data_6279 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6279 _Entry.Title ; 1H, 13C and 15N resonance assignments and secondary structure of the murine angiogenin 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-29 _Entry.Accession_date 2004-08-02 _Entry.Last_release_date 2004-11-08 _Entry.Original_release_date 2004-11-08 _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 Yun-Ru Pan . . . 6279 2 Kuen-Phon Wu . . . 6279 3 Yuan-Chao Lou . . . 6279 4 You-Di Liao . . . 6279 5 Chinpan Chen . . . 6279 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6279 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 726 6279 '13C chemical shifts' 466 6279 '15N chemical shifts' 124 6279 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 . . 2004-11-08 2004-07-29 original author . 6279 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6279 _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 Editor: 1H, 13C and 15N resonance assignments and secondary structure of the murine angiogenin 4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 2 _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 175 _Citation.Page_last 176 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yun-Ru Pan . . . 6279 1 2 Kuen-Phon Wu . . . 6279 1 3 Yuan-Chao Lou . . . 6279 1 4 You-Di Liao . . . 6279 1 5 Chinpan Chen . . . 6279 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_mAng4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_mAng4 _Assembly.Entry_ID 6279 _Assembly.ID 1 _Assembly.Name 'murine angiogenin 4' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.27.5 _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 6279 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 'murine angiogenin 4' 1 $mAng4 . . . native . . . . . 6279 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_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_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 26 26 SG . 1 . 1 CYS 80 80 SG . . . . . . . . . . 6279 1 2 disulfide single . 1 . 1 CYS 39 39 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 6279 1 3 disulfide single . 1 . 1 CYS 57 57 SG . 1 . 1 CYS 106 106 SG . . . . . . . . . . 6279 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PUBMED 12548285 . . . . . ; Murine angiogenin 4 (mAng4) mRNA encodes a 121-residue protein without a predicted amino-terminal signal peptide. ; 6279 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'murine angiogenin 4' system 6279 1 mAng4 abbreviation 6279 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'angiogenesis promoter' 6279 1 ribonuclease 6279 1 'microbicidal protein' 6279 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mAng4 _Entity.Sf_category entity _Entity.Sf_framecode mAng4 _Entity.Entry_ID 6279 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name angiogenin _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 ; MQNERYEKFLRQHYDAKPKG RDDRYCESMMKERKLTSPCK DVNTFIHGTKKNIRAICGKK GSPYGENFRISNSPFQITTC THSRGSPWPPCGYRAFKDFR YIVIACEDGWPVHFDESFIS P ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14178.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . GenBank AAO62354 . 'angiogenin-4 [Mus musculus]' . . . . . 99.17 144 100.00 100.00 1.09e-66 . . . . 6279 1 . . GenBank EDL42283 . 'mCG1042728 [Mus musculus]' . . . . . 99.17 144 100.00 100.00 1.09e-66 . . . . 6279 1 . . GenBank AAI32445 . 'Ang4 protein [Mus musculus]' . . . . . 99.17 144 100.00 100.00 1.09e-66 . . . . 6279 1 . . GenBank AAI32449 . 'Angiogenin, ribonuclease A family, member 4 [Mus musculus]' . . . . . 99.17 144 100.00 100.00 1.09e-66 . . . . 6279 1 . . PDB 2J4T . 'Biological And Structural Features Of Murine Angiogenin-4, An Angiogenic Protein' . . . . . 99.17 144 99.17 100.00 1.99e-66 . . . . 6279 1 . . GenBank AAH42938 . 'Angiogenin, ribonuclease A family, member 4 [Mus musculus]' . . . . . 99.17 144 100.00 100.00 1.09e-66 . . . . 6279 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID angiogenin common 6279 1 mAng4 abbreviation 6279 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 0 MET . 6279 1 2 1 GLN . 6279 1 3 2 ASN . 6279 1 4 3 GLU . 6279 1 5 4 ARG . 6279 1 6 5 TYR . 6279 1 7 6 GLU . 6279 1 8 7 LYS . 6279 1 9 8 PHE . 6279 1 10 9 LEU . 6279 1 11 10 ARG . 6279 1 12 11 GLN . 6279 1 13 12 HIS . 6279 1 14 13 TYR . 6279 1 15 14 ASP . 6279 1 16 15 ALA . 6279 1 17 16 LYS . 6279 1 18 17 PRO . 6279 1 19 18 LYS . 6279 1 20 19 GLY . 6279 1 21 20 ARG . 6279 1 22 21 ASP . 6279 1 23 22 ASP . 6279 1 24 23 ARG . 6279 1 25 24 TYR . 6279 1 26 25 CYS . 6279 1 27 26 GLU . 6279 1 28 27 SER . 6279 1 29 28 MET . 6279 1 30 29 MET . 6279 1 31 30 LYS . 6279 1 32 31 GLU . 6279 1 33 32 ARG . 6279 1 34 33 LYS . 6279 1 35 34 LEU . 6279 1 36 35 THR . 6279 1 37 36 SER . 6279 1 38 37 PRO . 6279 1 39 38 CYS . 6279 1 40 39 LYS . 6279 1 41 40 ASP . 6279 1 42 41 VAL . 6279 1 43 42 ASN . 6279 1 44 43 THR . 6279 1 45 44 PHE . 6279 1 46 45 ILE . 6279 1 47 46 HIS . 6279 1 48 47 GLY . 6279 1 49 48 THR . 6279 1 50 49 LYS . 6279 1 51 50 LYS . 6279 1 52 51 ASN . 6279 1 53 52 ILE . 6279 1 54 53 ARG . 6279 1 55 54 ALA . 6279 1 56 55 ILE . 6279 1 57 56 CYS . 6279 1 58 57 GLY . 6279 1 59 58 LYS . 6279 1 60 59 LYS . 6279 1 61 60 GLY . 6279 1 62 61 SER . 6279 1 63 62 PRO . 6279 1 64 63 TYR . 6279 1 65 64 GLY . 6279 1 66 65 GLU . 6279 1 67 66 ASN . 6279 1 68 67 PHE . 6279 1 69 68 ARG . 6279 1 70 69 ILE . 6279 1 71 70 SER . 6279 1 72 71 ASN . 6279 1 73 72 SER . 6279 1 74 73 PRO . 6279 1 75 74 PHE . 6279 1 76 75 GLN . 6279 1 77 76 ILE . 6279 1 78 77 THR . 6279 1 79 78 THR . 6279 1 80 79 CYS . 6279 1 81 80 THR . 6279 1 82 81 HIS . 6279 1 83 82 SER . 6279 1 84 83 ARG . 6279 1 85 84 GLY . 6279 1 86 85 SER . 6279 1 87 86 PRO . 6279 1 88 87 TRP . 6279 1 89 88 PRO . 6279 1 90 89 PRO . 6279 1 91 90 CYS . 6279 1 92 91 GLY . 6279 1 93 92 TYR . 6279 1 94 93 ARG . 6279 1 95 94 ALA . 6279 1 96 95 PHE . 6279 1 97 96 LYS . 6279 1 98 97 ASP . 6279 1 99 98 PHE . 6279 1 100 99 ARG . 6279 1 101 100 TYR . 6279 1 102 101 ILE . 6279 1 103 102 VAL . 6279 1 104 103 ILE . 6279 1 105 104 ALA . 6279 1 106 105 CYS . 6279 1 107 106 GLU . 6279 1 108 107 ASP . 6279 1 109 108 GLY . 6279 1 110 109 TRP . 6279 1 111 110 PRO . 6279 1 112 111 VAL . 6279 1 113 112 HIS . 6279 1 114 113 PHE . 6279 1 115 114 ASP . 6279 1 116 115 GLU . 6279 1 117 116 SER . 6279 1 118 117 PHE . 6279 1 119 118 ILE . 6279 1 120 119 SER . 6279 1 121 120 PRO . 6279 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 6279 1 . GLN 2 2 6279 1 . ASN 3 3 6279 1 . GLU 4 4 6279 1 . ARG 5 5 6279 1 . TYR 6 6 6279 1 . GLU 7 7 6279 1 . LYS 8 8 6279 1 . PHE 9 9 6279 1 . LEU 10 10 6279 1 . ARG 11 11 6279 1 . GLN 12 12 6279 1 . HIS 13 13 6279 1 . TYR 14 14 6279 1 . ASP 15 15 6279 1 . ALA 16 16 6279 1 . LYS 17 17 6279 1 . PRO 18 18 6279 1 . LYS 19 19 6279 1 . GLY 20 20 6279 1 . ARG 21 21 6279 1 . ASP 22 22 6279 1 . ASP 23 23 6279 1 . ARG 24 24 6279 1 . TYR 25 25 6279 1 . CYS 26 26 6279 1 . GLU 27 27 6279 1 . SER 28 28 6279 1 . MET 29 29 6279 1 . MET 30 30 6279 1 . LYS 31 31 6279 1 . GLU 32 32 6279 1 . ARG 33 33 6279 1 . LYS 34 34 6279 1 . LEU 35 35 6279 1 . THR 36 36 6279 1 . SER 37 37 6279 1 . PRO 38 38 6279 1 . CYS 39 39 6279 1 . LYS 40 40 6279 1 . ASP 41 41 6279 1 . VAL 42 42 6279 1 . ASN 43 43 6279 1 . THR 44 44 6279 1 . PHE 45 45 6279 1 . ILE 46 46 6279 1 . HIS 47 47 6279 1 . GLY 48 48 6279 1 . THR 49 49 6279 1 . LYS 50 50 6279 1 . LYS 51 51 6279 1 . ASN 52 52 6279 1 . ILE 53 53 6279 1 . ARG 54 54 6279 1 . ALA 55 55 6279 1 . ILE 56 56 6279 1 . CYS 57 57 6279 1 . GLY 58 58 6279 1 . LYS 59 59 6279 1 . LYS 60 60 6279 1 . GLY 61 61 6279 1 . SER 62 62 6279 1 . PRO 63 63 6279 1 . TYR 64 64 6279 1 . GLY 65 65 6279 1 . GLU 66 66 6279 1 . ASN 67 67 6279 1 . PHE 68 68 6279 1 . ARG 69 69 6279 1 . ILE 70 70 6279 1 . SER 71 71 6279 1 . ASN 72 72 6279 1 . SER 73 73 6279 1 . PRO 74 74 6279 1 . PHE 75 75 6279 1 . GLN 76 76 6279 1 . ILE 77 77 6279 1 . THR 78 78 6279 1 . THR 79 79 6279 1 . CYS 80 80 6279 1 . THR 81 81 6279 1 . HIS 82 82 6279 1 . SER 83 83 6279 1 . ARG 84 84 6279 1 . GLY 85 85 6279 1 . SER 86 86 6279 1 . PRO 87 87 6279 1 . TRP 88 88 6279 1 . PRO 89 89 6279 1 . PRO 90 90 6279 1 . CYS 91 91 6279 1 . GLY 92 92 6279 1 . TYR 93 93 6279 1 . ARG 94 94 6279 1 . ALA 95 95 6279 1 . PHE 96 96 6279 1 . LYS 97 97 6279 1 . ASP 98 98 6279 1 . PHE 99 99 6279 1 . ARG 100 100 6279 1 . TYR 101 101 6279 1 . ILE 102 102 6279 1 . VAL 103 103 6279 1 . ILE 104 104 6279 1 . ALA 105 105 6279 1 . CYS 106 106 6279 1 . GLU 107 107 6279 1 . ASP 108 108 6279 1 . GLY 109 109 6279 1 . TRP 110 110 6279 1 . PRO 111 111 6279 1 . VAL 112 112 6279 1 . HIS 113 113 6279 1 . PHE 114 114 6279 1 . ASP 115 115 6279 1 . GLU 116 116 6279 1 . SER 117 117 6279 1 . PHE 118 118 6279 1 . ILE 119 119 6279 1 . SER 120 120 6279 1 . PRO 121 121 6279 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 6279 _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 $mAng4 . 10090 . . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus BL21(DE3) . . 'mid-small intestine (jejunum)' . . . . . . . . . 'Paneth cell' . . . . . . . 6279 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 6279 _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 $mAng4 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pET22b . . . . . . 6279 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_sample _Sample.Sf_category sample _Sample.Sf_framecode unlabeled_sample _Sample.Entry_ID 6279 _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 angiogenin . . . 1 $mAng4 . . 1.66 . . mM . . . . 6279 1 stop_ save_ save_labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode labeled_sample _Sample.Entry_ID 6279 _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 angiogenin '[U-95% 13C; U-90% 15N]' . . 1 $mAng4 . . 1.5 . . mM . . . . 6279 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 6279 _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 5.0 0.2 pH 6279 1 temperature 310 1 K 6279 1 'ionic strength' 0.1 0.01 M 6279 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6279 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID process 6279 1 stop_ save_ save_aurelia _Software.Sf_category software _Software.Sf_framecode aurelia _Software.Entry_ID 6279 _Software.ID 2 _Software.Name aurelia _Software.Version 3.1.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6279 2 stop_ save_ save_nmrpipe _Software.Sf_category software _Software.Sf_framecode nmrpipe _Software.Entry_ID 6279 _Software.ID 3 _Software.Name nmrpipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID process 6279 3 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 6279 _Software.ID 4 _Software.Name nmrview _Software.Version 5.22 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6279 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6279 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6279 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6279 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 BRUKER DRX . 600 . . . 6279 1 2 NMR_spectrometer_2 BRUKER AVANCE . 600 . . . 6279 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 6279 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 7 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 8 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 9 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 10 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 11 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 12 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 13 '1H-13C HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 14 '1H-13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 15 '1H-13C TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6279 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '1H-13C HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '1H-13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6279 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1H-13C TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The AVANCE 600 machine was equipped with the cryogenic probe.' 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 6279 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6279 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6279 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6279 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_chemical_shift_mAng4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_mAng4 _Assigned_chem_shift_list.Entry_ID 6279 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 $unlabeled_sample . 6279 1 . . 2 $labeled_sample . 6279 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 2 2 GLN CA C 13 55.98 0.05 . 1 . . . . . . . . 6279 1 2 . 1 1 2 2 GLN CB C 13 29.574 0.05 . 1 . . . . . . . . 6279 1 3 . 1 1 2 2 GLN HB2 H 1 2.232 0.02 . 1 . . . . . . . . 6279 1 4 . 1 1 2 2 GLN HB3 H 1 2.232 0.02 . 1 . . . . . . . . 6279 1 5 . 1 1 2 2 GLN CG C 13 33.772 0.05 . 1 . . . . . . . . 6279 1 6 . 1 1 2 2 GLN HG2 H 1 2.616 0.02 . 2 . . . . . . . . 6279 1 7 . 1 1 2 2 GLN HG3 H 1 2.528 0.02 . 2 . . . . . . . . 6279 1 8 . 1 1 2 2 GLN NE2 N 15 111.534 0.05 . 1 . . . . . . . . 6279 1 9 . 1 1 2 2 GLN HE21 H 1 6.823 0.02 . 2 . . . . . . . . 6279 1 10 . 1 1 2 2 GLN HE22 H 1 6.515 0.02 . 2 . . . . . . . . 6279 1 11 . 1 1 2 2 GLN C C 13 176.958 0.05 . 1 . . . . . . . . 6279 1 12 . 1 1 3 3 ASN N N 15 121.112 0.05 . 1 . . . . . . . . 6279 1 13 . 1 1 3 3 ASN H H 1 8.333 0.02 . 1 . . . . . . . . 6279 1 14 . 1 1 3 3 ASN CA C 13 52.967 0.05 . 1 . . . . . . . . 6279 1 15 . 1 1 3 3 ASN HA H 1 4.551 0.02 . 1 . . . . . . . . 6279 1 16 . 1 1 3 3 ASN CB C 13 38.239 0.05 . 1 . . . . . . . . 6279 1 17 . 1 1 3 3 ASN HB2 H 1 2.412 0.02 . 2 . . . . . . . . 6279 1 18 . 1 1 3 3 ASN HB3 H 1 2.637 0.02 . 2 . . . . . . . . 6279 1 19 . 1 1 3 3 ASN ND2 N 15 107.999 0.05 . 1 . . . . . . . . 6279 1 20 . 1 1 3 3 ASN HD21 H 1 6.276 0.02 . 2 . . . . . . . . 6279 1 21 . 1 1 3 3 ASN HD22 H 1 7.336 0.02 . 2 . . . . . . . . 6279 1 22 . 1 1 3 3 ASN C C 13 175.666 0.05 . 1 . . . . . . . . 6279 1 23 . 1 1 4 4 GLU N N 15 124.377 0.05 . 1 . . . . . . . . 6279 1 24 . 1 1 4 4 GLU H H 1 8.755 0.02 . 1 . . . . . . . . 6279 1 25 . 1 1 4 4 GLU CA C 13 59.874 0.05 . 1 . . . . . . . . 6279 1 26 . 1 1 4 4 GLU HA H 1 4.025 0.02 . 1 . . . . . . . . 6279 1 27 . 1 1 4 4 GLU CB C 13 29.303 0.05 . 1 . . . . . . . . 6279 1 28 . 1 1 4 4 GLU HB2 H 1 2.059 0.02 . 1 . . . . . . . . 6279 1 29 . 1 1 4 4 GLU HB3 H 1 2.059 0.02 . 1 . . . . . . . . 6279 1 30 . 1 1 4 4 GLU CG C 13 35.599 0.05 . 1 . . . . . . . . 6279 1 31 . 1 1 4 4 GLU HG2 H 1 2.316 0.02 . 1 . . . . . . . . 6279 1 32 . 1 1 4 4 GLU HG3 H 1 2.316 0.02 . 1 . . . . . . . . 6279 1 33 . 1 1 4 4 GLU C C 13 179.039 0.05 . 1 . . . . . . . . 6279 1 34 . 1 1 5 5 ARG N N 15 119.034 0.05 . 1 . . . . . . . . 6279 1 35 . 1 1 5 5 ARG H H 1 8.263 0.02 . 1 . . . . . . . . 6279 1 36 . 1 1 5 5 ARG CA C 13 59.373 0.05 . 1 . . . . . . . . 6279 1 37 . 1 1 5 5 ARG HA H 1 4.126 0.02 . 1 . . . . . . . . 6279 1 38 . 1 1 5 5 ARG CB C 13 30.108 0.05 . 1 . . . . . . . . 6279 1 39 . 1 1 5 5 ARG HB2 H 1 1.986 0.02 . 1 . . . . . . . . 6279 1 40 . 1 1 5 5 ARG HB3 H 1 1.986 0.02 . 1 . . . . . . . . 6279 1 41 . 1 1 5 5 ARG CG C 13 27.337 0.05 . 1 . . . . . . . . 6279 1 42 . 1 1 5 5 ARG HG2 H 1 1.768 0.02 . 1 . . . . . . . . 6279 1 43 . 1 1 5 5 ARG HG3 H 1 1.768 0.02 . 1 . . . . . . . . 6279 1 44 . 1 1 5 5 ARG CD C 13 43.536 0.05 . 1 . . . . . . . . 6279 1 45 . 1 1 5 5 ARG HD2 H 1 3.288 0.02 . 1 . . . . . . . . 6279 1 46 . 1 1 5 5 ARG HD3 H 1 3.288 0.02 . 1 . . . . . . . . 6279 1 47 . 1 1 5 5 ARG NE N 15 85.257 0.05 . 1 . . . . . . . . 6279 1 48 . 1 1 5 5 ARG HE H 1 7.491 0.02 . 1 . . . . . . . . 6279 1 49 . 1 1 5 5 ARG C C 13 179.759 0.05 . 1 . . . . . . . . 6279 1 50 . 1 1 6 6 TYR N N 15 123.19 0.05 . 1 . . . . . . . . 6279 1 51 . 1 1 6 6 TYR H H 1 7.898 0.02 . 1 . . . . . . . . 6279 1 52 . 1 1 6 6 TYR CA C 13 58.48 0.05 . 1 . . . . . . . . 6279 1 53 . 1 1 6 6 TYR HA H 1 4.289 0.02 . 1 . . . . . . . . 6279 1 54 . 1 1 6 6 TYR CB C 13 38.058 0.05 . 1 . . . . . . . . 6279 1 55 . 1 1 6 6 TYR HB2 H 1 2.998 0.02 . 2 . . . . . . . . 6279 1 56 . 1 1 6 6 TYR HB3 H 1 2.793 0.02 . 2 . . . . . . . . 6279 1 57 . 1 1 6 6 TYR C C 13 177.287 0.05 . 1 . . . . . . . . 6279 1 58 . 1 1 7 7 GLU N N 15 118.143 0.05 . 1 . . . . . . . . 6279 1 59 . 1 1 7 7 GLU H H 1 8.08 0.02 . 1 . . . . . . . . 6279 1 60 . 1 1 7 7 GLU CA C 13 59.45 0.05 . 1 . . . . . . . . 6279 1 61 . 1 1 7 7 GLU HA H 1 3.717 0.02 . 1 . . . . . . . . 6279 1 62 . 1 1 7 7 GLU CB C 13 28.175 0.05 . 1 . . . . . . . . 6279 1 63 . 1 1 7 7 GLU HB2 H 1 1.979 0.02 . 1 . . . . . . . . 6279 1 64 . 1 1 7 7 GLU HB3 H 1 1.979 0.02 . 1 . . . . . . . . 6279 1 65 . 1 1 7 7 GLU CG C 13 36.038 0.05 . 1 . . . . . . . . 6279 1 66 . 1 1 7 7 GLU HG2 H 1 2.332 0.02 . 1 . . . . . . . . 6279 1 67 . 1 1 7 7 GLU HG3 H 1 2.332 0.02 . 1 . . . . . . . . 6279 1 68 . 1 1 7 7 GLU C C 13 180.164 0.05 . 1 . . . . . . . . 6279 1 69 . 1 1 8 8 LYS N N 15 120.518 0.05 . 1 . . . . . . . . 6279 1 70 . 1 1 8 8 LYS H H 1 8.025 0.02 . 1 . . . . . . . . 6279 1 71 . 1 1 8 8 LYS CA C 13 59.89 0.05 . 1 . . . . . . . . 6279 1 72 . 1 1 8 8 LYS HA H 1 4.234 0.02 . 1 . . . . . . . . 6279 1 73 . 1 1 8 8 LYS CB C 13 32.111 0.05 . 1 . . . . . . . . 6279 1 74 . 1 1 8 8 LYS HB2 H 1 1.983 0.02 . 1 . . . . . . . . 6279 1 75 . 1 1 8 8 LYS HB3 H 1 1.983 0.02 . 1 . . . . . . . . 6279 1 76 . 1 1 8 8 LYS CG C 13 25.569 0.05 . 1 . . . . . . . . 6279 1 77 . 1 1 8 8 LYS HG2 H 1 1.447 0.02 . 1 . . . . . . . . 6279 1 78 . 1 1 8 8 LYS HG3 H 1 1.447 0.02 . 1 . . . . . . . . 6279 1 79 . 1 1 8 8 LYS CD C 13 29.852 0.05 . 1 . . . . . . . . 6279 1 80 . 1 1 8 8 LYS HD2 H 1 1.666 0.02 . 1 . . . . . . . . 6279 1 81 . 1 1 8 8 LYS HD3 H 1 1.666 0.02 . 1 . . . . . . . . 6279 1 82 . 1 1 8 8 LYS CE C 13 44.886 0.05 . 1 . . . . . . . . 6279 1 83 . 1 1 8 8 LYS HE2 H 1 3.029 0.02 . 1 . . . . . . . . 6279 1 84 . 1 1 8 8 LYS HE3 H 1 3.029 0.02 . 1 . . . . . . . . 6279 1 85 . 1 1 8 8 LYS C C 13 177.904 0.05 . 1 . . . . . . . . 6279 1 86 . 1 1 9 9 PHE N N 15 121.854 0.05 . 1 . . . . . . . . 6279 1 87 . 1 1 9 9 PHE H H 1 7.862 0.02 . 1 . . . . . . . . 6279 1 88 . 1 1 9 9 PHE CA C 13 61.358 0.05 . 1 . . . . . . . . 6279 1 89 . 1 1 9 9 PHE HA H 1 4.322 0.02 . 1 . . . . . . . . 6279 1 90 . 1 1 9 9 PHE CB C 13 38.332 0.05 . 1 . . . . . . . . 6279 1 91 . 1 1 9 9 PHE HB2 H 1 3.085 0.02 . 2 . . . . . . . . 6279 1 92 . 1 1 9 9 PHE HB3 H 1 3.808 0.02 . 2 . . . . . . . . 6279 1 93 . 1 1 9 9 PHE C C 13 174.436 0.05 . 1 . . . . . . . . 6279 1 94 . 1 1 10 10 LEU N N 15 118.747 0.05 . 1 . . . . . . . . 6279 1 95 . 1 1 10 10 LEU H H 1 8.423 0.02 . 1 . . . . . . . . 6279 1 96 . 1 1 10 10 LEU CA C 13 56.58 0.05 . 1 . . . . . . . . 6279 1 97 . 1 1 10 10 LEU HA H 1 4.614 0.02 . 1 . . . . . . . . 6279 1 98 . 1 1 10 10 LEU CB C 13 41.474 0.05 . 1 . . . . . . . . 6279 1 99 . 1 1 10 10 LEU HB2 H 1 1.955 0.02 . 1 . . . . . . . . 6279 1 100 . 1 1 10 10 LEU HB3 H 1 1.955 0.02 . 1 . . . . . . . . 6279 1 101 . 1 1 10 10 LEU CG C 13 26.028 0.05 . 1 . . . . . . . . 6279 1 102 . 1 1 10 10 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 6279 1 103 . 1 1 10 10 LEU CD1 C 13 21.066 0.05 . 1 . . . . . . . . 6279 1 104 . 1 1 10 10 LEU HD11 H 1 1.017 0.02 . 2 . . . . . . . . 6279 1 105 . 1 1 10 10 LEU HD12 H 1 1.017 0.02 . 2 . . . . . . . . 6279 1 106 . 1 1 10 10 LEU HD13 H 1 1.017 0.02 . 2 . . . . . . . . 6279 1 107 . 1 1 10 10 LEU CD2 C 13 21.066 0.05 . 1 . . . . . . . . 6279 1 108 . 1 1 10 10 LEU HD21 H 1 0.919 0.02 . 2 . . . . . . . . 6279 1 109 . 1 1 10 10 LEU HD22 H 1 0.919 0.02 . 2 . . . . . . . . 6279 1 110 . 1 1 10 10 LEU HD23 H 1 0.919 0.02 . 2 . . . . . . . . 6279 1 111 . 1 1 10 10 LEU C C 13 180.637 0.05 . 1 . . . . . . . . 6279 1 112 . 1 1 11 11 ARG N N 15 120.221 0.05 . 1 . . . . . . . . 6279 1 113 . 1 1 11 11 ARG H H 1 8.115 0.02 . 1 . . . . . . . . 6279 1 114 . 1 1 11 11 ARG CA C 13 59.337 0.05 . 1 . . . . . . . . 6279 1 115 . 1 1 11 11 ARG HA H 1 4.078 0.02 . 1 . . . . . . . . 6279 1 116 . 1 1 11 11 ARG CB C 13 30.189 0.05 . 1 . . . . . . . . 6279 1 117 . 1 1 11 11 ARG HB2 H 1 2.217 0.02 . 1 . . . . . . . . 6279 1 118 . 1 1 11 11 ARG HB3 H 1 2.217 0.02 . 1 . . . . . . . . 6279 1 119 . 1 1 11 11 ARG CG C 13 28 0.05 . 1 . . . . . . . . 6279 1 120 . 1 1 11 11 ARG HG2 H 1 1.965 0.02 . 1 . . . . . . . . 6279 1 121 . 1 1 11 11 ARG HG3 H 1 1.965 0.02 . 1 . . . . . . . . 6279 1 122 . 1 1 11 11 ARG CD C 13 43.694 0.05 . 1 . . . . . . . . 6279 1 123 . 1 1 11 11 ARG HD2 H 1 3.255 0.02 . 1 . . . . . . . . 6279 1 124 . 1 1 11 11 ARG HD3 H 1 3.255 0.02 . 1 . . . . . . . . 6279 1 125 . 1 1 11 11 ARG NE N 15 84.338 0.05 . 1 . . . . . . . . 6279 1 126 . 1 1 11 11 ARG HE H 1 7.582 0.02 . 1 . . . . . . . . 6279 1 127 . 1 1 11 11 ARG C C 13 178.708 0.05 . 1 . . . . . . . . 6279 1 128 . 1 1 12 12 GLN N N 15 112.354 0.05 . 1 . . . . . . . . 6279 1 129 . 1 1 12 12 GLN H H 1 7.914 0.02 . 1 . . . . . . . . 6279 1 130 . 1 1 12 12 GLN CA C 13 57.89 0.05 . 1 . . . . . . . . 6279 1 131 . 1 1 12 12 GLN HA H 1 3.84 0.02 . 1 . . . . . . . . 6279 1 132 . 1 1 12 12 GLN CB C 13 29.238 0.05 . 1 . . . . . . . . 6279 1 133 . 1 1 12 12 GLN HB2 H 1 1.46 0.02 . 2 . . . . . . . . 6279 1 134 . 1 1 12 12 GLN HB3 H 1 1.3 0.02 . 2 . . . . . . . . 6279 1 135 . 1 1 12 12 GLN CG C 13 35.437 0.05 . 1 . . . . . . . . 6279 1 136 . 1 1 12 12 GLN HG2 H 1 1.833 0.02 . 2 . . . . . . . . 6279 1 137 . 1 1 12 12 GLN HG3 H 1 2.022 0.02 . 2 . . . . . . . . 6279 1 138 . 1 1 12 12 GLN NE2 N 15 112.116 0.05 . 1 . . . . . . . . 6279 1 139 . 1 1 12 12 GLN HE21 H 1 6.965 0.02 . 2 . . . . . . . . 6279 1 140 . 1 1 12 12 GLN HE22 H 1 7.389 0.02 . 2 . . . . . . . . 6279 1 141 . 1 1 12 12 GLN C C 13 175.66 0.05 . 1 . . . . . . . . 6279 1 142 . 1 1 13 13 HIS N N 15 106.12 0.05 . 1 . . . . . . . . 6279 1 143 . 1 1 13 13 HIS H H 1 7.976 0.02 . 1 . . . . . . . . 6279 1 144 . 1 1 13 13 HIS CA C 13 54.733 0.05 . 1 . . . . . . . . 6279 1 145 . 1 1 13 13 HIS HA H 1 4.872 0.02 . 1 . . . . . . . . 6279 1 146 . 1 1 13 13 HIS CB C 13 29.413 0.05 . 1 . . . . . . . . 6279 1 147 . 1 1 13 13 HIS HB2 H 1 1.796 0.02 . 2 . . . . . . . . 6279 1 148 . 1 1 13 13 HIS HB3 H 1 2.647 0.02 . 2 . . . . . . . . 6279 1 149 . 1 1 13 13 HIS C C 13 174.566 0.05 . 1 . . . . . . . . 6279 1 150 . 1 1 14 14 TYR N N 15 121.112 0.05 . 1 . . . . . . . . 6279 1 151 . 1 1 14 14 TYR H H 1 8.399 0.02 . 1 . . . . . . . . 6279 1 152 . 1 1 14 14 TYR CA C 13 57.233 0.05 . 1 . . . . . . . . 6279 1 153 . 1 1 14 14 TYR HA H 1 5.465 0.02 . 1 . . . . . . . . 6279 1 154 . 1 1 14 14 TYR CB C 13 42.06 0.05 . 1 . . . . . . . . 6279 1 155 . 1 1 14 14 TYR HB2 H 1 2.752 0.02 . 2 . . . . . . . . 6279 1 156 . 1 1 14 14 TYR HB3 H 1 3.439 0.02 . 2 . . . . . . . . 6279 1 157 . 1 1 14 14 TYR C C 13 174.585 0.05 . 1 . . . . . . . . 6279 1 158 . 1 1 15 15 ASP N N 15 126.456 0.05 . 1 . . . . . . . . 6279 1 159 . 1 1 15 15 ASP H H 1 7.955 0.02 . 1 . . . . . . . . 6279 1 160 . 1 1 15 15 ASP CA C 13 53.964 0.05 . 1 . . . . . . . . 6279 1 161 . 1 1 15 15 ASP HA H 1 4.373 0.02 . 1 . . . . . . . . 6279 1 162 . 1 1 15 15 ASP CB C 13 41.875 0.05 . 1 . . . . . . . . 6279 1 163 . 1 1 15 15 ASP HB2 H 1 2.626 0.02 . 2 . . . . . . . . 6279 1 164 . 1 1 15 15 ASP HB3 H 1 2.32 0.02 . 2 . . . . . . . . 6279 1 165 . 1 1 15 15 ASP C C 13 174.74 0.05 . 1 . . . . . . . . 6279 1 166 . 1 1 16 16 ALA N N 15 128.237 0.05 . 1 . . . . . . . . 6279 1 167 . 1 1 16 16 ALA H H 1 7.988 0.02 . 1 . . . . . . . . 6279 1 168 . 1 1 16 16 ALA CA C 13 55.625 0.05 . 1 . . . . . . . . 6279 1 169 . 1 1 16 16 ALA HA H 1 4.101 0.02 . 1 . . . . . . . . 6279 1 170 . 1 1 16 16 ALA CB C 13 19.938 0.05 . 1 . . . . . . . . 6279 1 171 . 1 1 16 16 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 6279 1 172 . 1 1 16 16 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 6279 1 173 . 1 1 16 16 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 6279 1 174 . 1 1 16 16 ALA C C 13 178.471 0.05 . 1 . . . . . . . . 6279 1 175 . 1 1 17 17 LYS N N 15 116.362 0.05 . 1 . . . . . . . . 6279 1 176 . 1 1 17 17 LYS H H 1 8.037 0.02 . 1 . . . . . . . . 6279 1 177 . 1 1 17 17 LYS CA C 13 52.773 0.05 . 1 . . . . . . . . 6279 1 178 . 1 1 17 17 LYS HA H 1 4.627 0.02 . 1 . . . . . . . . 6279 1 179 . 1 1 17 17 LYS CB C 13 32.77 0.05 . 1 . . . . . . . . 6279 1 180 . 1 1 17 17 LYS HB2 H 1 1.69 0.02 . 1 . . . . . . . . 6279 1 181 . 1 1 17 17 LYS HB3 H 1 1.69 0.02 . 1 . . . . . . . . 6279 1 182 . 1 1 17 17 LYS CG C 13 21.758 0.05 . 1 . . . . . . . . 6279 1 183 . 1 1 17 17 LYS HG2 H 1 1.244 0.02 . 1 . . . . . . . . 6279 1 184 . 1 1 17 17 LYS HG3 H 1 1.244 0.02 . 1 . . . . . . . . 6279 1 185 . 1 1 17 17 LYS CD C 13 26.255 0.05 . 1 . . . . . . . . 6279 1 186 . 1 1 17 17 LYS HD2 H 1 1.513 0.02 . 1 . . . . . . . . 6279 1 187 . 1 1 17 17 LYS HD3 H 1 1.513 0.02 . 1 . . . . . . . . 6279 1 188 . 1 1 17 17 LYS CE C 13 42.626 0.05 . 1 . . . . . . . . 6279 1 189 . 1 1 17 17 LYS HE2 H 1 3.151 0.02 . 1 . . . . . . . . 6279 1 190 . 1 1 17 17 LYS HE3 H 1 3.151 0.02 . 1 . . . . . . . . 6279 1 191 . 1 1 17 17 LYS HZ1 H 1 7.142 0.02 . 1 . . . . . . . . 6279 1 192 . 1 1 17 17 LYS HZ2 H 1 7.142 0.02 . 1 . . . . . . . . 6279 1 193 . 1 1 17 17 LYS HZ3 H 1 7.142 0.02 . 1 . . . . . . . . 6279 1 194 . 1 1 17 17 LYS C C 13 172.5 0.05 . 1 . . . . . . . . 6279 1 195 . 1 1 18 18 PRO CA C 13 62.745 0.05 . 1 . . . . . . . . 6279 1 196 . 1 1 18 18 PRO HA H 1 4.19 0.02 . 1 . . . . . . . . 6279 1 197 . 1 1 18 18 PRO CB C 13 32.749 0.05 . 1 . . . . . . . . 6279 1 198 . 1 1 18 18 PRO HB2 H 1 1.783 0.02 . 1 . . . . . . . . 6279 1 199 . 1 1 18 18 PRO HB3 H 1 1.783 0.02 . 1 . . . . . . . . 6279 1 200 . 1 1 18 18 PRO CG C 13 25.795 0.05 . 1 . . . . . . . . 6279 1 201 . 1 1 18 18 PRO HG2 H 1 1.472 0.02 . 2 . . . . . . . . 6279 1 202 . 1 1 18 18 PRO HG3 H 1 1.557 0.02 . 2 . . . . . . . . 6279 1 203 . 1 1 18 18 PRO CD C 13 50.004 0.05 . 1 . . . . . . . . 6279 1 204 . 1 1 18 18 PRO HD2 H 1 3.196 0.02 . 2 . . . . . . . . 6279 1 205 . 1 1 18 18 PRO HD3 H 1 3.364 0.02 . 2 . . . . . . . . 6279 1 206 . 1 1 18 18 PRO C C 13 177.533 0.05 . 1 . . . . . . . . 6279 1 207 . 1 1 19 19 LYS N N 15 121.409 0.05 . 1 . . . . . . . . 6279 1 208 . 1 1 19 19 LYS H H 1 7.901 0.02 . 1 . . . . . . . . 6279 1 209 . 1 1 19 19 LYS CA C 13 55.509 0.05 . 1 . . . . . . . . 6279 1 210 . 1 1 19 19 LYS HA H 1 4.226 0.02 . 1 . . . . . . . . 6279 1 211 . 1 1 19 19 LYS CB C 13 32.32 0.05 . 1 . . . . . . . . 6279 1 212 . 1 1 19 19 LYS HB2 H 1 1.748 0.02 . 1 . . . . . . . . 6279 1 213 . 1 1 19 19 LYS HB3 H 1 1.748 0.02 . 1 . . . . . . . . 6279 1 214 . 1 1 19 19 LYS CG C 13 24.837 0.05 . 1 . . . . . . . . 6279 1 215 . 1 1 19 19 LYS HG2 H 1 1.382 0.02 . 2 . . . . . . . . 6279 1 216 . 1 1 19 19 LYS HG3 H 1 1.472 0.02 . 2 . . . . . . . . 6279 1 217 . 1 1 19 19 LYS CD C 13 29.231 0.05 . 1 . . . . . . . . 6279 1 218 . 1 1 19 19 LYS HD2 H 1 1.671 0.02 . 1 . . . . . . . . 6279 1 219 . 1 1 19 19 LYS HD3 H 1 1.671 0.02 . 1 . . . . . . . . 6279 1 220 . 1 1 19 19 LYS CE C 13 41.974 0.05 . 1 . . . . . . . . 6279 1 221 . 1 1 19 19 LYS HE2 H 1 2.94 0.02 . 2 . . . . . . . . 6279 1 222 . 1 1 19 19 LYS HE3 H 1 3.143 0.02 . 2 . . . . . . . . 6279 1 223 . 1 1 19 19 LYS C C 13 176.8 0.05 . 1 . . . . . . . . 6279 1 224 . 1 1 20 20 GLY N N 15 111.018 0.05 . 1 . . . . . . . . 6279 1 225 . 1 1 20 20 GLY H H 1 7.945 0.02 . 1 . . . . . . . . 6279 1 226 . 1 1 20 20 GLY CA C 13 45.614 0.05 . 1 . . . . . . . . 6279 1 227 . 1 1 20 20 GLY HA2 H 1 3.794 0.02 . 1 . . . . . . . . 6279 1 228 . 1 1 20 20 GLY HA3 H 1 3.794 0.02 . 1 . . . . . . . . 6279 1 229 . 1 1 20 20 GLY C C 13 172.94 0.05 . 1 . . . . . . . . 6279 1 230 . 1 1 21 21 ARG N N 15 113.393 0.05 . 1 . . . . . . . . 6279 1 231 . 1 1 21 21 ARG H H 1 7.321 0.02 . 1 . . . . . . . . 6279 1 232 . 1 1 21 21 ARG CA C 13 55.562 0.05 . 1 . . . . . . . . 6279 1 233 . 1 1 21 21 ARG HA H 1 3.36 0.02 . 1 . . . . . . . . 6279 1 234 . 1 1 21 21 ARG CB C 13 28.733 0.05 . 1 . . . . . . . . 6279 1 235 . 1 1 21 21 ARG HB2 H 1 1.822 0.02 . 2 . . . . . . . . 6279 1 236 . 1 1 21 21 ARG HB3 H 1 2.071 0.02 . 2 . . . . . . . . 6279 1 237 . 1 1 21 21 ARG CG C 13 25.817 0.05 . 1 . . . . . . . . 6279 1 238 . 1 1 21 21 ARG HG2 H 1 1.337 0.02 . 1 . . . . . . . . 6279 1 239 . 1 1 21 21 ARG HG3 H 1 1.337 0.02 . 1 . . . . . . . . 6279 1 240 . 1 1 21 21 ARG CD C 13 41.06 0.05 . 1 . . . . . . . . 6279 1 241 . 1 1 21 21 ARG HD2 H 1 3.404 0.02 . 2 . . . . . . . . 6279 1 242 . 1 1 21 21 ARG HD3 H 1 3.505 0.02 . 2 . . . . . . . . 6279 1 243 . 1 1 21 21 ARG NE N 15 83.874 0.05 . 1 . . . . . . . . 6279 1 244 . 1 1 21 21 ARG HE H 1 7.004 0.02 . 1 . . . . . . . . 6279 1 245 . 1 1 21 21 ARG C C 13 172.561 0.05 . 1 . . . . . . . . 6279 1 246 . 1 1 22 22 ASP N N 15 116.51 0.05 . 1 . . . . . . . . 6279 1 247 . 1 1 22 22 ASP H H 1 7.602 0.02 . 1 . . . . . . . . 6279 1 248 . 1 1 22 22 ASP CA C 13 51.512 0.05 . 1 . . . . . . . . 6279 1 249 . 1 1 22 22 ASP HA H 1 4.694 0.02 . 1 . . . . . . . . 6279 1 250 . 1 1 22 22 ASP CB C 13 42.166 0.05 . 1 . . . . . . . . 6279 1 251 . 1 1 22 22 ASP HB2 H 1 2.719 0.02 . 2 . . . . . . . . 6279 1 252 . 1 1 22 22 ASP HB3 H 1 3.207 0.02 . 2 . . . . . . . . 6279 1 253 . 1 1 22 22 ASP C C 13 176.589 0.05 . 1 . . . . . . . . 6279 1 254 . 1 1 23 23 ASP N N 15 121.409 0.05 . 1 . . . . . . . . 6279 1 255 . 1 1 23 23 ASP H H 1 8.119 0.02 . 1 . . . . . . . . 6279 1 256 . 1 1 23 23 ASP CA C 13 58.742 0.05 . 1 . . . . . . . . 6279 1 257 . 1 1 23 23 ASP HA H 1 4.059 0.02 . 1 . . . . . . . . 6279 1 258 . 1 1 23 23 ASP CB C 13 39.181 0.05 . 1 . . . . . . . . 6279 1 259 . 1 1 23 23 ASP HB2 H 1 2.716 0.02 . 2 . . . . . . . . 6279 1 260 . 1 1 23 23 ASP HB3 H 1 3.235 0.02 . 2 . . . . . . . . 6279 1 261 . 1 1 23 23 ASP C C 13 178.173 0.05 . 1 . . . . . . . . 6279 1 262 . 1 1 24 24 ARG N N 15 117.846 0.05 . 1 . . . . . . . . 6279 1 263 . 1 1 24 24 ARG H H 1 7.624 0.02 . 1 . . . . . . . . 6279 1 264 . 1 1 24 24 ARG CA C 13 58.899 0.05 . 1 . . . . . . . . 6279 1 265 . 1 1 24 24 ARG HA H 1 4.011 0.02 . 1 . . . . . . . . 6279 1 266 . 1 1 24 24 ARG CB C 13 29.22 0.05 . 1 . . . . . . . . 6279 1 267 . 1 1 24 24 ARG HB2 H 1 1.915 0.02 . 1 . . . . . . . . 6279 1 268 . 1 1 24 24 ARG HB3 H 1 1.915 0.02 . 1 . . . . . . . . 6279 1 269 . 1 1 24 24 ARG CG C 13 26.767 0.05 . 1 . . . . . . . . 6279 1 270 . 1 1 24 24 ARG HG2 H 1 1.568 0.02 . 1 . . . . . . . . 6279 1 271 . 1 1 24 24 ARG HG3 H 1 1.568 0.02 . 1 . . . . . . . . 6279 1 272 . 1 1 24 24 ARG CD C 13 43.165 0.05 . 1 . . . . . . . . 6279 1 273 . 1 1 24 24 ARG HD2 H 1 3.196 0.02 . 1 . . . . . . . . 6279 1 274 . 1 1 24 24 ARG HD3 H 1 3.196 0.02 . 1 . . . . . . . . 6279 1 275 . 1 1 24 24 ARG NE N 15 84.988 0.05 . 1 . . . . . . . . 6279 1 276 . 1 1 24 24 ARG HE H 1 7.449 0.02 . 1 . . . . . . . . 6279 1 277 . 1 1 25 25 TYR CA C 13 61.289 0.05 . 1 . . . . . . . . 6279 1 278 . 1 1 25 25 TYR HA H 1 3.929 0.02 . 1 . . . . . . . . 6279 1 279 . 1 1 25 25 TYR CB C 13 36.586 0.05 . 1 . . . . . . . . 6279 1 280 . 1 1 25 25 TYR HB2 H 1 3.143 0.02 . 2 . . . . . . . . 6279 1 281 . 1 1 25 25 TYR HB3 H 1 3.25 0.02 . 2 . . . . . . . . 6279 1 282 . 1 1 25 25 TYR C C 13 177.075 0.05 . 1 . . . . . . . . 6279 1 283 . 1 1 26 26 CYS N N 15 116.362 0.05 . 1 . . . . . . . . 6279 1 284 . 1 1 26 26 CYS H H 1 8.03 0.02 . 1 . . . . . . . . 6279 1 285 . 1 1 26 26 CYS CA C 13 60.371 0.05 . 1 . . . . . . . . 6279 1 286 . 1 1 26 26 CYS HA H 1 3.983 0.02 . 1 . . . . . . . . 6279 1 287 . 1 1 26 26 CYS CB C 13 39.032 0.05 . 1 . . . . . . . . 6279 1 288 . 1 1 26 26 CYS HB2 H 1 3.109 0.02 . 2 . . . . . . . . 6279 1 289 . 1 1 26 26 CYS HB3 H 1 3.273 0.02 . 2 . . . . . . . . 6279 1 290 . 1 1 26 26 CYS C C 13 176.382 0.05 . 1 . . . . . . . . 6279 1 291 . 1 1 27 27 GLU N N 15 119.034 0.05 . 1 . . . . . . . . 6279 1 292 . 1 1 27 27 GLU H H 1 8.435 0.02 . 1 . . . . . . . . 6279 1 293 . 1 1 27 27 GLU CA C 13 60.049 0.05 . 1 . . . . . . . . 6279 1 294 . 1 1 27 27 GLU HA H 1 4.623 0.02 . 1 . . . . . . . . 6279 1 295 . 1 1 27 27 GLU CB C 13 29.11 0.05 . 1 . . . . . . . . 6279 1 296 . 1 1 27 27 GLU HB2 H 1 2.214 0.02 . 1 . . . . . . . . 6279 1 297 . 1 1 27 27 GLU HB3 H 1 2.214 0.02 . 1 . . . . . . . . 6279 1 298 . 1 1 27 27 GLU CG C 13 36.735 0.05 . 1 . . . . . . . . 6279 1 299 . 1 1 27 27 GLU HG2 H 1 2.723 0.02 . 2 . . . . . . . . 6279 1 300 . 1 1 27 27 GLU HG3 H 1 2.881 0.02 . 2 . . . . . . . . 6279 1 301 . 1 1 27 27 GLU C C 13 179.418 0.05 . 1 . . . . . . . . 6279 1 302 . 1 1 28 28 SER N N 15 113.393 0.05 . 1 . . . . . . . . 6279 1 303 . 1 1 28 28 SER H H 1 8.035 0.02 . 1 . . . . . . . . 6279 1 304 . 1 1 28 28 SER CA C 13 61.229 0.05 . 1 . . . . . . . . 6279 1 305 . 1 1 28 28 SER HA H 1 4.155 0.02 . 1 . . . . . . . . 6279 1 306 . 1 1 28 28 SER CB C 13 62.681 0.05 . 1 . . . . . . . . 6279 1 307 . 1 1 28 28 SER HB2 H 1 3.866 0.02 . 1 . . . . . . . . 6279 1 308 . 1 1 28 28 SER HB3 H 1 3.866 0.02 . 1 . . . . . . . . 6279 1 309 . 1 1 28 28 SER C C 13 177.222 0.05 . 1 . . . . . . . . 6279 1 310 . 1 1 29 29 MET N N 15 121.706 0.05 . 1 . . . . . . . . 6279 1 311 . 1 1 29 29 MET H H 1 8.574 0.02 . 1 . . . . . . . . 6279 1 312 . 1 1 29 29 MET CA C 13 55.562 0.05 . 1 . . . . . . . . 6279 1 313 . 1 1 29 29 MET HA H 1 4.15 0.02 . 1 . . . . . . . . 6279 1 314 . 1 1 29 29 MET CB C 13 30.129 0.05 . 1 . . . . . . . . 6279 1 315 . 1 1 29 29 MET HB2 H 1 0.863 0.02 . 2 . . . . . . . . 6279 1 316 . 1 1 29 29 MET HB3 H 1 1.133 0.02 . 2 . . . . . . . . 6279 1 317 . 1 1 29 29 MET CG C 13 31.438 0.05 . 1 . . . . . . . . 6279 1 318 . 1 1 29 29 MET HG2 H 1 1.991 0.02 . 1 . . . . . . . . 6279 1 319 . 1 1 29 29 MET HG3 H 1 1.991 0.02 . 1 . . . . . . . . 6279 1 320 . 1 1 29 29 MET CE C 13 17.167 0.05 . 1 . . . . . . . . 6279 1 321 . 1 1 29 29 MET HE1 H 1 1.525 0.02 . 1 . . . . . . . . 6279 1 322 . 1 1 29 29 MET HE2 H 1 1.525 0.02 . 1 . . . . . . . . 6279 1 323 . 1 1 29 29 MET HE3 H 1 1.525 0.02 . 1 . . . . . . . . 6279 1 324 . 1 1 29 29 MET C C 13 179.011 0.05 . 1 . . . . . . . . 6279 1 325 . 1 1 30 30 MET N N 15 116.065 0.05 . 1 . . . . . . . . 6279 1 326 . 1 1 30 30 MET H H 1 8.293 0.02 . 1 . . . . . . . . 6279 1 327 . 1 1 30 30 MET CA C 13 56.569 0.05 . 1 . . . . . . . . 6279 1 328 . 1 1 30 30 MET HA H 1 4.212 0.02 . 1 . . . . . . . . 6279 1 329 . 1 1 30 30 MET CB C 13 29.003 0.05 . 1 . . . . . . . . 6279 1 330 . 1 1 30 30 MET HB2 H 1 1.392 0.02 . 2 . . . . . . . . 6279 1 331 . 1 1 30 30 MET HB3 H 1 1.104 0.02 . 2 . . . . . . . . 6279 1 332 . 1 1 30 30 MET CG C 13 30.722 0.05 . 1 . . . . . . . . 6279 1 333 . 1 1 30 30 MET HG2 H 1 2.51 0.02 . 1 . . . . . . . . 6279 1 334 . 1 1 30 30 MET HG3 H 1 2.51 0.02 . 1 . . . . . . . . 6279 1 335 . 1 1 30 30 MET CE C 13 17.624 0.05 . 1 . . . . . . . . 6279 1 336 . 1 1 30 30 MET HE1 H 1 1.505 0.02 . 1 . . . . . . . . 6279 1 337 . 1 1 30 30 MET HE2 H 1 1.505 0.02 . 1 . . . . . . . . 6279 1 338 . 1 1 30 30 MET HE3 H 1 1.505 0.02 . 1 . . . . . . . . 6279 1 339 . 1 1 30 30 MET C C 13 178.62 0.05 . 1 . . . . . . . . 6279 1 340 . 1 1 31 31 LYS N N 15 117.252 0.05 . 1 . . . . . . . . 6279 1 341 . 1 1 31 31 LYS H H 1 6.903 0.02 . 1 . . . . . . . . 6279 1 342 . 1 1 31 31 LYS CA C 13 59.057 0.05 . 1 . . . . . . . . 6279 1 343 . 1 1 31 31 LYS HA H 1 4.155 0.02 . 1 . . . . . . . . 6279 1 344 . 1 1 31 31 LYS CB C 13 32.337 0.05 . 1 . . . . . . . . 6279 1 345 . 1 1 31 31 LYS HB2 H 1 1.939 0.02 . 1 . . . . . . . . 6279 1 346 . 1 1 31 31 LYS HB3 H 1 1.939 0.02 . 1 . . . . . . . . 6279 1 347 . 1 1 31 31 LYS CG C 13 25.101 0.05 . 1 . . . . . . . . 6279 1 348 . 1 1 31 31 LYS HG2 H 1 1.403 0.02 . 1 . . . . . . . . 6279 1 349 . 1 1 31 31 LYS HG3 H 1 1.403 0.02 . 1 . . . . . . . . 6279 1 350 . 1 1 31 31 LYS CD C 13 29.739 0.05 . 1 . . . . . . . . 6279 1 351 . 1 1 31 31 LYS HD2 H 1 1.708 0.02 . 1 . . . . . . . . 6279 1 352 . 1 1 31 31 LYS HD3 H 1 1.708 0.02 . 1 . . . . . . . . 6279 1 353 . 1 1 31 31 LYS CE C 13 42.805 0.05 . 1 . . . . . . . . 6279 1 354 . 1 1 31 31 LYS HE2 H 1 3.296 0.02 . 1 . . . . . . . . 6279 1 355 . 1 1 31 31 LYS HE3 H 1 3.296 0.02 . 1 . . . . . . . . 6279 1 356 . 1 1 31 31 LYS C C 13 180.689 0.05 . 1 . . . . . . . . 6279 1 357 . 1 1 32 32 GLU N N 15 122.893 0.05 . 1 . . . . . . . . 6279 1 358 . 1 1 32 32 GLU H H 1 8.513 0.02 . 1 . . . . . . . . 6279 1 359 . 1 1 32 32 GLU CA C 13 59.54 0.05 . 1 . . . . . . . . 6279 1 360 . 1 1 32 32 GLU HA H 1 3.977 0.02 . 1 . . . . . . . . 6279 1 361 . 1 1 32 32 GLU CB C 13 29.641 0.05 . 1 . . . . . . . . 6279 1 362 . 1 1 32 32 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 6279 1 363 . 1 1 32 32 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 6279 1 364 . 1 1 32 32 GLU CG C 13 36.735 0.05 . 1 . . . . . . . . 6279 1 365 . 1 1 32 32 GLU HG2 H 1 2.347 0.02 . 2 . . . . . . . . 6279 1 366 . 1 1 32 32 GLU HG3 H 1 2.318 0.02 . 2 . . . . . . . . 6279 1 367 . 1 1 32 32 GLU C C 13 178.626 0.05 . 1 . . . . . . . . 6279 1 368 . 1 1 33 33 ARG N N 15 113.393 0.05 . 1 . . . . . . . . 6279 1 369 . 1 1 33 33 ARG H H 1 8.084 0.02 . 1 . . . . . . . . 6279 1 370 . 1 1 33 33 ARG CA C 13 52.89 0.05 . 1 . . . . . . . . 6279 1 371 . 1 1 33 33 ARG HA H 1 4.269 0.02 . 1 . . . . . . . . 6279 1 372 . 1 1 33 33 ARG CB C 13 27.428 0.05 . 1 . . . . . . . . 6279 1 373 . 1 1 33 33 ARG HB2 H 1 1.968 0.02 . 1 . . . . . . . . 6279 1 374 . 1 1 33 33 ARG HB3 H 1 1.968 0.02 . 1 . . . . . . . . 6279 1 375 . 1 1 33 33 ARG CG C 13 26.757 0.05 . 1 . . . . . . . . 6279 1 376 . 1 1 33 33 ARG HG2 H 1 1.737 0.02 . 2 . . . . . . . . 6279 1 377 . 1 1 33 33 ARG HG3 H 1 1.546 0.02 . 2 . . . . . . . . 6279 1 378 . 1 1 33 33 ARG CD C 13 41.781 0.05 . 1 . . . . . . . . 6279 1 379 . 1 1 33 33 ARG HD2 H 1 3.033 0.02 . 1 . . . . . . . . 6279 1 380 . 1 1 33 33 ARG HD3 H 1 3.033 0.02 . 1 . . . . . . . . 6279 1 381 . 1 1 33 33 ARG C C 13 174.19 0.05 . 1 . . . . . . . . 6279 1 382 . 1 1 34 34 LYS N N 15 113.393 0.05 . 1 . . . . . . . . 6279 1 383 . 1 1 34 34 LYS H H 1 7.679 0.02 . 1 . . . . . . . . 6279 1 384 . 1 1 34 34 LYS CA C 13 56.623 0.05 . 1 . . . . . . . . 6279 1 385 . 1 1 34 34 LYS HA H 1 4.115 0.02 . 1 . . . . . . . . 6279 1 386 . 1 1 34 34 LYS CB C 13 27.539 0.05 . 1 . . . . . . . . 6279 1 387 . 1 1 34 34 LYS HB2 H 1 2.143 0.02 . 1 . . . . . . . . 6279 1 388 . 1 1 34 34 LYS HB3 H 1 2.143 0.02 . 1 . . . . . . . . 6279 1 389 . 1 1 34 34 LYS CG C 13 25.052 0.05 . 1 . . . . . . . . 6279 1 390 . 1 1 34 34 LYS HG2 H 1 1.426 0.02 . 2 . . . . . . . . 6279 1 391 . 1 1 34 34 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 6279 1 392 . 1 1 34 34 LYS CD C 13 29.075 0.05 . 1 . . . . . . . . 6279 1 393 . 1 1 34 34 LYS HD2 H 1 1.891 0.02 . 1 . . . . . . . . 6279 1 394 . 1 1 34 34 LYS HD3 H 1 1.891 0.02 . 1 . . . . . . . . 6279 1 395 . 1 1 34 34 LYS CE C 13 41.399 0.05 . 1 . . . . . . . . 6279 1 396 . 1 1 34 34 LYS HE2 H 1 2.516 0.02 . 1 . . . . . . . . 6279 1 397 . 1 1 34 34 LYS HE3 H 1 2.516 0.02 . 1 . . . . . . . . 6279 1 398 . 1 1 34 34 LYS C C 13 177.217 0.05 . 1 . . . . . . . . 6279 1 399 . 1 1 35 35 LEU N N 15 119.034 0.05 . 1 . . . . . . . . 6279 1 400 . 1 1 35 35 LEU H H 1 8.308 0.02 . 1 . . . . . . . . 6279 1 401 . 1 1 35 35 LEU CA C 13 53.47 0.05 . 1 . . . . . . . . 6279 1 402 . 1 1 35 35 LEU HA H 1 4.773 0.02 . 1 . . . . . . . . 6279 1 403 . 1 1 35 35 LEU CB C 13 41.256 0.05 . 1 . . . . . . . . 6279 1 404 . 1 1 35 35 LEU HB2 H 1 1.658 0.02 . 1 . . . . . . . . 6279 1 405 . 1 1 35 35 LEU HB3 H 1 1.658 0.02 . 1 . . . . . . . . 6279 1 406 . 1 1 35 35 LEU CG C 13 26.396 0.05 . 1 . . . . . . . . 6279 1 407 . 1 1 35 35 LEU HG H 1 1.409 0.02 . 1 . . . . . . . . 6279 1 408 . 1 1 35 35 LEU CD1 C 13 23.685 0.05 . 1 . . . . . . . . 6279 1 409 . 1 1 35 35 LEU HD11 H 1 0.957 0.02 . 1 . . . . . . . . 6279 1 410 . 1 1 35 35 LEU HD12 H 1 0.957 0.02 . 1 . . . . . . . . 6279 1 411 . 1 1 35 35 LEU HD13 H 1 0.957 0.02 . 1 . . . . . . . . 6279 1 412 . 1 1 35 35 LEU CD2 C 13 23.685 0.05 . 1 . . . . . . . . 6279 1 413 . 1 1 35 35 LEU HD21 H 1 0.957 0.02 . 1 . . . . . . . . 6279 1 414 . 1 1 35 35 LEU HD22 H 1 0.957 0.02 . 1 . . . . . . . . 6279 1 415 . 1 1 35 35 LEU HD23 H 1 0.957 0.02 . 1 . . . . . . . . 6279 1 416 . 1 1 35 35 LEU C C 13 175.633 0.05 . 1 . . . . . . . . 6279 1 417 . 1 1 36 36 THR N N 15 102.409 0.05 . 1 . . . . . . . . 6279 1 418 . 1 1 36 36 THR H H 1 7.18 0.02 . 1 . . . . . . . . 6279 1 419 . 1 1 36 36 THR CA C 13 60.62 0.05 . 1 . . . . . . . . 6279 1 420 . 1 1 36 36 THR HA H 1 4.578 0.02 . 1 . . . . . . . . 6279 1 421 . 1 1 36 36 THR CB C 13 69.472 0.05 . 1 . . . . . . . . 6279 1 422 . 1 1 36 36 THR HB H 1 4.162 0.02 . 1 . . . . . . . . 6279 1 423 . 1 1 36 36 THR CG2 C 13 22.39 0.05 . 1 . . . . . . . . 6279 1 424 . 1 1 36 36 THR HG21 H 1 1.093 0.02 . 1 . . . . . . . . 6279 1 425 . 1 1 36 36 THR HG22 H 1 1.093 0.02 . 1 . . . . . . . . 6279 1 426 . 1 1 36 36 THR HG23 H 1 1.093 0.02 . 1 . . . . . . . . 6279 1 427 . 1 1 36 36 THR C C 13 173.129 0.05 . 1 . . . . . . . . 6279 1 428 . 1 1 37 37 SER N N 15 114.581 0.05 . 1 . . . . . . . . 6279 1 429 . 1 1 37 37 SER H H 1 7.474 0.02 . 1 . . . . . . . . 6279 1 430 . 1 1 37 37 SER CA C 13 54 0.05 . 1 . . . . . . . . 6279 1 431 . 1 1 37 37 SER HA H 1 4.896 0.02 . 1 . . . . . . . . 6279 1 432 . 1 1 37 37 SER CB C 13 63.607 0.05 . 1 . . . . . . . . 6279 1 433 . 1 1 37 37 SER HB2 H 1 3.669 0.02 . 2 . . . . . . . . 6279 1 434 . 1 1 37 37 SER HB3 H 1 3.898 0.02 . 2 . . . . . . . . 6279 1 435 . 1 1 37 37 SER C C 13 177.14 0.05 . 1 . . . . . . . . 6279 1 436 . 1 1 38 38 PRO CA C 13 63.199 0.05 . 1 . . . . . . . . 6279 1 437 . 1 1 38 38 PRO HA H 1 4.357 0.02 . 1 . . . . . . . . 6279 1 438 . 1 1 38 38 PRO CB C 13 33.539 0.05 . 1 . . . . . . . . 6279 1 439 . 1 1 38 38 PRO HB2 H 1 2.114 0.02 . 2 . . . . . . . . 6279 1 440 . 1 1 38 38 PRO HB3 H 1 2.305 0.02 . 2 . . . . . . . . 6279 1 441 . 1 1 38 38 PRO CG C 13 24.117 0.05 . 1 . . . . . . . . 6279 1 442 . 1 1 38 38 PRO HG2 H 1 1.799 0.02 . 2 . . . . . . . . 6279 1 443 . 1 1 38 38 PRO HG3 H 1 1.9 0.02 . 2 . . . . . . . . 6279 1 444 . 1 1 38 38 PRO CD C 13 50.017 0.05 . 1 . . . . . . . . 6279 1 445 . 1 1 38 38 PRO HD2 H 1 3.642 0.02 . 2 . . . . . . . . 6279 1 446 . 1 1 38 38 PRO HD3 H 1 3.682 0.02 . 2 . . . . . . . . 6279 1 447 . 1 1 38 38 PRO C C 13 175.534 0.05 . 1 . . . . . . . . 6279 1 448 . 1 1 39 39 CYS N N 15 114.284 0.05 . 1 . . . . . . . . 6279 1 449 . 1 1 39 39 CYS H H 1 7.881 0.02 . 1 . . . . . . . . 6279 1 450 . 1 1 39 39 CYS CA C 13 55.517 0.05 . 1 . . . . . . . . 6279 1 451 . 1 1 39 39 CYS HA H 1 4.063 0.02 . 1 . . . . . . . . 6279 1 452 . 1 1 39 39 CYS CB C 13 37.404 0.05 . 1 . . . . . . . . 6279 1 453 . 1 1 39 39 CYS HB2 H 1 3.031 0.02 . 1 . . . . . . . . 6279 1 454 . 1 1 39 39 CYS HB3 H 1 3.031 0.02 . 1 . . . . . . . . 6279 1 455 . 1 1 39 39 CYS C C 13 174.978 0.05 . 1 . . . . . . . . 6279 1 456 . 1 1 40 40 LYS N N 15 128.831 0.05 . 1 . . . . . . . . 6279 1 457 . 1 1 40 40 LYS H H 1 7.873 0.02 . 1 . . . . . . . . 6279 1 458 . 1 1 40 40 LYS CA C 13 56.669 0.05 . 1 . . . . . . . . 6279 1 459 . 1 1 40 40 LYS HA H 1 4.125 0.02 . 1 . . . . . . . . 6279 1 460 . 1 1 40 40 LYS CB C 13 32.846 0.05 . 1 . . . . . . . . 6279 1 461 . 1 1 40 40 LYS HB2 H 1 1.797 0.02 . 1 . . . . . . . . 6279 1 462 . 1 1 40 40 LYS HB3 H 1 1.797 0.02 . 1 . . . . . . . . 6279 1 463 . 1 1 40 40 LYS CG C 13 25.976 0.05 . 1 . . . . . . . . 6279 1 464 . 1 1 40 40 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 6279 1 465 . 1 1 40 40 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 6279 1 466 . 1 1 40 40 LYS CD C 13 31.175 0.05 . 1 . . . . . . . . 6279 1 467 . 1 1 40 40 LYS HD2 H 1 1.672 0.02 . 1 . . . . . . . . 6279 1 468 . 1 1 40 40 LYS HD3 H 1 1.672 0.02 . 1 . . . . . . . . 6279 1 469 . 1 1 40 40 LYS CE C 13 42.344 0.05 . 1 . . . . . . . . 6279 1 470 . 1 1 40 40 LYS HE2 H 1 2.987 0.02 . 1 . . . . . . . . 6279 1 471 . 1 1 40 40 LYS HE3 H 1 2.987 0.02 . 1 . . . . . . . . 6279 1 472 . 1 1 40 40 LYS C C 13 178.672 0.05 . 1 . . . . . . . . 6279 1 473 . 1 1 41 41 ASP N N 15 126.752 0.05 . 1 . . . . . . . . 6279 1 474 . 1 1 41 41 ASP H H 1 8.656 0.02 . 1 . . . . . . . . 6279 1 475 . 1 1 41 41 ASP CA C 13 58.234 0.05 . 1 . . . . . . . . 6279 1 476 . 1 1 41 41 ASP HA H 1 4.459 0.02 . 1 . . . . . . . . 6279 1 477 . 1 1 41 41 ASP CB C 13 40.232 0.05 . 1 . . . . . . . . 6279 1 478 . 1 1 41 41 ASP HB2 H 1 2.837 0.02 . 2 . . . . . . . . 6279 1 479 . 1 1 41 41 ASP HB3 H 1 2.894 0.02 . 2 . . . . . . . . 6279 1 480 . 1 1 41 41 ASP C C 13 175.975 0.05 . 1 . . . . . . . . 6279 1 481 . 1 1 42 42 VAL N N 15 116.659 0.05 . 1 . . . . . . . . 6279 1 482 . 1 1 42 42 VAL H H 1 7.689 0.02 . 1 . . . . . . . . 6279 1 483 . 1 1 42 42 VAL CA C 13 60.51 0.05 . 1 . . . . . . . . 6279 1 484 . 1 1 42 42 VAL HA H 1 5.011 0.02 . 1 . . . . . . . . 6279 1 485 . 1 1 42 42 VAL CB C 13 34.497 0.05 . 1 . . . . . . . . 6279 1 486 . 1 1 42 42 VAL HB H 1 1.984 0.02 . 1 . . . . . . . . 6279 1 487 . 1 1 42 42 VAL CG2 C 13 22.052 0.05 . 2 . . . . . . . . 6279 1 488 . 1 1 42 42 VAL HG11 H 1 0.905 0.02 . 2 . . . . . . . . 6279 1 489 . 1 1 42 42 VAL HG12 H 1 0.905 0.02 . 2 . . . . . . . . 6279 1 490 . 1 1 42 42 VAL HG13 H 1 0.905 0.02 . 2 . . . . . . . . 6279 1 491 . 1 1 42 42 VAL CG1 C 13 20.327 0.05 . 2 . . . . . . . . 6279 1 492 . 1 1 42 42 VAL HG21 H 1 0.852 0.02 . 2 . . . . . . . . 6279 1 493 . 1 1 42 42 VAL HG22 H 1 0.852 0.02 . 2 . . . . . . . . 6279 1 494 . 1 1 42 42 VAL HG23 H 1 0.852 0.02 . 2 . . . . . . . . 6279 1 495 . 1 1 42 42 VAL C C 13 174.314 0.05 . 1 . . . . . . . . 6279 1 496 . 1 1 43 43 ASN N N 15 122.893 0.05 . 1 . . . . . . . . 6279 1 497 . 1 1 43 43 ASN H H 1 8.555 0.02 . 1 . . . . . . . . 6279 1 498 . 1 1 43 43 ASN CA C 13 54.081 0.05 . 1 . . . . . . . . 6279 1 499 . 1 1 43 43 ASN HA H 1 4.865 0.02 . 1 . . . . . . . . 6279 1 500 . 1 1 43 43 ASN CB C 13 44.674 0.05 . 1 . . . . . . . . 6279 1 501 . 1 1 43 43 ASN HB2 H 1 2.32 0.02 . 1 . . . . . . . . 6279 1 502 . 1 1 43 43 ASN HB3 H 1 2.32 0.02 . 1 . . . . . . . . 6279 1 503 . 1 1 43 43 ASN ND2 N 15 111.566 0.05 . 1 . . . . . . . . 6279 1 504 . 1 1 43 43 ASN HD21 H 1 6.829 0.02 . 2 . . . . . . . . 6279 1 505 . 1 1 43 43 ASN HD22 H 1 7.389 0.02 . 2 . . . . . . . . 6279 1 506 . 1 1 43 43 ASN C C 13 174.533 0.05 . 1 . . . . . . . . 6279 1 507 . 1 1 44 44 THR N N 15 128.985 0.05 . 1 . . . . . . . . 6279 1 508 . 1 1 44 44 THR H H 1 10.358 0.02 . 1 . . . . . . . . 6279 1 509 . 1 1 44 44 THR CA C 13 62.831 0.05 . 1 . . . . . . . . 6279 1 510 . 1 1 44 44 THR HA H 1 4.727 0.02 . 1 . . . . . . . . 6279 1 511 . 1 1 44 44 THR CB C 13 67.522 0.05 . 1 . . . . . . . . 6279 1 512 . 1 1 44 44 THR HB H 1 4.245 0.02 . 1 . . . . . . . . 6279 1 513 . 1 1 44 44 THR CG2 C 13 23.331 0.05 . 1 . . . . . . . . 6279 1 514 . 1 1 44 44 THR HG21 H 1 1.258 0.02 . 1 . . . . . . . . 6279 1 515 . 1 1 44 44 THR HG22 H 1 1.258 0.02 . 1 . . . . . . . . 6279 1 516 . 1 1 44 44 THR HG23 H 1 1.258 0.02 . 1 . . . . . . . . 6279 1 517 . 1 1 44 44 THR C C 13 173.586 0.05 . 1 . . . . . . . . 6279 1 518 . 1 1 45 45 PHE N N 15 125.862 0.05 . 1 . . . . . . . . 6279 1 519 . 1 1 45 45 PHE H H 1 9.16 0.02 . 1 . . . . . . . . 6279 1 520 . 1 1 45 45 PHE CA C 13 57.57 0.05 . 1 . . . . . . . . 6279 1 521 . 1 1 45 45 PHE HA H 1 4.274 0.02 . 1 . . . . . . . . 6279 1 522 . 1 1 45 45 PHE CB C 13 41.701 0.05 . 1 . . . . . . . . 6279 1 523 . 1 1 45 45 PHE HB2 H 1 2.94 0.02 . 1 . . . . . . . . 6279 1 524 . 1 1 45 45 PHE HB3 H 1 2.94 0.02 . 1 . . . . . . . . 6279 1 525 . 1 1 45 45 PHE C C 13 172.655 0.05 . 1 . . . . . . . . 6279 1 526 . 1 1 46 46 ILE N N 15 122.002 0.05 . 1 . . . . . . . . 6279 1 527 . 1 1 46 46 ILE H H 1 8.79 0.02 . 1 . . . . . . . . 6279 1 528 . 1 1 46 46 ILE CA C 13 60.277 0.05 . 1 . . . . . . . . 6279 1 529 . 1 1 46 46 ILE HA H 1 4.005 0.02 . 1 . . . . . . . . 6279 1 530 . 1 1 46 46 ILE CB C 13 40.305 0.05 . 1 . . . . . . . . 6279 1 531 . 1 1 46 46 ILE HB H 1 1.699 0.02 . 1 . . . . . . . . 6279 1 532 . 1 1 46 46 ILE CG1 C 13 27.116 0.05 . 2 . . . . . . . . 6279 1 533 . 1 1 46 46 ILE HG12 H 1 1.256 0.02 . 1 . . . . . . . . 6279 1 534 . 1 1 46 46 ILE HG13 H 1 1.462 0.02 . 1 . . . . . . . . 6279 1 535 . 1 1 46 46 ILE CD1 C 13 15.561 0.05 . 1 . . . . . . . . 6279 1 536 . 1 1 46 46 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 6279 1 537 . 1 1 46 46 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 6279 1 538 . 1 1 46 46 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 6279 1 539 . 1 1 46 46 ILE CG2 C 13 19.704 0.05 . 2 . . . . . . . . 6279 1 540 . 1 1 46 46 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 6279 1 541 . 1 1 46 46 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 6279 1 542 . 1 1 46 46 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 6279 1 543 . 1 1 46 46 ILE C C 13 174.716 0.05 . 1 . . . . . . . . 6279 1 544 . 1 1 47 47 HIS N N 15 125.268 0.05 . 1 . . . . . . . . 6279 1 545 . 1 1 47 47 HIS H H 1 8.276 0.02 . 1 . . . . . . . . 6279 1 546 . 1 1 47 47 HIS CA C 13 51.924 0.05 . 1 . . . . . . . . 6279 1 547 . 1 1 47 47 HIS HA H 1 5.581 0.02 . 1 . . . . . . . . 6279 1 548 . 1 1 47 47 HIS CB C 13 28.421 0.05 . 1 . . . . . . . . 6279 1 549 . 1 1 47 47 HIS HB2 H 1 3.058 0.02 . 2 . . . . . . . . 6279 1 550 . 1 1 47 47 HIS HB3 H 1 3.136 0.02 . 2 . . . . . . . . 6279 1 551 . 1 1 47 47 HIS C C 13 175.396 0.05 . 1 . . . . . . . . 6279 1 552 . 1 1 48 48 GLY N N 15 108.346 0.05 . 1 . . . . . . . . 6279 1 553 . 1 1 48 48 GLY H H 1 8.029 0.02 . 1 . . . . . . . . 6279 1 554 . 1 1 48 48 GLY CA C 13 44.135 0.05 . 1 . . . . . . . . 6279 1 555 . 1 1 48 48 GLY HA2 H 1 4.617 0.02 . 2 . . . . . . . . 6279 1 556 . 1 1 48 48 GLY HA3 H 1 4.304 0.02 . 2 . . . . . . . . 6279 1 557 . 1 1 48 48 GLY C C 13 173.524 0.05 . 1 . . . . . . . . 6279 1 558 . 1 1 49 49 THR N N 15 112.503 0.05 . 1 . . . . . . . . 6279 1 559 . 1 1 49 49 THR H H 1 8.589 0.02 . 1 . . . . . . . . 6279 1 560 . 1 1 49 49 THR CA C 13 60.701 0.05 . 1 . . . . . . . . 6279 1 561 . 1 1 49 49 THR HA H 1 4.807 0.02 . 1 . . . . . . . . 6279 1 562 . 1 1 49 49 THR CB C 13 70.163 0.05 . 1 . . . . . . . . 6279 1 563 . 1 1 49 49 THR HB H 1 3.964 0.02 . 1 . . . . . . . . 6279 1 564 . 1 1 49 49 THR CG2 C 13 22.413 0.05 . 1 . . . . . . . . 6279 1 565 . 1 1 49 49 THR HG21 H 1 1.166 0.02 . 1 . . . . . . . . 6279 1 566 . 1 1 49 49 THR HG22 H 1 1.166 0.02 . 1 . . . . . . . . 6279 1 567 . 1 1 49 49 THR HG23 H 1 1.166 0.02 . 1 . . . . . . . . 6279 1 568 . 1 1 49 49 THR C C 13 176.121 0.05 . 1 . . . . . . . . 6279 1 569 . 1 1 50 50 LYS N N 15 124.081 0.05 . 1 . . . . . . . . 6279 1 570 . 1 1 50 50 LYS H H 1 8.847 0.02 . 1 . . . . . . . . 6279 1 571 . 1 1 50 50 LYS CA C 13 60.551 0.05 . 1 . . . . . . . . 6279 1 572 . 1 1 50 50 LYS HA H 1 4.587 0.02 . 1 . . . . . . . . 6279 1 573 . 1 1 50 50 LYS CB C 13 31.463 0.05 . 1 . . . . . . . . 6279 1 574 . 1 1 50 50 LYS HB2 H 1 1.924 0.02 . 2 . . . . . . . . 6279 1 575 . 1 1 50 50 LYS HB3 H 1 1.933 0.02 . 2 . . . . . . . . 6279 1 576 . 1 1 50 50 LYS CG C 13 25.435 0.05 . 1 . . . . . . . . 6279 1 577 . 1 1 50 50 LYS HG2 H 1 1.392 0.02 . 2 . . . . . . . . 6279 1 578 . 1 1 50 50 LYS HG3 H 1 1.506 0.02 . 2 . . . . . . . . 6279 1 579 . 1 1 50 50 LYS CD C 13 29.774 0.05 . 1 . . . . . . . . 6279 1 580 . 1 1 50 50 LYS HD2 H 1 1.716 0.02 . 1 . . . . . . . . 6279 1 581 . 1 1 50 50 LYS HD3 H 1 1.716 0.02 . 1 . . . . . . . . 6279 1 582 . 1 1 50 50 LYS CE C 13 39.461 0.05 . 1 . . . . . . . . 6279 1 583 . 1 1 50 50 LYS HE2 H 1 3.032 0.02 . 1 . . . . . . . . 6279 1 584 . 1 1 50 50 LYS HE3 H 1 3.032 0.02 . 1 . . . . . . . . 6279 1 585 . 1 1 50 50 LYS C C 13 179.902 0.05 . 1 . . . . . . . . 6279 1 586 . 1 1 51 51 LYS N N 15 119.034 0.05 . 1 . . . . . . . . 6279 1 587 . 1 1 51 51 LYS H H 1 8.442 0.02 . 1 . . . . . . . . 6279 1 588 . 1 1 51 51 LYS CA C 13 60.367 0.05 . 1 . . . . . . . . 6279 1 589 . 1 1 51 51 LYS HA H 1 3.893 0.02 . 1 . . . . . . . . 6279 1 590 . 1 1 51 51 LYS CB C 13 31.856 0.05 . 1 . . . . . . . . 6279 1 591 . 1 1 51 51 LYS HB2 H 1 1.884 0.02 . 1 . . . . . . . . 6279 1 592 . 1 1 51 51 LYS HB3 H 1 1.884 0.02 . 1 . . . . . . . . 6279 1 593 . 1 1 51 51 LYS CG C 13 24.99 0.05 . 1 . . . . . . . . 6279 1 594 . 1 1 51 51 LYS HG2 H 1 1.454 0.02 . 1 . . . . . . . . 6279 1 595 . 1 1 51 51 LYS HG3 H 1 1.454 0.02 . 1 . . . . . . . . 6279 1 596 . 1 1 51 51 LYS CD C 13 29.574 0.05 . 1 . . . . . . . . 6279 1 597 . 1 1 51 51 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 6279 1 598 . 1 1 51 51 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 6279 1 599 . 1 1 51 51 LYS CE C 13 42.162 0.05 . 1 . . . . . . . . 6279 1 600 . 1 1 51 51 LYS HE2 H 1 2.881 0.02 . 1 . . . . . . . . 6279 1 601 . 1 1 51 51 LYS HE3 H 1 2.881 0.02 . 1 . . . . . . . . 6279 1 602 . 1 1 51 51 LYS C C 13 178.877 0.05 . 1 . . . . . . . . 6279 1 603 . 1 1 52 52 ASN N N 15 117.549 0.05 . 1 . . . . . . . . 6279 1 604 . 1 1 52 52 ASN H H 1 7.558 0.02 . 1 . . . . . . . . 6279 1 605 . 1 1 52 52 ASN CA C 13 55.016 0.05 . 1 . . . . . . . . 6279 1 606 . 1 1 52 52 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 6279 1 607 . 1 1 52 52 ASN CB C 13 36.922 0.05 . 1 . . . . . . . . 6279 1 608 . 1 1 52 52 ASN HB2 H 1 3.101 0.02 . 2 . . . . . . . . 6279 1 609 . 1 1 52 52 ASN HB3 H 1 3.085 0.02 . 2 . . . . . . . . 6279 1 610 . 1 1 52 52 ASN C C 13 177.622 0.05 . 1 . . . . . . . . 6279 1 611 . 1 1 53 53 ILE N N 15 119.924 0.05 . 1 . . . . . . . . 6279 1 612 . 1 1 53 53 ILE H H 1 7.726 0.02 . 1 . . . . . . . . 6279 1 613 . 1 1 53 53 ILE CA C 13 64.446 0.05 . 1 . . . . . . . . 6279 1 614 . 1 1 53 53 ILE HA H 1 3.744 0.02 . 1 . . . . . . . . 6279 1 615 . 1 1 53 53 ILE CB C 13 37.975 0.05 . 1 . . . . . . . . 6279 1 616 . 1 1 53 53 ILE HB H 1 1.873 0.02 . 1 . . . . . . . . 6279 1 617 . 1 1 53 53 ILE CG1 C 13 29.744 0.05 . 2 . . . . . . . . 6279 1 618 . 1 1 53 53 ILE HG12 H 1 1.686 0.02 . 1 . . . . . . . . 6279 1 619 . 1 1 53 53 ILE HG13 H 1 1.495 0.02 . 1 . . . . . . . . 6279 1 620 . 1 1 53 53 ILE CD1 C 13 15.501 0.05 . 1 . . . . . . . . 6279 1 621 . 1 1 53 53 ILE HD11 H 1 0.739 0.02 . 1 . . . . . . . . 6279 1 622 . 1 1 53 53 ILE HD12 H 1 0.739 0.02 . 1 . . . . . . . . 6279 1 623 . 1 1 53 53 ILE HD13 H 1 0.739 0.02 . 1 . . . . . . . . 6279 1 624 . 1 1 53 53 ILE CG2 C 13 17.802 0.05 . 2 . . . . . . . . 6279 1 625 . 1 1 53 53 ILE HG21 H 1 0.595 0.02 . 1 . . . . . . . . 6279 1 626 . 1 1 53 53 ILE HG22 H 1 0.595 0.02 . 1 . . . . . . . . 6279 1 627 . 1 1 53 53 ILE HG23 H 1 0.595 0.02 . 1 . . . . . . . . 6279 1 628 . 1 1 53 53 ILE C C 13 177.904 0.05 . 1 . . . . . . . . 6279 1 629 . 1 1 54 54 ARG N N 15 117.549 0.05 . 1 . . . . . . . . 6279 1 630 . 1 1 54 54 ARG H H 1 7.967 0.02 . 1 . . . . . . . . 6279 1 631 . 1 1 54 54 ARG CA C 13 59.289 0.05 . 1 . . . . . . . . 6279 1 632 . 1 1 54 54 ARG HA H 1 3.526 0.02 . 1 . . . . . . . . 6279 1 633 . 1 1 54 54 ARG CB C 13 28.859 0.05 . 1 . . . . . . . . 6279 1 634 . 1 1 54 54 ARG HB2 H 1 1.702 0.02 . 1 . . . . . . . . 6279 1 635 . 1 1 54 54 ARG HB3 H 1 1.702 0.02 . 1 . . . . . . . . 6279 1 636 . 1 1 54 54 ARG CG C 13 29.562 0.05 . 1 . . . . . . . . 6279 1 637 . 1 1 54 54 ARG HG2 H 1 1.551 0.02 . 1 . . . . . . . . 6279 1 638 . 1 1 54 54 ARG HG3 H 1 1.551 0.02 . 1 . . . . . . . . 6279 1 639 . 1 1 54 54 ARG CD C 13 43.73 0.05 . 1 . . . . . . . . 6279 1 640 . 1 1 54 54 ARG HD2 H 1 3.199 0.02 . 2 . . . . . . . . 6279 1 641 . 1 1 54 54 ARG HD3 H 1 3.263 0.02 . 2 . . . . . . . . 6279 1 642 . 1 1 54 54 ARG C C 13 178.619 0.05 . 1 . . . . . . . . 6279 1 643 . 1 1 55 55 ALA N N 15 118.143 0.05 . 1 . . . . . . . . 6279 1 644 . 1 1 55 55 ALA H H 1 7.549 0.02 . 1 . . . . . . . . 6279 1 645 . 1 1 55 55 ALA CA C 13 53.832 0.05 . 1 . . . . . . . . 6279 1 646 . 1 1 55 55 ALA HA H 1 4.109 0.02 . 1 . . . . . . . . 6279 1 647 . 1 1 55 55 ALA CB C 13 17.834 0.05 . 1 . . . . . . . . 6279 1 648 . 1 1 55 55 ALA HB1 H 1 1.501 0.02 . 1 . . . . . . . . 6279 1 649 . 1 1 55 55 ALA HB2 H 1 1.501 0.02 . 1 . . . . . . . . 6279 1 650 . 1 1 55 55 ALA HB3 H 1 1.501 0.02 . 1 . . . . . . . . 6279 1 651 . 1 1 55 55 ALA C C 13 179.723 0.05 . 1 . . . . . . . . 6279 1 652 . 1 1 56 56 ILE N N 15 122.299 0.05 . 1 . . . . . . . . 6279 1 653 . 1 1 56 56 ILE H H 1 7.603 0.02 . 1 . . . . . . . . 6279 1 654 . 1 1 56 56 ILE CA C 13 64.234 0.05 . 1 . . . . . . . . 6279 1 655 . 1 1 56 56 ILE HA H 1 3.228 0.02 . 1 . . . . . . . . 6279 1 656 . 1 1 56 56 ILE CB C 13 37.438 0.05 . 1 . . . . . . . . 6279 1 657 . 1 1 56 56 ILE HB H 1 1.802 0.02 . 1 . . . . . . . . 6279 1 658 . 1 1 56 56 ILE CG1 C 13 28.517 0.05 . 2 . . . . . . . . 6279 1 659 . 1 1 56 56 ILE HG12 H 1 1.499 0.02 . 1 . . . . . . . . 6279 1 660 . 1 1 56 56 ILE HG13 H 1 1.675 0.02 . 1 . . . . . . . . 6279 1 661 . 1 1 56 56 ILE CD1 C 13 15.483 0.05 . 1 . . . . . . . . 6279 1 662 . 1 1 56 56 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 6279 1 663 . 1 1 56 56 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 6279 1 664 . 1 1 56 56 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 6279 1 665 . 1 1 56 56 ILE CG2 C 13 17.669 0.05 . 2 . . . . . . . . 6279 1 666 . 1 1 56 56 ILE HG21 H 1 0.568 0.02 . 1 . . . . . . . . 6279 1 667 . 1 1 56 56 ILE HG22 H 1 0.568 0.02 . 1 . . . . . . . . 6279 1 668 . 1 1 56 56 ILE HG23 H 1 0.568 0.02 . 1 . . . . . . . . 6279 1 669 . 1 1 56 56 ILE C C 13 177.356 0.05 . 1 . . . . . . . . 6279 1 670 . 1 1 57 57 CYS N N 15 113.987 0.05 . 1 . . . . . . . . 6279 1 671 . 1 1 57 57 CYS H H 1 7.417 0.02 . 1 . . . . . . . . 6279 1 672 . 1 1 57 57 CYS CA C 13 53.522 0.05 . 1 . . . . . . . . 6279 1 673 . 1 1 57 57 CYS HA H 1 4.194 0.02 . 1 . . . . . . . . 6279 1 674 . 1 1 57 57 CYS CB C 13 37.974 0.05 . 1 . . . . . . . . 6279 1 675 . 1 1 57 57 CYS HB2 H 1 2.78 0.02 . 2 . . . . . . . . 6279 1 676 . 1 1 57 57 CYS HB3 H 1 2.775 0.02 . 2 . . . . . . . . 6279 1 677 . 1 1 57 57 CYS C C 13 174.29 0.05 . 1 . . . . . . . . 6279 1 678 . 1 1 58 58 GLY N N 15 110.128 0.05 . 1 . . . . . . . . 6279 1 679 . 1 1 58 58 GLY H H 1 7.323 0.02 . 1 . . . . . . . . 6279 1 680 . 1 1 58 58 GLY CA C 13 44.635 0.05 . 1 . . . . . . . . 6279 1 681 . 1 1 58 58 GLY HA2 H 1 4.293 0.02 . 2 . . . . . . . . 6279 1 682 . 1 1 58 58 GLY HA3 H 1 3.509 0.02 . 2 . . . . . . . . 6279 1 683 . 1 1 58 58 GLY C C 13 174.827 0.05 . 1 . . . . . . . . 6279 1 684 . 1 1 59 59 LYS N N 15 124.336 0.05 . 1 . . . . . . . . 6279 1 685 . 1 1 59 59 LYS H H 1 8.659 0.02 . 1 . . . . . . . . 6279 1 686 . 1 1 59 59 LYS CA C 13 58.106 0.05 . 1 . . . . . . . . 6279 1 687 . 1 1 59 59 LYS HA H 1 5.358 0.02 . 1 . . . . . . . . 6279 1 688 . 1 1 59 59 LYS CB C 13 32.396 0.05 . 1 . . . . . . . . 6279 1 689 . 1 1 59 59 LYS HB2 H 1 1.955 0.02 . 1 . . . . . . . . 6279 1 690 . 1 1 59 59 LYS HB3 H 1 1.955 0.02 . 1 . . . . . . . . 6279 1 691 . 1 1 59 59 LYS CG C 13 25.248 0.05 . 1 . . . . . . . . 6279 1 692 . 1 1 59 59 LYS HG2 H 1 1.514 0.02 . 2 . . . . . . . . 6279 1 693 . 1 1 59 59 LYS HG3 H 1 1.403 0.02 . 2 . . . . . . . . 6279 1 694 . 1 1 59 59 LYS CD C 13 29.079 0.05 . 1 . . . . . . . . 6279 1 695 . 1 1 59 59 LYS HD2 H 1 1.725 0.02 . 2 . . . . . . . . 6279 1 696 . 1 1 59 59 LYS HD3 H 1 1.948 0.02 . 2 . . . . . . . . 6279 1 697 . 1 1 59 59 LYS CE C 13 42.149 0.05 . 1 . . . . . . . . 6279 1 698 . 1 1 59 59 LYS HE2 H 1 3.298 0.02 . 2 . . . . . . . . 6279 1 699 . 1 1 59 59 LYS HE3 H 1 3.268 0.02 . 2 . . . . . . . . 6279 1 700 . 1 1 59 59 LYS C C 13 177.172 0.05 . 1 . . . . . . . . 6279 1 701 . 1 1 60 60 LYS N N 15 115.174 0.05 . 1 . . . . . . . . 6279 1 702 . 1 1 60 60 LYS H H 1 7.608 0.02 . 1 . . . . . . . . 6279 1 703 . 1 1 60 60 LYS CA C 13 54.592 0.05 . 1 . . . . . . . . 6279 1 704 . 1 1 60 60 LYS HA H 1 4.722 0.02 . 1 . . . . . . . . 6279 1 705 . 1 1 60 60 LYS CB C 13 30.376 0.05 . 1 . . . . . . . . 6279 1 706 . 1 1 60 60 LYS HB2 H 1 2.141 0.02 . 1 . . . . . . . . 6279 1 707 . 1 1 60 60 LYS HB3 H 1 2.141 0.02 . 1 . . . . . . . . 6279 1 708 . 1 1 60 60 LYS CG C 13 25.41 0.05 . 1 . . . . . . . . 6279 1 709 . 1 1 60 60 LYS HG2 H 1 1.271 0.02 . 2 . . . . . . . . 6279 1 710 . 1 1 60 60 LYS HG3 H 1 1.468 0.02 . 2 . . . . . . . . 6279 1 711 . 1 1 60 60 LYS CD C 13 28.624 0.05 . 1 . . . . . . . . 6279 1 712 . 1 1 60 60 LYS HD2 H 1 1.671 0.02 . 2 . . . . . . . . 6279 1 713 . 1 1 60 60 LYS HD3 H 1 1.931 0.02 . 2 . . . . . . . . 6279 1 714 . 1 1 60 60 LYS CE C 13 42.344 0.05 . 1 . . . . . . . . 6279 1 715 . 1 1 60 60 LYS HE2 H 1 3.253 0.02 . 1 . . . . . . . . 6279 1 716 . 1 1 60 60 LYS HE3 H 1 3.253 0.02 . 1 . . . . . . . . 6279 1 717 . 1 1 60 60 LYS C C 13 175.144 0.05 . 1 . . . . . . . . 6279 1 718 . 1 1 61 61 GLY N N 15 109.534 0.05 . 1 . . . . . . . . 6279 1 719 . 1 1 61 61 GLY H H 1 7.51 0.02 . 1 . . . . . . . . 6279 1 720 . 1 1 61 61 GLY CA C 13 44.31 0.05 . 1 . . . . . . . . 6279 1 721 . 1 1 61 61 GLY HA2 H 1 4.203 0.02 . 2 . . . . . . . . 6279 1 722 . 1 1 61 61 GLY HA3 H 1 4.93 0.02 . 2 . . . . . . . . 6279 1 723 . 1 1 61 61 GLY C C 13 172.321 0.05 . 1 . . . . . . . . 6279 1 724 . 1 1 62 62 SER N N 15 112.799 0.05 . 1 . . . . . . . . 6279 1 725 . 1 1 62 62 SER H H 1 8.698 0.02 . 1 . . . . . . . . 6279 1 726 . 1 1 62 62 SER CA C 13 56.133 0.05 . 1 . . . . . . . . 6279 1 727 . 1 1 62 62 SER HA H 1 5.081 0.02 . 1 . . . . . . . . 6279 1 728 . 1 1 62 62 SER CB C 13 64.667 0.05 . 1 . . . . . . . . 6279 1 729 . 1 1 62 62 SER HB2 H 1 3.908 0.02 . 2 . . . . . . . . 6279 1 730 . 1 1 62 62 SER HB3 H 1 3.567 0.02 . 2 . . . . . . . . 6279 1 731 . 1 1 62 62 SER C C 13 170.935 0.05 . 1 . . . . . . . . 6279 1 732 . 1 1 63 63 PRO CA C 13 64.292 0.05 . 1 . . . . . . . . 6279 1 733 . 1 1 63 63 PRO HA H 1 4.481 0.02 . 1 . . . . . . . . 6279 1 734 . 1 1 63 63 PRO CB C 13 31.903 0.05 . 1 . . . . . . . . 6279 1 735 . 1 1 63 63 PRO HB2 H 1 1.863 0.02 . 2 . . . . . . . . 6279 1 736 . 1 1 63 63 PRO HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6279 1 737 . 1 1 63 63 PRO CG C 13 28.162 0.05 . 1 . . . . . . . . 6279 1 738 . 1 1 63 63 PRO HG2 H 1 2.189 0.02 . 2 . . . . . . . . 6279 1 739 . 1 1 63 63 PRO HG3 H 1 1.949 0.02 . 2 . . . . . . . . 6279 1 740 . 1 1 63 63 PRO CD C 13 51.171 0.05 . 1 . . . . . . . . 6279 1 741 . 1 1 63 63 PRO HD2 H 1 3.821 0.02 . 2 . . . . . . . . 6279 1 742 . 1 1 63 63 PRO HD3 H 1 3.775 0.02 . 2 . . . . . . . . 6279 1 743 . 1 1 63 63 PRO C C 13 175.452 0.05 . 1 . . . . . . . . 6279 1 744 . 1 1 64 64 TYR N N 15 126.159 0.05 . 1 . . . . . . . . 6279 1 745 . 1 1 64 64 TYR H H 1 8.144 0.02 . 1 . . . . . . . . 6279 1 746 . 1 1 64 64 TYR CA C 13 57.509 0.05 . 1 . . . . . . . . 6279 1 747 . 1 1 64 64 TYR HA H 1 4.482 0.02 . 1 . . . . . . . . 6279 1 748 . 1 1 64 64 TYR CB C 13 40.867 0.05 . 1 . . . . . . . . 6279 1 749 . 1 1 64 64 TYR HB2 H 1 2.573 0.02 . 2 . . . . . . . . 6279 1 750 . 1 1 64 64 TYR HB3 H 1 2.435 0.02 . 2 . . . . . . . . 6279 1 751 . 1 1 64 64 TYR C C 13 174.475 0.05 . 1 . . . . . . . . 6279 1 752 . 1 1 65 65 GLY N N 15 112.503 0.05 . 1 . . . . . . . . 6279 1 753 . 1 1 65 65 GLY H H 1 7.809 0.02 . 1 . . . . . . . . 6279 1 754 . 1 1 65 65 GLY CA C 13 44.777 0.05 . 1 . . . . . . . . 6279 1 755 . 1 1 65 65 GLY HA2 H 1 3.487 0.02 . 2 . . . . . . . . 6279 1 756 . 1 1 65 65 GLY HA3 H 1 3.814 0.02 . 2 . . . . . . . . 6279 1 757 . 1 1 65 65 GLY C C 13 174.113 0.05 . 1 . . . . . . . . 6279 1 758 . 1 1 66 66 GLU N N 15 121.112 0.05 . 1 . . . . . . . . 6279 1 759 . 1 1 66 66 GLU H H 1 8.424 0.02 . 1 . . . . . . . . 6279 1 760 . 1 1 66 66 GLU CA C 13 57.538 0.05 . 1 . . . . . . . . 6279 1 761 . 1 1 66 66 GLU HA H 1 4.097 0.02 . 1 . . . . . . . . 6279 1 762 . 1 1 66 66 GLU CB C 13 28.847 0.05 . 1 . . . . . . . . 6279 1 763 . 1 1 66 66 GLU HB2 H 1 1.916 0.02 . 1 . . . . . . . . 6279 1 764 . 1 1 66 66 GLU HB3 H 1 1.916 0.02 . 1 . . . . . . . . 6279 1 765 . 1 1 66 66 GLU CG C 13 36.07 0.05 . 1 . . . . . . . . 6279 1 766 . 1 1 66 66 GLU HG2 H 1 2.187 0.02 . 1 . . . . . . . . 6279 1 767 . 1 1 66 66 GLU HG3 H 1 2.187 0.02 . 1 . . . . . . . . 6279 1 768 . 1 1 66 66 GLU C C 13 177.253 0.05 . 1 . . . . . . . . 6279 1 769 . 1 1 67 67 ASN N N 15 114.284 0.05 . 1 . . . . . . . . 6279 1 770 . 1 1 67 67 ASN H H 1 8.111 0.02 . 1 . . . . . . . . 6279 1 771 . 1 1 67 67 ASN CA C 13 53.446 0.05 . 1 . . . . . . . . 6279 1 772 . 1 1 67 67 ASN HA H 1 4.76 0.02 . 1 . . . . . . . . 6279 1 773 . 1 1 67 67 ASN CB C 13 38.596 0.05 . 1 . . . . . . . . 6279 1 774 . 1 1 67 67 ASN HB2 H 1 2.514 0.02 . 2 . . . . . . . . 6279 1 775 . 1 1 67 67 ASN HB3 H 1 2.695 0.02 . 2 . . . . . . . . 6279 1 776 . 1 1 67 67 ASN ND2 N 15 111.512 0.05 . 1 . . . . . . . . 6279 1 777 . 1 1 67 67 ASN HD21 H 1 6.659 0.02 . 2 . . . . . . . . 6279 1 778 . 1 1 67 67 ASN HD22 H 1 6.464 0.02 . 2 . . . . . . . . 6279 1 779 . 1 1 67 67 ASN C C 13 175.111 0.05 . 1 . . . . . . . . 6279 1 780 . 1 1 68 68 PHE N N 15 117.846 0.05 . 1 . . . . . . . . 6279 1 781 . 1 1 68 68 PHE H H 1 7.73 0.02 . 1 . . . . . . . . 6279 1 782 . 1 1 68 68 PHE CA C 13 55.94 0.05 . 1 . . . . . . . . 6279 1 783 . 1 1 68 68 PHE HA H 1 5.286 0.02 . 1 . . . . . . . . 6279 1 784 . 1 1 68 68 PHE CB C 13 41.448 0.05 . 1 . . . . . . . . 6279 1 785 . 1 1 68 68 PHE HB2 H 1 3.24 0.02 . 2 . . . . . . . . 6279 1 786 . 1 1 68 68 PHE HB3 H 1 3.341 0.02 . 2 . . . . . . . . 6279 1 787 . 1 1 68 68 PHE C C 13 175.919 0.05 . 1 . . . . . . . . 6279 1 788 . 1 1 69 69 ARG N N 15 121.409 0.05 . 1 . . . . . . . . 6279 1 789 . 1 1 69 69 ARG H H 1 9.42 0.02 . 1 . . . . . . . . 6279 1 790 . 1 1 69 69 ARG CA C 13 53.889 0.05 . 1 . . . . . . . . 6279 1 791 . 1 1 69 69 ARG HA H 1 5.036 0.02 . 1 . . . . . . . . 6279 1 792 . 1 1 69 69 ARG CB C 13 33.791 0.05 . 1 . . . . . . . . 6279 1 793 . 1 1 69 69 ARG HB2 H 1 1.566 0.02 . 1 . . . . . . . . 6279 1 794 . 1 1 69 69 ARG HB3 H 1 1.566 0.02 . 1 . . . . . . . . 6279 1 795 . 1 1 69 69 ARG CG C 13 27.227 0.05 . 1 . . . . . . . . 6279 1 796 . 1 1 69 69 ARG HG2 H 1 1.308 0.02 . 1 . . . . . . . . 6279 1 797 . 1 1 69 69 ARG HG3 H 1 1.308 0.02 . 1 . . . . . . . . 6279 1 798 . 1 1 69 69 ARG CD C 13 43.317 0.05 . 1 . . . . . . . . 6279 1 799 . 1 1 69 69 ARG HD2 H 1 3.168 0.02 . 2 . . . . . . . . 6279 1 800 . 1 1 69 69 ARG HD3 H 1 3.287 0.02 . 2 . . . . . . . . 6279 1 801 . 1 1 69 69 ARG NE N 15 85.027 0.05 . 1 . . . . . . . . 6279 1 802 . 1 1 69 69 ARG HE H 1 7.618 0.02 . 1 . . . . . . . . 6279 1 803 . 1 1 69 69 ARG C C 13 173.372 0.05 . 1 . . . . . . . . 6279 1 804 . 1 1 70 70 ILE N N 15 120.518 0.05 . 1 . . . . . . . . 6279 1 805 . 1 1 70 70 ILE H H 1 9.046 0.02 . 1 . . . . . . . . 6279 1 806 . 1 1 70 70 ILE CA C 13 56.713 0.05 . 1 . . . . . . . . 6279 1 807 . 1 1 70 70 ILE HA H 1 5.141 0.02 . 1 . . . . . . . . 6279 1 808 . 1 1 70 70 ILE CB C 13 40.769 0.05 . 1 . . . . . . . . 6279 1 809 . 1 1 70 70 ILE HB H 1 1.703 0.02 . 1 . . . . . . . . 6279 1 810 . 1 1 70 70 ILE CG1 C 13 28.115 0.05 . 2 . . . . . . . . 6279 1 811 . 1 1 70 70 ILE HG12 H 1 1.443 0.02 . 1 . . . . . . . . 6279 1 812 . 1 1 70 70 ILE HG13 H 1 1.443 0.02 . 1 . . . . . . . . 6279 1 813 . 1 1 70 70 ILE CD1 C 13 14.556 0.05 . 1 . . . . . . . . 6279 1 814 . 1 1 70 70 ILE HD11 H 1 0.739 0.02 . 1 . . . . . . . . 6279 1 815 . 1 1 70 70 ILE HD12 H 1 0.739 0.02 . 1 . . . . . . . . 6279 1 816 . 1 1 70 70 ILE HD13 H 1 0.739 0.02 . 1 . . . . . . . . 6279 1 817 . 1 1 70 70 ILE CG2 C 13 16.949 0.05 . 1 . . . . . . . . 6279 1 818 . 1 1 70 70 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 6279 1 819 . 1 1 70 70 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 6279 1 820 . 1 1 70 70 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 6279 1 821 . 1 1 70 70 ILE C C 13 174.66 0.05 . 1 . . . . . . . . 6279 1 822 . 1 1 71 71 SER N N 15 121.706 0.05 . 1 . . . . . . . . 6279 1 823 . 1 1 71 71 SER H H 1 8.925 0.02 . 1 . . . . . . . . 6279 1 824 . 1 1 71 71 SER CA C 13 59.227 0.05 . 1 . . . . . . . . 6279 1 825 . 1 1 71 71 SER HA H 1 4.342 0.02 . 1 . . . . . . . . 6279 1 826 . 1 1 71 71 SER CB C 13 65.094 0.05 . 1 . . . . . . . . 6279 1 827 . 1 1 71 71 SER HB2 H 1 4.009 0.02 . 1 . . . . . . . . 6279 1 828 . 1 1 71 71 SER HB3 H 1 4.009 0.02 . 1 . . . . . . . . 6279 1 829 . 1 1 71 71 SER C C 13 173.163 0.05 . 1 . . . . . . . . 6279 1 830 . 1 1 72 72 ASN N N 15 116.956 0.05 . 1 . . . . . . . . 6279 1 831 . 1 1 72 72 ASN H H 1 8.104 0.02 . 1 . . . . . . . . 6279 1 832 . 1 1 72 72 ASN CA C 13 52.866 0.05 . 1 . . . . . . . . 6279 1 833 . 1 1 72 72 ASN HA H 1 4.678 0.02 . 1 . . . . . . . . 6279 1 834 . 1 1 72 72 ASN CB C 13 37.574 0.05 . 1 . . . . . . . . 6279 1 835 . 1 1 72 72 ASN HB2 H 1 2.956 0.02 . 2 . . . . . . . . 6279 1 836 . 1 1 72 72 ASN HB3 H 1 2.728 0.02 . 2 . . . . . . . . 6279 1 837 . 1 1 72 72 ASN ND2 N 15 112.245 0.05 . 1 . . . . . . . . 6279 1 838 . 1 1 72 72 ASN HD21 H 1 6.734 0.02 . 2 . . . . . . . . 6279 1 839 . 1 1 72 72 ASN HD22 H 1 7.284 0.02 . 2 . . . . . . . . 6279 1 840 . 1 1 72 72 ASN C C 13 175.641 0.05 . 1 . . . . . . . . 6279 1 841 . 1 1 73 73 SER N N 15 113.591 0.05 . 1 . . . . . . . . 6279 1 842 . 1 1 73 73 SER H H 1 8.02 0.02 . 1 . . . . . . . . 6279 1 843 . 1 1 73 73 SER CA C 13 55.622 0.05 . 1 . . . . . . . . 6279 1 844 . 1 1 73 73 SER HA H 1 5 0.02 . 1 . . . . . . . . 6279 1 845 . 1 1 73 73 SER CB C 13 64.208 0.05 . 1 . . . . . . . . 6279 1 846 . 1 1 73 73 SER HB2 H 1 3.581 0.02 . 2 . . . . . . . . 6279 1 847 . 1 1 73 73 SER HB3 H 1 3.793 0.02 . 2 . . . . . . . . 6279 1 848 . 1 1 73 73 SER C C 13 174.154 0.05 . 1 . . . . . . . . 6279 1 849 . 1 1 74 74 PRO CA C 13 61.328 0.05 . 1 . . . . . . . . 6279 1 850 . 1 1 74 74 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 6279 1 851 . 1 1 74 74 PRO CB C 13 29.11 0.05 . 1 . . . . . . . . 6279 1 852 . 1 1 74 74 PRO CG C 13 27.377 0.05 . 1 . . . . . . . . 6279 1 853 . 1 1 74 74 PRO CD C 13 50.247 0.05 . 1 . . . . . . . . 6279 1 854 . 1 1 74 74 PRO C C 13 177.787 0.05 . 1 . . . . . . . . 6279 1 855 . 1 1 75 75 PHE N N 15 119.924 0.05 . 1 . . . . . . . . 6279 1 856 . 1 1 75 75 PHE H H 1 8.464 0.02 . 1 . . . . . . . . 6279 1 857 . 1 1 75 75 PHE CA C 13 56.285 0.05 . 1 . . . . . . . . 6279 1 858 . 1 1 75 75 PHE HA H 1 4.568 0.02 . 1 . . . . . . . . 6279 1 859 . 1 1 75 75 PHE CB C 13 42.694 0.05 . 1 . . . . . . . . 6279 1 860 . 1 1 75 75 PHE HB2 H 1 2.762 0.02 . 1 . . . . . . . . 6279 1 861 . 1 1 75 75 PHE HB3 H 1 2.762 0.02 . 1 . . . . . . . . 6279 1 862 . 1 1 75 75 PHE C C 13 176.072 0.05 . 1 . . . . . . . . 6279 1 863 . 1 1 76 76 GLN N N 15 120.221 0.05 . 1 . . . . . . . . 6279 1 864 . 1 1 76 76 GLN H H 1 9.1 0.02 . 1 . . . . . . . . 6279 1 865 . 1 1 76 76 GLN CA C 13 57.074 0.05 . 1 . . . . . . . . 6279 1 866 . 1 1 76 76 GLN HA H 1 4.938 0.02 . 1 . . . . . . . . 6279 1 867 . 1 1 76 76 GLN CB C 13 28.352 0.05 . 1 . . . . . . . . 6279 1 868 . 1 1 76 76 GLN HB2 H 1 2.213 0.02 . 1 . . . . . . . . 6279 1 869 . 1 1 76 76 GLN HB3 H 1 2.213 0.02 . 1 . . . . . . . . 6279 1 870 . 1 1 76 76 GLN CG C 13 32.991 0.05 . 1 . . . . . . . . 6279 1 871 . 1 1 76 76 GLN HG2 H 1 2.526 0.02 . 2 . . . . . . . . 6279 1 872 . 1 1 76 76 GLN HG3 H 1 2.663 0.02 . 2 . . . . . . . . 6279 1 873 . 1 1 76 76 GLN NE2 N 15 111.728 0.05 . 1 . . . . . . . . 6279 1 874 . 1 1 76 76 GLN HE21 H 1 7.51 0.02 . 2 . . . . . . . . 6279 1 875 . 1 1 76 76 GLN HE22 H 1 6.698 0.02 . 2 . . . . . . . . 6279 1 876 . 1 1 76 76 GLN C C 13 174.998 0.05 . 1 . . . . . . . . 6279 1 877 . 1 1 77 77 ILE N N 15 115.768 0.05 . 1 . . . . . . . . 6279 1 878 . 1 1 77 77 ILE H H 1 8.585 0.02 . 1 . . . . . . . . 6279 1 879 . 1 1 77 77 ILE CA C 13 58.715 0.05 . 1 . . . . . . . . 6279 1 880 . 1 1 77 77 ILE HA H 1 5.248 0.02 . 1 . . . . . . . . 6279 1 881 . 1 1 77 77 ILE CB C 13 43.085 0.05 . 1 . . . . . . . . 6279 1 882 . 1 1 77 77 ILE HB H 1 1.464 0.02 . 1 . . . . . . . . 6279 1 883 . 1 1 77 77 ILE CG1 C 13 25.452 0.05 . 2 . . . . . . . . 6279 1 884 . 1 1 77 77 ILE HG12 H 1 1.009 0.02 . 1 . . . . . . . . 6279 1 885 . 1 1 77 77 ILE HG13 H 1 1.009 0.02 . 1 . . . . . . . . 6279 1 886 . 1 1 77 77 ILE CD1 C 13 14.525 0.05 . 1 . . . . . . . . 6279 1 887 . 1 1 77 77 ILE HD11 H 1 0.844 0.02 . 1 . . . . . . . . 6279 1 888 . 1 1 77 77 ILE HD12 H 1 0.844 0.02 . 1 . . . . . . . . 6279 1 889 . 1 1 77 77 ILE HD13 H 1 0.844 0.02 . 1 . . . . . . . . 6279 1 890 . 1 1 77 77 ILE CG2 C 13 18.993 0.05 . 1 . . . . . . . . 6279 1 891 . 1 1 77 77 ILE HG21 H 1 0.807 0.02 . 1 . . . . . . . . 6279 1 892 . 1 1 77 77 ILE HG22 H 1 0.807 0.02 . 1 . . . . . . . . 6279 1 893 . 1 1 77 77 ILE HG23 H 1 0.807 0.02 . 1 . . . . . . . . 6279 1 894 . 1 1 77 77 ILE C C 13 177.227 0.05 . 1 . . . . . . . . 6279 1 895 . 1 1 78 78 THR N N 15 122.002 0.05 . 1 . . . . . . . . 6279 1 896 . 1 1 78 78 THR H H 1 9.203 0.02 . 1 . . . . . . . . 6279 1 897 . 1 1 78 78 THR CA C 13 63.581 0.05 . 1 . . . . . . . . 6279 1 898 . 1 1 78 78 THR HA H 1 4.901 0.02 . 1 . . . . . . . . 6279 1 899 . 1 1 78 78 THR CB C 13 69.954 0.05 . 1 . . . . . . . . 6279 1 900 . 1 1 78 78 THR HB H 1 4.263 0.02 . 1 . . . . . . . . 6279 1 901 . 1 1 78 78 THR CG2 C 13 22.354 0.05 . 1 . . . . . . . . 6279 1 902 . 1 1 78 78 THR HG21 H 1 1.083 0.02 . 1 . . . . . . . . 6279 1 903 . 1 1 78 78 THR HG22 H 1 1.083 0.02 . 1 . . . . . . . . 6279 1 904 . 1 1 78 78 THR HG23 H 1 1.083 0.02 . 1 . . . . . . . . 6279 1 905 . 1 1 78 78 THR C C 13 173.68 0.05 . 1 . . . . . . . . 6279 1 906 . 1 1 79 79 THR N N 15 125.862 0.05 . 1 . . . . . . . . 6279 1 907 . 1 1 79 79 THR H H 1 9.25 0.02 . 1 . . . . . . . . 6279 1 908 . 1 1 79 79 THR CA C 13 63.269 0.05 . 1 . . . . . . . . 6279 1 909 . 1 1 79 79 THR HA H 1 4.765 0.02 . 1 . . . . . . . . 6279 1 910 . 1 1 79 79 THR CB C 13 70.119 0.05 . 1 . . . . . . . . 6279 1 911 . 1 1 79 79 THR HB H 1 3.961 0.02 . 1 . . . . . . . . 6279 1 912 . 1 1 79 79 THR CG2 C 13 23.047 0.05 . 1 . . . . . . . . 6279 1 913 . 1 1 79 79 THR HG21 H 1 1.147 0.02 . 1 . . . . . . . . 6279 1 914 . 1 1 79 79 THR HG22 H 1 1.147 0.02 . 1 . . . . . . . . 6279 1 915 . 1 1 79 79 THR HG23 H 1 1.147 0.02 . 1 . . . . . . . . 6279 1 916 . 1 1 79 79 THR C C 13 173.862 0.05 . 1 . . . . . . . . 6279 1 917 . 1 1 80 80 CYS N N 15 127.346 0.05 . 1 . . . . . . . . 6279 1 918 . 1 1 80 80 CYS H H 1 8.911 0.02 . 1 . . . . . . . . 6279 1 919 . 1 1 80 80 CYS CA C 13 52.343 0.05 . 1 . . . . . . . . 6279 1 920 . 1 1 80 80 CYS HA H 1 5.7 0.02 . 1 . . . . . . . . 6279 1 921 . 1 1 80 80 CYS CB C 13 38.448 0.05 . 1 . . . . . . . . 6279 1 922 . 1 1 80 80 CYS HB2 H 1 2.601 0.02 . 2 . . . . . . . . 6279 1 923 . 1 1 80 80 CYS HB3 H 1 3.062 0.02 . 2 . . . . . . . . 6279 1 924 . 1 1 80 80 CYS C C 13 174.245 0.05 . 1 . . . . . . . . 6279 1 925 . 1 1 81 81 THR N N 15 119.034 0.05 . 1 . . . . . . . . 6279 1 926 . 1 1 81 81 THR H H 1 9.402 0.02 . 1 . . . . . . . . 6279 1 927 . 1 1 81 81 THR CA C 13 61.157 0.05 . 1 . . . . . . . . 6279 1 928 . 1 1 81 81 THR HA H 1 5.27 0.02 . 1 . . . . . . . . 6279 1 929 . 1 1 81 81 THR CB C 13 70.333 0.05 . 1 . . . . . . . . 6279 1 930 . 1 1 81 81 THR HB H 1 4.129 0.02 . 1 . . . . . . . . 6279 1 931 . 1 1 81 81 THR CG2 C 13 21.99 0.05 . 1 . . . . . . . . 6279 1 932 . 1 1 81 81 THR HG21 H 1 1.251 0.02 . 1 . . . . . . . . 6279 1 933 . 1 1 81 81 THR HG22 H 1 1.251 0.02 . 1 . . . . . . . . 6279 1 934 . 1 1 81 81 THR HG23 H 1 1.251 0.02 . 1 . . . . . . . . 6279 1 935 . 1 1 81 81 THR C C 13 174.065 0.05 . 1 . . . . . . . . 6279 1 936 . 1 1 82 82 HIS N N 15 128.534 0.05 . 1 . . . . . . . . 6279 1 937 . 1 1 82 82 HIS H H 1 9.566 0.02 . 1 . . . . . . . . 6279 1 938 . 1 1 82 82 HIS CA C 13 54.007 0.05 . 1 . . . . . . . . 6279 1 939 . 1 1 82 82 HIS HA H 1 4.484 0.02 . 1 . . . . . . . . 6279 1 940 . 1 1 82 82 HIS CB C 13 29.298 0.05 . 1 . . . . . . . . 6279 1 941 . 1 1 82 82 HIS HB2 H 1 3.094 0.02 . 2 . . . . . . . . 6279 1 942 . 1 1 82 82 HIS HB3 H 1 3.188 0.02 . 2 . . . . . . . . 6279 1 943 . 1 1 82 82 HIS C C 13 173.894 0.05 . 1 . . . . . . . . 6279 1 944 . 1 1 83 83 SER N N 15 123.19 0.05 . 1 . . . . . . . . 6279 1 945 . 1 1 83 83 SER H H 1 7.878 0.02 . 1 . . . . . . . . 6279 1 946 . 1 1 83 83 SER CA C 13 58.599 0.05 . 1 . . . . . . . . 6279 1 947 . 1 1 83 83 SER HA H 1 4.24 0.02 . 1 . . . . . . . . 6279 1 948 . 1 1 83 83 SER CB C 13 63.563 0.05 . 1 . . . . . . . . 6279 1 949 . 1 1 83 83 SER HB2 H 1 3.59 0.02 . 2 . . . . . . . . 6279 1 950 . 1 1 83 83 SER HB3 H 1 3.693 0.02 . 2 . . . . . . . . 6279 1 951 . 1 1 83 83 SER C C 13 173.711 0.05 . 1 . . . . . . . . 6279 1 952 . 1 1 84 84 ARG N N 15 120.815 0.05 . 1 . . . . . . . . 6279 1 953 . 1 1 84 84 ARG H H 1 7.407 0.02 . 1 . . . . . . . . 6279 1 954 . 1 1 84 84 ARG CA C 13 56.142 0.05 . 1 . . . . . . . . 6279 1 955 . 1 1 84 84 ARG HA H 1 3.986 0.02 . 1 . . . . . . . . 6279 1 956 . 1 1 84 84 ARG CB C 13 30.303 0.05 . 1 . . . . . . . . 6279 1 957 . 1 1 84 84 ARG HB2 H 1 1.687 0.02 . 1 . . . . . . . . 6279 1 958 . 1 1 84 84 ARG HB3 H 1 1.687 0.02 . 1 . . . . . . . . 6279 1 959 . 1 1 84 84 ARG CG C 13 27.331 0.05 . 1 . . . . . . . . 6279 1 960 . 1 1 84 84 ARG HG2 H 1 1.564 0.02 . 2 . . . . . . . . 6279 1 961 . 1 1 84 84 ARG HG3 H 1 1.496 0.02 . 2 . . . . . . . . 6279 1 962 . 1 1 84 84 ARG CD C 13 43.273 0.05 . 1 . . . . . . . . 6279 1 963 . 1 1 84 84 ARG HD2 H 1 3.168 0.02 . 2 . . . . . . . . 6279 1 964 . 1 1 84 84 ARG HD3 H 1 3.106 0.02 . 2 . . . . . . . . 6279 1 965 . 1 1 84 84 ARG NE N 15 83.622 0.05 . 1 . . . . . . . . 6279 1 966 . 1 1 84 84 ARG HE H 1 7.398 0.02 . 1 . . . . . . . . 6279 1 967 . 1 1 84 84 ARG C C 13 176.278 0.05 . 1 . . . . . . . . 6279 1 968 . 1 1 85 85 GLY N N 15 108.94 0.05 . 1 . . . . . . . . 6279 1 969 . 1 1 85 85 GLY H H 1 8.127 0.02 . 1 . . . . . . . . 6279 1 970 . 1 1 85 85 GLY CA C 13 45.257 0.05 . 1 . . . . . . . . 6279 1 971 . 1 1 85 85 GLY HA2 H 1 3.817 0.02 . 2 . . . . . . . . 6279 1 972 . 1 1 85 85 GLY HA3 H 1 3.995 0.02 . 2 . . . . . . . . 6279 1 973 . 1 1 85 85 GLY C C 13 174.009 0.05 . 1 . . . . . . . . 6279 1 974 . 1 1 86 86 SER N N 15 116.362 0.05 . 1 . . . . . . . . 6279 1 975 . 1 1 86 86 SER H H 1 7.842 0.02 . 1 . . . . . . . . 6279 1 976 . 1 1 86 86 SER CA C 13 55.114 0.05 . 1 . . . . . . . . 6279 1 977 . 1 1 86 86 SER HA H 1 4.778 0.02 . 1 . . . . . . . . 6279 1 978 . 1 1 86 86 SER CB C 13 63.787 0.05 . 1 . . . . . . . . 6279 1 979 . 1 1 86 86 SER HB2 H 1 3.713 0.02 . 2 . . . . . . . . 6279 1 980 . 1 1 86 86 SER HB3 H 1 3.933 0.02 . 2 . . . . . . . . 6279 1 981 . 1 1 87 87 PRO CA C 13 63.451 0.05 . 1 . . . . . . . . 6279 1 982 . 1 1 87 87 PRO CB C 13 31.31 0.05 . 1 . . . . . . . . 6279 1 983 . 1 1 87 87 PRO CG C 13 26.647 0.05 . 1 . . . . . . . . 6279 1 984 . 1 1 87 87 PRO CD C 13 50.85 0.05 . 1 . . . . . . . . 6279 1 985 . 1 1 87 87 PRO C C 13 175.005 0.05 . 1 . . . . . . . . 6279 1 986 . 1 1 88 88 TRP N N 15 117.549 0.05 . 1 . . . . . . . . 6279 1 987 . 1 1 88 88 TRP H H 1 7.253 0.02 . 1 . . . . . . . . 6279 1 988 . 1 1 88 88 TRP CA C 13 53.82 0.05 . 1 . . . . . . . . 6279 1 989 . 1 1 88 88 TRP HA H 1 5.088 0.02 . 1 . . . . . . . . 6279 1 990 . 1 1 88 88 TRP CB C 13 29.262 0.05 . 1 . . . . . . . . 6279 1 991 . 1 1 88 88 TRP HB2 H 1 3.57 0.02 . 2 . . . . . . . . 6279 1 992 . 1 1 88 88 TRP HB3 H 1 2.875 0.02 . 2 . . . . . . . . 6279 1 993 . 1 1 88 88 TRP HD1 H 1 7.196 0.02 . 1 . . . . . . . . 6279 1 994 . 1 1 88 88 TRP NE1 N 15 128.81 0.05 . 1 . . . . . . . . 6279 1 995 . 1 1 88 88 TRP HE1 H 1 10.125 0.02 . 1 . . . . . . . . 6279 1 996 . 1 1 88 88 TRP C C 13 173.434 0.05 . 1 . . . . . . . . 6279 1 997 . 1 1 90 90 PRO CA C 13 62.206 0.05 . 1 . . . . . . . . 6279 1 998 . 1 1 90 90 PRO CB C 13 33.821 0.05 . 1 . . . . . . . . 6279 1 999 . 1 1 90 90 PRO CG C 13 25.448 0.05 . 1 . . . . . . . . 6279 1 1000 . 1 1 90 90 PRO C C 13 177.246 0.05 . 1 . . . . . . . . 6279 1 1001 . 1 1 91 91 CYS N N 15 123.932 0.05 . 1 . . . . . . . . 6279 1 1002 . 1 1 91 91 CYS H H 1 9.442 0.02 . 1 . . . . . . . . 6279 1 1003 . 1 1 91 91 CYS CA C 13 54.673 0.05 . 1 . . . . . . . . 6279 1 1004 . 1 1 91 91 CYS HA H 1 4.482 0.02 . 1 . . . . . . . . 6279 1 1005 . 1 1 91 91 CYS CB C 13 41.326 0.05 . 1 . . . . . . . . 6279 1 1006 . 1 1 91 91 CYS HB2 H 1 2.582 0.02 . 2 . . . . . . . . 6279 1 1007 . 1 1 91 91 CYS HB3 H 1 2.795 0.02 . 2 . . . . . . . . 6279 1 1008 . 1 1 91 91 CYS C C 13 175.252 0.05 . 1 . . . . . . . . 6279 1 1009 . 1 1 92 92 GLY N N 15 112.799 0.05 . 1 . . . . . . . . 6279 1 1010 . 1 1 92 92 GLY H H 1 8.86 0.02 . 1 . . . . . . . . 6279 1 1011 . 1 1 92 92 GLY CA C 13 46.045 0.05 . 1 . . . . . . . . 6279 1 1012 . 1 1 92 92 GLY HA2 H 1 4.158 0.02 . 2 . . . . . . . . 6279 1 1013 . 1 1 92 92 GLY HA3 H 1 3.624 0.02 . 2 . . . . . . . . 6279 1 1014 . 1 1 92 92 GLY C C 13 174.983 0.05 . 1 . . . . . . . . 6279 1 1015 . 1 1 93 93 TYR N N 15 119.034 0.05 . 1 . . . . . . . . 6279 1 1016 . 1 1 93 93 TYR H H 1 8.635 0.02 . 1 . . . . . . . . 6279 1 1017 . 1 1 93 93 TYR CA C 13 60.222 0.05 . 1 . . . . . . . . 6279 1 1018 . 1 1 93 93 TYR HA H 1 4.738 0.02 . 1 . . . . . . . . 6279 1 1019 . 1 1 93 93 TYR CB C 13 42.371 0.05 . 1 . . . . . . . . 6279 1 1020 . 1 1 93 93 TYR HB2 H 1 2.575 0.02 . 2 . . . . . . . . 6279 1 1021 . 1 1 93 93 TYR HB3 H 1 2.31 0.02 . 2 . . . . . . . . 6279 1 1022 . 1 1 93 93 TYR C C 13 175.46 0.05 . 1 . . . . . . . . 6279 1 1023 . 1 1 94 94 ARG N N 15 118.737 0.05 . 1 . . . . . . . . 6279 1 1024 . 1 1 94 94 ARG H H 1 8.754 0.02 . 1 . . . . . . . . 6279 1 1025 . 1 1 94 94 ARG CA C 13 52.948 0.05 . 1 . . . . . . . . 6279 1 1026 . 1 1 94 94 ARG HA H 1 4.771 0.02 . 1 . . . . . . . . 6279 1 1027 . 1 1 94 94 ARG CB C 13 32.376 0.05 . 1 . . . . . . . . 6279 1 1028 . 1 1 94 94 ARG HB2 H 1 1.776 0.02 . 1 . . . . . . . . 6279 1 1029 . 1 1 94 94 ARG HB3 H 1 1.776 0.02 . 1 . . . . . . . . 6279 1 1030 . 1 1 94 94 ARG CG C 13 27.092 0.05 . 1 . . . . . . . . 6279 1 1031 . 1 1 94 94 ARG HG2 H 1 1.593 0.02 . 1 . . . . . . . . 6279 1 1032 . 1 1 94 94 ARG HG3 H 1 1.593 0.02 . 1 . . . . . . . . 6279 1 1033 . 1 1 94 94 ARG CD C 13 43.427 0.05 . 1 . . . . . . . . 6279 1 1034 . 1 1 94 94 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 6279 1 1035 . 1 1 94 94 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 6279 1 1036 . 1 1 94 94 ARG NE N 15 83.608 0.05 . 1 . . . . . . . . 6279 1 1037 . 1 1 94 94 ARG HE H 1 7.252 0.02 . 1 . . . . . . . . 6279 1 1038 . 1 1 94 94 ARG C C 13 175.804 0.05 . 1 . . . . . . . . 6279 1 1039 . 1 1 95 95 ALA N N 15 125.268 0.05 . 1 . . . . . . . . 6279 1 1040 . 1 1 95 95 ALA H H 1 8.642 0.02 . 1 . . . . . . . . 6279 1 1041 . 1 1 95 95 ALA CA C 13 50.924 0.05 . 1 . . . . . . . . 6279 1 1042 . 1 1 95 95 ALA HA H 1 5.383 0.02 . 1 . . . . . . . . 6279 1 1043 . 1 1 95 95 ALA CB C 13 22.511 0.05 . 1 . . . . . . . . 6279 1 1044 . 1 1 95 95 ALA HB1 H 1 1.253 0.02 . 1 . . . . . . . . 6279 1 1045 . 1 1 95 95 ALA HB2 H 1 1.253 0.02 . 1 . . . . . . . . 6279 1 1046 . 1 1 95 95 ALA HB3 H 1 1.253 0.02 . 1 . . . . . . . . 6279 1 1047 . 1 1 95 95 ALA C C 13 178.107 0.05 . 1 . . . . . . . . 6279 1 1048 . 1 1 96 96 PHE N N 15 122.002 0.05 . 1 . . . . . . . . 6279 1 1049 . 1 1 96 96 PHE H H 1 9.066 0.02 . 1 . . . . . . . . 6279 1 1050 . 1 1 96 96 PHE CA C 13 57.569 0.05 . 1 . . . . . . . . 6279 1 1051 . 1 1 96 96 PHE HA H 1 4.865 0.02 . 1 . . . . . . . . 6279 1 1052 . 1 1 96 96 PHE CB C 13 41.211 0.05 . 1 . . . . . . . . 6279 1 1053 . 1 1 96 96 PHE HB2 H 1 3.05 0.02 . 2 . . . . . . . . 6279 1 1054 . 1 1 96 96 PHE HB3 H 1 3.255 0.02 . 2 . . . . . . . . 6279 1 1055 . 1 1 96 96 PHE C C 13 175.24 0.05 . 1 . . . . . . . . 6279 1 1056 . 1 1 97 97 LYS N N 15 128.534 0.05 . 1 . . . . . . . . 6279 1 1057 . 1 1 97 97 LYS H H 1 8.589 0.02 . 1 . . . . . . . . 6279 1 1058 . 1 1 97 97 LYS CA C 13 55.054 0.05 . 1 . . . . . . . . 6279 1 1059 . 1 1 97 97 LYS HA H 1 5.071 0.02 . 1 . . . . . . . . 6279 1 1060 . 1 1 97 97 LYS CB C 13 33.469 0.05 . 1 . . . . . . . . 6279 1 1061 . 1 1 97 97 LYS HB2 H 1 1.833 0.02 . 1 . . . . . . . . 6279 1 1062 . 1 1 97 97 LYS HB3 H 1 1.833 0.02 . 1 . . . . . . . . 6279 1 1063 . 1 1 97 97 LYS CG C 13 24.245 0.05 . 1 . . . . . . . . 6279 1 1064 . 1 1 97 97 LYS HG2 H 1 1.495 0.02 . 1 . . . . . . . . 6279 1 1065 . 1 1 97 97 LYS HG3 H 1 1.495 0.02 . 1 . . . . . . . . 6279 1 1066 . 1 1 97 97 LYS CD C 13 29.653 0.05 . 1 . . . . . . . . 6279 1 1067 . 1 1 97 97 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 6279 1 1068 . 1 1 97 97 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 6279 1 1069 . 1 1 97 97 LYS CE C 13 41.708 0.05 . 1 . . . . . . . . 6279 1 1070 . 1 1 97 97 LYS HE2 H 1 3.079 0.02 . 2 . . . . . . . . 6279 1 1071 . 1 1 97 97 LYS HE3 H 1 2.999 0.02 . 2 . . . . . . . . 6279 1 1072 . 1 1 97 97 LYS C C 13 174.388 0.05 . 1 . . . . . . . . 6279 1 1073 . 1 1 98 98 ASP N N 15 120.518 0.05 . 1 . . . . . . . . 6279 1 1074 . 1 1 98 98 ASP H H 1 8.629 0.02 . 1 . . . . . . . . 6279 1 1075 . 1 1 98 98 ASP CA C 13 52.524 0.05 . 1 . . . . . . . . 6279 1 1076 . 1 1 98 98 ASP HA H 1 4.875 0.02 . 1 . . . . . . . . 6279 1 1077 . 1 1 98 98 ASP CB C 13 45.525 0.05 . 1 . . . . . . . . 6279 1 1078 . 1 1 98 98 ASP HB2 H 1 2.464 0.02 . 2 . . . . . . . . 6279 1 1079 . 1 1 98 98 ASP HB3 H 1 2.622 0.02 . 2 . . . . . . . . 6279 1 1080 . 1 1 98 98 ASP C C 13 174.131 0.05 . 1 . . . . . . . . 6279 1 1081 . 1 1 99 99 PHE N N 15 123.784 0.05 . 1 . . . . . . . . 6279 1 1082 . 1 1 99 99 PHE H H 1 9.302 0.02 . 1 . . . . . . . . 6279 1 1083 . 1 1 99 99 PHE CA C 13 54.972 0.05 . 1 . . . . . . . . 6279 1 1084 . 1 1 99 99 PHE HA H 1 5.585 0.02 . 1 . . . . . . . . 6279 1 1085 . 1 1 99 99 PHE CB C 13 39.555 0.05 . 1 . . . . . . . . 6279 1 1086 . 1 1 99 99 PHE HB2 H 1 2.846 0.02 . 2 . . . . . . . . 6279 1 1087 . 1 1 99 99 PHE HB3 H 1 3.042 0.02 . 2 . . . . . . . . 6279 1 1088 . 1 1 99 99 PHE C C 13 174.432 0.05 . 1 . . . . . . . . 6279 1 1089 . 1 1 100 100 ARG N N 15 120.221 0.05 . 1 . . . . . . . . 6279 1 1090 . 1 1 100 100 ARG H H 1 8.363 0.02 . 1 . . . . . . . . 6279 1 1091 . 1 1 100 100 ARG CA C 13 53.957 0.05 . 1 . . . . . . . . 6279 1 1092 . 1 1 100 100 ARG HA H 1 4.635 0.02 . 1 . . . . . . . . 6279 1 1093 . 1 1 100 100 ARG CB C 13 32.87 0.05 . 1 . . . . . . . . 6279 1 1094 . 1 1 100 100 ARG HB2 H 1 1.99 0.02 . 1 . . . . . . . . 6279 1 1095 . 1 1 100 100 ARG HB3 H 1 1.99 0.02 . 1 . . . . . . . . 6279 1 1096 . 1 1 100 100 ARG CG C 13 25.332 0.05 . 1 . . . . . . . . 6279 1 1097 . 1 1 100 100 ARG HG2 H 1 1.635 0.02 . 1 . . . . . . . . 6279 1 1098 . 1 1 100 100 ARG HG3 H 1 1.635 0.02 . 1 . . . . . . . . 6279 1 1099 . 1 1 100 100 ARG CD C 13 43.607 0.05 . 1 . . . . . . . . 6279 1 1100 . 1 1 100 100 ARG HD2 H 1 3.239 0.02 . 1 . . . . . . . . 6279 1 1101 . 1 1 100 100 ARG HD3 H 1 3.239 0.02 . 1 . . . . . . . . 6279 1 1102 . 1 1 100 100 ARG C C 13 175.769 0.05 . 1 . . . . . . . . 6279 1 1103 . 1 1 101 101 TYR N N 15 120.518 0.05 . 1 . . . . . . . . 6279 1 1104 . 1 1 101 101 TYR H H 1 7.627 0.02 . 1 . . . . . . . . 6279 1 1105 . 1 1 101 101 TYR CA C 13 59.398 0.05 . 1 . . . . . . . . 6279 1 1106 . 1 1 101 101 TYR HA H 1 4.154 0.02 . 1 . . . . . . . . 6279 1 1107 . 1 1 101 101 TYR CB C 13 37.137 0.05 . 1 . . . . . . . . 6279 1 1108 . 1 1 101 101 TYR HB2 H 1 2.767 0.02 . 1 . . . . . . . . 6279 1 1109 . 1 1 101 101 TYR HB3 H 1 2.767 0.02 . 1 . . . . . . . . 6279 1 1110 . 1 1 101 101 TYR C C 13 175.057 0.05 . 1 . . . . . . . . 6279 1 1111 . 1 1 102 102 ILE N N 15 111.612 0.05 . 1 . . . . . . . . 6279 1 1112 . 1 1 102 102 ILE H H 1 8.102 0.02 . 1 . . . . . . . . 6279 1 1113 . 1 1 102 102 ILE CA C 13 59.178 0.05 . 1 . . . . . . . . 6279 1 1114 . 1 1 102 102 ILE HA H 1 4.626 0.02 . 1 . . . . . . . . 6279 1 1115 . 1 1 102 102 ILE CB C 13 41.618 0.05 . 1 . . . . . . . . 6279 1 1116 . 1 1 102 102 ILE HB H 1 1.641 0.02 . 1 . . . . . . . . 6279 1 1117 . 1 1 102 102 ILE CG1 C 13 23.956 0.05 . 2 . . . . . . . . 6279 1 1118 . 1 1 102 102 ILE HG12 H 1 1.288 0.02 . 1 . . . . . . . . 6279 1 1119 . 1 1 102 102 ILE HG13 H 1 0.966 0.02 . 1 . . . . . . . . 6279 1 1120 . 1 1 102 102 ILE CD1 C 13 13.594 0.05 . 1 . . . . . . . . 6279 1 1121 . 1 1 102 102 ILE HD11 H 1 0.266 0.02 . 1 . . . . . . . . 6279 1 1122 . 1 1 102 102 ILE HD12 H 1 0.266 0.02 . 1 . . . . . . . . 6279 1 1123 . 1 1 102 102 ILE HD13 H 1 0.266 0.02 . 1 . . . . . . . . 6279 1 1124 . 1 1 102 102 ILE CG2 C 13 18.212 0.05 . 2 . . . . . . . . 6279 1 1125 . 1 1 102 102 ILE HG21 H 1 1.019 0.02 . 1 . . . . . . . . 6279 1 1126 . 1 1 102 102 ILE HG22 H 1 1.019 0.02 . 1 . . . . . . . . 6279 1 1127 . 1 1 102 102 ILE HG23 H 1 1.019 0.02 . 1 . . . . . . . . 6279 1 1128 . 1 1 102 102 ILE C C 13 172.716 0.05 . 1 . . . . . . . . 6279 1 1129 . 1 1 103 103 VAL N N 15 121.706 0.05 . 1 . . . . . . . . 6279 1 1130 . 1 1 103 103 VAL H H 1 7.787 0.02 . 1 . . . . . . . . 6279 1 1131 . 1 1 103 103 VAL CA C 13 60.566 0.05 . 1 . . . . . . . . 6279 1 1132 . 1 1 103 103 VAL HA H 1 4.772 0.02 . 1 . . . . . . . . 6279 1 1133 . 1 1 103 103 VAL CB C 13 32.936 0.05 . 1 . . . . . . . . 6279 1 1134 . 1 1 103 103 VAL HB H 1 1.139 0.02 . 1 . . . . . . . . 6279 1 1135 . 1 1 103 103 VAL CG2 C 13 22.84 0.05 . 2 . . . . . . . . 6279 1 1136 . 1 1 103 103 VAL HG11 H 1 0.478 0.02 . 2 . . . . . . . . 6279 1 1137 . 1 1 103 103 VAL HG12 H 1 0.478 0.02 . 2 . . . . . . . . 6279 1 1138 . 1 1 103 103 VAL HG13 H 1 0.478 0.02 . 2 . . . . . . . . 6279 1 1139 . 1 1 103 103 VAL CG1 C 13 19.231 0.05 . 1 . . . . . . . . 6279 1 1140 . 1 1 103 103 VAL HG21 H 1 -0.648 0.02 . 2 . . . . . . . . 6279 1 1141 . 1 1 103 103 VAL HG22 H 1 -0.648 0.02 . 2 . . . . . . . . 6279 1 1142 . 1 1 103 103 VAL HG23 H 1 -0.648 0.02 . 2 . . . . . . . . 6279 1 1143 . 1 1 103 103 VAL C C 13 175.235 0.05 . 1 . . . . . . . . 6279 1 1144 . 1 1 104 104 ILE N N 15 118.143 0.05 . 1 . . . . . . . . 6279 1 1145 . 1 1 104 104 ILE H H 1 8.532 0.02 . 1 . . . . . . . . 6279 1 1146 . 1 1 104 104 ILE CA C 13 57.59 0.05 . 1 . . . . . . . . 6279 1 1147 . 1 1 104 104 ILE HA H 1 4.919 0.02 . 1 . . . . . . . . 6279 1 1148 . 1 1 104 104 ILE CB C 13 42.61 0.05 . 1 . . . . . . . . 6279 1 1149 . 1 1 104 104 ILE HB H 1 2.064 0.02 . 1 . . . . . . . . 6279 1 1150 . 1 1 104 104 ILE CG1 C 13 33.052 0.05 . 2 . . . . . . . . 6279 1 1151 . 1 1 104 104 ILE HG12 H 1 1.075 0.02 . 1 . . . . . . . . 6279 1 1152 . 1 1 104 104 ILE HG13 H 1 1.075 0.02 . 1 . . . . . . . . 6279 1 1153 . 1 1 104 104 ILE CD1 C 13 16.159 0.05 . 1 . . . . . . . . 6279 1 1154 . 1 1 104 104 ILE HD11 H 1 0.5 0.02 . 1 . . . . . . . . 6279 1 1155 . 1 1 104 104 ILE HD12 H 1 0.5 0.02 . 1 . . . . . . . . 6279 1 1156 . 1 1 104 104 ILE HD13 H 1 0.5 0.02 . 1 . . . . . . . . 6279 1 1157 . 1 1 104 104 ILE CG2 C 13 17.662 0.05 . 2 . . . . . . . . 6279 1 1158 . 1 1 104 104 ILE HG21 H 1 0.789 0.02 . 1 . . . . . . . . 6279 1 1159 . 1 1 104 104 ILE HG22 H 1 0.789 0.02 . 1 . . . . . . . . 6279 1 1160 . 1 1 104 104 ILE HG23 H 1 0.789 0.02 . 1 . . . . . . . . 6279 1 1161 . 1 1 104 104 ILE C C 13 174.145 0.05 . 1 . . . . . . . . 6279 1 1162 . 1 1 105 105 ALA N N 15 119.924 0.05 . 1 . . . . . . . . 6279 1 1163 . 1 1 105 105 ALA H H 1 8.449 0.02 . 1 . . . . . . . . 6279 1 1164 . 1 1 105 105 ALA CA C 13 50.133 0.05 . 1 . . . . . . . . 6279 1 1165 . 1 1 105 105 ALA HA H 1 4.933 0.02 . 1 . . . . . . . . 6279 1 1166 . 1 1 105 105 ALA CB C 13 21.932 0.05 . 1 . . . . . . . . 6279 1 1167 . 1 1 105 105 ALA HB1 H 1 1.268 0.02 . 1 . . . . . . . . 6279 1 1168 . 1 1 105 105 ALA HB2 H 1 1.268 0.02 . 1 . . . . . . . . 6279 1 1169 . 1 1 105 105 ALA HB3 H 1 1.268 0.02 . 1 . . . . . . . . 6279 1 1170 . 1 1 105 105 ALA C C 13 176.932 0.05 . 1 . . . . . . . . 6279 1 1171 . 1 1 106 106 CYS N N 15 119.627 0.05 . 1 . . . . . . . . 6279 1 1172 . 1 1 106 106 CYS H H 1 8.949 0.02 . 1 . . . . . . . . 6279 1 1173 . 1 1 106 106 CYS CA C 13 55.57 0.05 . 1 . . . . . . . . 6279 1 1174 . 1 1 106 106 CYS HA H 1 5.477 0.02 . 1 . . . . . . . . 6279 1 1175 . 1 1 106 106 CYS CB C 13 49.007 0.05 . 1 . . . . . . . . 6279 1 1176 . 1 1 106 106 CYS HB2 H 1 2.42 0.02 . 2 . . . . . . . . 6279 1 1177 . 1 1 106 106 CYS HB3 H 1 3.237 0.02 . 2 . . . . . . . . 6279 1 1178 . 1 1 106 106 CYS C C 13 173.703 0.05 . 1 . . . . . . . . 6279 1 1179 . 1 1 107 107 GLU N N 15 122.596 0.05 . 1 . . . . . . . . 6279 1 1180 . 1 1 107 107 GLU H H 1 9.081 0.02 . 1 . . . . . . . . 6279 1 1181 . 1 1 107 107 GLU CA C 13 55.813 0.05 . 1 . . . . . . . . 6279 1 1182 . 1 1 107 107 GLU HA H 1 4.496 0.02 . 1 . . . . . . . . 6279 1 1183 . 1 1 107 107 GLU CB C 13 32.706 0.05 . 1 . . . . . . . . 6279 1 1184 . 1 1 107 107 GLU HB2 H 1 1.985 0.02 . 2 . . . . . . . . 6279 1 1185 . 1 1 107 107 GLU HB3 H 1 1.8 0.02 . 2 . . . . . . . . 6279 1 1186 . 1 1 107 107 GLU CG C 13 36.533 0.05 . 1 . . . . . . . . 6279 1 1187 . 1 1 107 107 GLU HG2 H 1 2.138 0.02 . 1 . . . . . . . . 6279 1 1188 . 1 1 107 107 GLU HG3 H 1 2.138 0.02 . 1 . . . . . . . . 6279 1 1189 . 1 1 107 107 GLU C C 13 175.947 0.05 . 1 . . . . . . . . 6279 1 1190 . 1 1 108 108 ASP N N 15 127.049 0.05 . 1 . . . . . . . . 6279 1 1191 . 1 1 108 108 ASP H H 1 9.272 0.02 . 1 . . . . . . . . 6279 1 1192 . 1 1 108 108 ASP CA C 13 55.435 0.05 . 1 . . . . . . . . 6279 1 1193 . 1 1 108 108 ASP HA H 1 4.26 0.02 . 1 . . . . . . . . 6279 1 1194 . 1 1 108 108 ASP CB C 13 44.945 0.05 . 1 . . . . . . . . 6279 1 1195 . 1 1 108 108 ASP HB2 H 1 3.121 0.02 . 2 . . . . . . . . 6279 1 1196 . 1 1 108 108 ASP HB3 H 1 2.703 0.02 . 2 . . . . . . . . 6279 1 1197 . 1 1 108 108 ASP C C 13 174.909 0.05 . 1 . . . . . . . . 6279 1 1198 . 1 1 109 109 GLY N N 15 101.221 0.05 . 1 . . . . . . . . 6279 1 1199 . 1 1 109 109 GLY H H 1 8.426 0.02 . 1 . . . . . . . . 6279 1 1200 . 1 1 109 109 GLY CA C 13 44.614 0.05 . 1 . . . . . . . . 6279 1 1201 . 1 1 109 109 GLY HA2 H 1 3.785 0.02 . 2 . . . . . . . . 6279 1 1202 . 1 1 109 109 GLY HA3 H 1 3.157 0.02 . 2 . . . . . . . . 6279 1 1203 . 1 1 109 109 GLY C C 13 173.706 0.05 . 1 . . . . . . . . 6279 1 1204 . 1 1 110 110 TRP N N 15 120.221 0.05 . 1 . . . . . . . . 6279 1 1205 . 1 1 110 110 TRP H H 1 7.845 0.02 . 1 . . . . . . . . 6279 1 1206 . 1 1 110 110 TRP CA C 13 53.191 0.05 . 1 . . . . . . . . 6279 1 1207 . 1 1 110 110 TRP HA H 1 4.619 0.02 . 1 . . . . . . . . 6279 1 1208 . 1 1 110 110 TRP CB C 13 29.352 0.05 . 1 . . . . . . . . 6279 1 1209 . 1 1 110 110 TRP HB2 H 1 2.608 0.02 . 2 . . . . . . . . 6279 1 1210 . 1 1 110 110 TRP HB3 H 1 2.933 0.02 . 2 . . . . . . . . 6279 1 1211 . 1 1 110 110 TRP HD1 H 1 7.078 0.02 . 1 . . . . . . . . 6279 1 1212 . 1 1 110 110 TRP NE1 N 15 129.28 0.05 . 1 . . . . . . . . 6279 1 1213 . 1 1 110 110 TRP HE1 H 1 9.964 0.02 . 1 . . . . . . . . 6279 1 1214 . 1 1 110 110 TRP C C 13 174.13 0.05 . 1 . . . . . . . . 6279 1 1215 . 1 1 111 111 PRO CA C 13 62.351 0.05 . 1 . . . . . . . . 6279 1 1216 . 1 1 111 111 PRO HA H 1 4.358 0.02 . 1 . . . . . . . . 6279 1 1217 . 1 1 111 111 PRO CB C 13 31.015 0.05 . 1 . . . . . . . . 6279 1 1218 . 1 1 111 111 PRO HB2 H 1 2.281 0.02 . 2 . . . . . . . . 6279 1 1219 . 1 1 111 111 PRO HB3 H 1 2.148 0.02 . 2 . . . . . . . . 6279 1 1220 . 1 1 111 111 PRO CG C 13 27.743 0.05 . 1 . . . . . . . . 6279 1 1221 . 1 1 111 111 PRO HG2 H 1 1.927 0.02 . 1 . . . . . . . . 6279 1 1222 . 1 1 111 111 PRO HG3 H 1 1.927 0.02 . 1 . . . . . . . . 6279 1 1223 . 1 1 111 111 PRO CD C 13 50.613 0.05 . 1 . . . . . . . . 6279 1 1224 . 1 1 111 111 PRO HD2 H 1 3.655 0.02 . 1 . . . . . . . . 6279 1 1225 . 1 1 111 111 PRO HD3 H 1 3.655 0.02 . 1 . . . . . . . . 6279 1 1226 . 1 1 111 111 PRO C C 13 175.41 0.05 . 1 . . . . . . . . 6279 1 1227 . 1 1 112 112 VAL N N 15 108.346 0.05 . 1 . . . . . . . . 6279 1 1228 . 1 1 112 112 VAL H H 1 8.444 0.02 . 1 . . . . . . . . 6279 1 1229 . 1 1 112 112 VAL CA C 13 60.703 0.05 . 1 . . . . . . . . 6279 1 1230 . 1 1 112 112 VAL HA H 1 4.666 0.02 . 1 . . . . . . . . 6279 1 1231 . 1 1 112 112 VAL CB C 13 34.976 0.05 . 1 . . . . . . . . 6279 1 1232 . 1 1 112 112 VAL HB H 1 2.161 0.02 . 1 . . . . . . . . 6279 1 1233 . 1 1 112 112 VAL CG2 C 13 18.409 0.05 . 2 . . . . . . . . 6279 1 1234 . 1 1 112 112 VAL HG11 H 1 0.842 0.02 . 2 . . . . . . . . 6279 1 1235 . 1 1 112 112 VAL HG12 H 1 0.842 0.02 . 2 . . . . . . . . 6279 1 1236 . 1 1 112 112 VAL HG13 H 1 0.842 0.02 . 2 . . . . . . . . 6279 1 1237 . 1 1 112 112 VAL CG1 C 13 22.98 0.05 . 2 . . . . . . . . 6279 1 1238 . 1 1 112 112 VAL HG21 H 1 0.924 0.02 . 2 . . . . . . . . 6279 1 1239 . 1 1 112 112 VAL HG22 H 1 0.924 0.02 . 2 . . . . . . . . 6279 1 1240 . 1 1 112 112 VAL HG23 H 1 0.924 0.02 . 2 . . . . . . . . 6279 1 1241 . 1 1 112 112 VAL C C 13 176.523 0.05 . 1 . . . . . . . . 6279 1 1242 . 1 1 113 113 HIS N N 15 118.737 0.05 . 1 . . . . . . . . 6279 1 1243 . 1 1 113 113 HIS H H 1 7.494 0.02 . 1 . . . . . . . . 6279 1 1244 . 1 1 113 113 HIS CA C 13 55.381 0.05 . 1 . . . . . . . . 6279 1 1245 . 1 1 113 113 HIS HA H 1 5.471 0.02 . 1 . . . . . . . . 6279 1 1246 . 1 1 113 113 HIS CB C 13 33.401 0.05 . 1 . . . . . . . . 6279 1 1247 . 1 1 113 113 HIS HB2 H 1 3.075 0.02 . 2 . . . . . . . . 6279 1 1248 . 1 1 113 113 HIS HB3 H 1 3.178 0.02 . 2 . . . . . . . . 6279 1 1249 . 1 1 113 113 HIS C C 13 172.731 0.05 . 1 . . . . . . . . 6279 1 1250 . 1 1 114 114 PHE CA C 13 56.615 0.05 . 1 . . . . . . . . 6279 1 1251 . 1 1 114 114 PHE HA H 1 4.925 0.02 . 1 . . . . . . . . 6279 1 1252 . 1 1 114 114 PHE CB C 13 40.725 0.05 . 1 . . . . . . . . 6279 1 1253 . 1 1 114 114 PHE HB2 H 1 3.145 0.02 . 2 . . . . . . . . 6279 1 1254 . 1 1 114 114 PHE HB3 H 1 3.045 0.02 . 2 . . . . . . . . 6279 1 1255 . 1 1 114 114 PHE C C 13 173.43 0.05 . 1 . . . . . . . . 6279 1 1256 . 1 1 115 115 ASP N N 15 125.862 0.05 . 1 . . . . . . . . 6279 1 1257 . 1 1 115 115 ASP H H 1 7.43 0.02 . 1 . . . . . . . . 6279 1 1258 . 1 1 115 115 ASP CA C 13 52.62 0.05 . 1 . . . . . . . . 6279 1 1259 . 1 1 115 115 ASP HA H 1 4.537 0.02 . 1 . . . . . . . . 6279 1 1260 . 1 1 115 115 ASP CB C 13 39.375 0.05 . 1 . . . . . . . . 6279 1 1261 . 1 1 115 115 ASP HB2 H 1 2.412 0.02 . 1 . . . . . . . . 6279 1 1262 . 1 1 115 115 ASP HB3 H 1 2.412 0.02 . 1 . . . . . . . . 6279 1 1263 . 1 1 115 115 ASP C C 13 175.243 0.05 . 1 . . . . . . . . 6279 1 1264 . 1 1 116 116 GLU N N 15 126.456 0.05 . 1 . . . . . . . . 6279 1 1265 . 1 1 116 116 GLU H H 1 8.341 0.02 . 1 . . . . . . . . 6279 1 1266 . 1 1 116 116 GLU CA C 13 56.799 0.05 . 1 . . . . . . . . 6279 1 1267 . 1 1 116 116 GLU HA H 1 4.468 0.02 . 1 . . . . . . . . 6279 1 1268 . 1 1 116 116 GLU CB C 13 28.386 0.05 . 1 . . . . . . . . 6279 1 1269 . 1 1 116 116 GLU HB2 H 1 1.774 0.02 . 1 . . . . . . . . 6279 1 1270 . 1 1 116 116 GLU HB3 H 1 1.774 0.02 . 1 . . . . . . . . 6279 1 1271 . 1 1 116 116 GLU CG C 13 34.465 0.05 . 1 . . . . . . . . 6279 1 1272 . 1 1 116 116 GLU HG2 H 1 2.229 0.02 . 1 . . . . . . . . 6279 1 1273 . 1 1 116 116 GLU HG3 H 1 2.229 0.02 . 1 . . . . . . . . 6279 1 1274 . 1 1 116 116 GLU C C 13 178.619 0.05 . 1 . . . . . . . . 6279 1 1275 . 1 1 117 117 SER N N 15 114.878 0.05 . 1 . . . . . . . . 6279 1 1276 . 1 1 117 117 SER H H 1 8.174 0.02 . 1 . . . . . . . . 6279 1 1277 . 1 1 117 117 SER CA C 13 59.791 0.05 . 1 . . . . . . . . 6279 1 1278 . 1 1 117 117 SER HA H 1 4.242 0.02 . 1 . . . . . . . . 6279 1 1279 . 1 1 117 117 SER CB C 13 63.133 0.05 . 1 . . . . . . . . 6279 1 1280 . 1 1 117 117 SER HB2 H 1 3.907 0.02 . 2 . . . . . . . . 6279 1 1281 . 1 1 117 117 SER HB3 H 1 4.003 0.02 . 2 . . . . . . . . 6279 1 1282 . 1 1 117 117 SER C C 13 174.824 0.05 . 1 . . . . . . . . 6279 1 1283 . 1 1 118 118 PHE N N 15 121.706 0.05 . 1 . . . . . . . . 6279 1 1284 . 1 1 118 118 PHE H H 1 7.097 0.02 . 1 . . . . . . . . 6279 1 1285 . 1 1 118 118 PHE CA C 13 58.837 0.05 . 1 . . . . . . . . 6279 1 1286 . 1 1 118 118 PHE HA H 1 4.258 0.02 . 1 . . . . . . . . 6279 1 1287 . 1 1 118 118 PHE CB C 13 38.909 0.05 . 1 . . . . . . . . 6279 1 1288 . 1 1 118 118 PHE HB2 H 1 2.731 0.02 . 2 . . . . . . . . 6279 1 1289 . 1 1 118 118 PHE HB3 H 1 2.952 0.02 . 2 . . . . . . . . 6279 1 1290 . 1 1 118 118 PHE C C 13 175.126 0.05 . 1 . . . . . . . . 6279 1 1291 . 1 1 119 119 ILE N N 15 118.44 0.05 . 1 . . . . . . . . 6279 1 1292 . 1 1 119 119 ILE H H 1 7.129 0.02 . 1 . . . . . . . . 6279 1 1293 . 1 1 119 119 ILE CA C 13 59.641 0.05 . 1 . . . . . . . . 6279 1 1294 . 1 1 119 119 ILE HA H 1 3.961 0.02 . 1 . . . . . . . . 6279 1 1295 . 1 1 119 119 ILE CB C 13 38.247 0.05 . 1 . . . . . . . . 6279 1 1296 . 1 1 119 119 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 6279 1 1297 . 1 1 119 119 ILE CG1 C 13 27.385 0.05 . 2 . . . . . . . . 6279 1 1298 . 1 1 119 119 ILE HG12 H 1 1.473 0.02 . 1 . . . . . . . . 6279 1 1299 . 1 1 119 119 ILE HG13 H 1 1.249 0.02 . 1 . . . . . . . . 6279 1 1300 . 1 1 119 119 ILE CD1 C 13 12.824 0.05 . 1 . . . . . . . . 6279 1 1301 . 1 1 119 119 ILE HD11 H 1 0.826 0.02 . 1 . . . . . . . . 6279 1 1302 . 1 1 119 119 ILE HD12 H 1 0.826 0.02 . 1 . . . . . . . . 6279 1 1303 . 1 1 119 119 ILE HD13 H 1 0.826 0.02 . 1 . . . . . . . . 6279 1 1304 . 1 1 119 119 ILE CG2 C 13 18.18 0.05 . 2 . . . . . . . . 6279 1 1305 . 1 1 119 119 ILE HG21 H 1 0.826 0.02 . 1 . . . . . . . . 6279 1 1306 . 1 1 119 119 ILE HG22 H 1 0.826 0.02 . 1 . . . . . . . . 6279 1 1307 . 1 1 119 119 ILE HG23 H 1 0.826 0.02 . 1 . . . . . . . . 6279 1 1308 . 1 1 119 119 ILE C C 13 175.02 0.05 . 1 . . . . . . . . 6279 1 1309 . 1 1 120 120 SER N N 15 117.549 0.05 . 1 . . . . . . . . 6279 1 1310 . 1 1 120 120 SER H H 1 7.442 0.02 . 1 . . . . . . . . 6279 1 1311 . 1 1 120 120 SER CA C 13 55.601 0.05 . 1 . . . . . . . . 6279 1 1312 . 1 1 120 120 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 6279 1 1313 . 1 1 120 120 SER CB C 13 63.422 0.05 . 1 . . . . . . . . 6279 1 1314 . 1 1 120 120 SER HB2 H 1 3.748 0.02 . 2 . . . . . . . . 6279 1 1315 . 1 1 120 120 SER HB3 H 1 3.612 0.02 . 2 . . . . . . . . 6279 1 1316 . 1 1 120 120 SER C C 13 171.763 0.05 . 1 . . . . . . . . 6279 1 stop_ save_