1 . . . . . . . . 4731 1 774 . 1 1 103 103 TRP N N 15 120.24 0.05 . 1 . . . . . . . . 4731 1 775 . 1 1 103 103 TRP NE1 N 15 129.85 0.05 . 1 . . . . . . . . 4731 1 776 . 1 1 104 104 ASP H H 1 7.70 0.02 . 1 . . . . . . . . 4731 1 777 . 1 1 104 104 ASP HA H 1 4.25 0.02 . 1 . . . . . . . . 4731 1 778 . 1 1 104 104 ASP HB2 H 1 2.40 0.02 . 2 . . . . . . . . 4731 1 779 . 1 1 104 104 ASP CA C 13 54.58 0.05 . 1 . . . . . . . . 4731 1 780 . 1 1 104 104 ASP N N 15 119.43 0.05 . 1 . . . . . . . . 4731 1 781 . 1 1 105 105 PHE H H 1 7.47 0.02 . 1 . . . . . . . . 4731 1 782 . 1 1 105 105 PHE HA H 1 4.88 0.02 . 1 . . . . . . . . 4731 1 783 . 1 1 105 105 PHE CA C 13 53.43 0.05 . 1 . . . . . . . . 4731 1 784 . 1 1 105 105 PHE CB C 13 37.53 0.05 . 1 . . . . . . . . 4731 1 785 . 1 1 105 105 PHE N N 15 117.23 0.05 . 1 . . . . . . . . 4731 1 786 . 1 1 106 106 TYR H H 1 7.43 0.02 . 1 . . . . . . . . 4731 1 787 . 1 1 106 106 TYR HA H 1 4.41 0.02 . 1 . . . . . . . . 4731 1 788 . 1 1 106 106 TYR HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4731 1 789 . 1 1 106 106 TYR HB3 H 1 2.94 0.02 . 2 . . . . . . . . 4731 1 790 . 1 1 106 106 TYR HD1 H 1 6.72 0.02 . 3 . . . . . . . . 4731 1 791 . 1 1 106 106 TYR HD2 H 1 6.62 0.02 . 3 . . . . . . . . 4731 1 792 . 1 1 106 106 TYR CA C 13 55.19 0.05 . 1 . . . . . . . . 4731 1 793 . 1 1 106 106 TYR CB C 13 38.13 0.05 . 1 . . . . . . . . 4731 1 794 . 1 1 106 106 TYR N N 15 122.16 0.05 . 1 . . . . . . . . 4731 1 795 . 1 1 107 107 CYS H H 1 8.25 0.02 . 1 . . . . . . . . 4731 1 796 . 1 1 107 107 CYS HA H 1 4.71 0.02 . 1 . . . . . . . . 4731 1 797 . 1 1 107 107 CYS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4731 1 798 . 1 1 107 107 CYS C C 13 169.96 0.05 . 1 . . . . . . . . 4731 1 799 . 1 1 107 107 CYS CA C 13 52.55 0.05 . 1 . . . . . . . . 4731 1 800 . 1 1 107 107 CYS CB C 13 40.06 0.05 . 1 . . . . . . . . 4731 1 801 . 1 1 107 107 CYS N N 15 125.84 0.05 . 1 . . . . . . . . 4731 1 802 . 1 1 108 108 GLN H H 1 8.37 0.02 . 1 . . . . . . . . 4731 1 803 . 1 1 108 108 GLN HA H 1 4.19 0.02 . 1 . . . . . . . . 4731 1 804 . 1 1 108 108 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4731 1 805 . 1 1 108 108 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4731 1 806 . 1 1 108 108 GLN HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4731 1 807 . 1 1 108 108 GLN CA C 13 55.35 0.05 . 1 . . . . . . . . 4731 1 808 . 1 1 108 108 GLN N N 15 129.45 0.05 . 1 . . . . . . . . 4731 1 stop_ save_