data_6973 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6973 _Entry.Title ; human p23(1-119) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-07 _Entry.Accession_date 2006-02-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'chemical shift assignments for p23(1-119) and p23(1-160)' _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 Maria Martinez-Yamout . A. . 6973 2 H. Dyson . Jane . 6973 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6973 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 6973 '15N chemical shifts' 120 6973 '1H chemical shifts' 583 6973 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 2 . . 2013-07-26 2006-02-07 update BMRB 'delete the shifts of 117 MET HE# 17.06' 6973 1 . . 2007-02-07 2006-02-07 original author 'original release' 6973 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6974 'human p23(1-160)' 6973 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6973 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16565516 _Citation.Full_citation . _Citation.Title 'Localization of sites of interaction between p23 and Hsp90 in solution' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 20 _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 14457 _Citation.Page_last 14464 _Citation.Year 2006 _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 Maria Martinez-Yamout . A. . 6973 1 2 Rani Venkitakrishnan . P. . 6973 1 3 Nicholas Preece . E. . 6973 1 4 Gerard Kroon . . . 6973 1 5 Peter Wright . E. . 6973 1 6 H. Dyson . Jane . 6973 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6973 _Assembly.ID 1 _Assembly.Name 'human p23(1-119)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human p23(1-119)' 1 $p23(1-119) . . yes native no no 1 . . 6973 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID co-chaperone 6973 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p23(1-119) _Entity.Sf_category entity _Entity.Sf_framecode p23(1-119) _Entity.Entry_ID 6973 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'p23 co-chaperone, structured domain' _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 ; MQPASAKWYDRRDYVFIEFC VEDSKDVNVNFEKSKLTFSC LGGSDNFKHLNEIDLFHCID PNDSKHKRTDRSILCCLRKG ESGQSWPRLTKERAKLNWLS VDFNNWKDWEDDSDEDMSN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6974 . p23(1-160) . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 2 no PDB 1EJF . "Crystal Structure Of The Human Co-Chaperone P23" . . . . . 100.00 125 100.00 100.00 1.00e-80 . . . . 6973 1 3 no DBJ BAA84684 . "Sid3177p [Mus musculus]" . . . . . 100.00 160 100.00 100.00 5.95e-81 . . . . 6973 1 4 no DBJ BAB25906 . "unnamed protein product [Mus musculus]" . . . . . 100.00 160 99.16 100.00 2.48e-80 . . . . 6973 1 5 no DBJ BAB27080 . "unnamed protein product [Mus musculus]" . . . . . 100.00 140 98.32 99.16 1.17e-79 . . . . 6973 1 6 no DBJ BAC36062 . "unnamed protein product [Mus musculus]" . . . . . 100.00 160 100.00 100.00 5.95e-81 . . . . 6973 1 7 no DBJ BAC36099 . "unnamed protein product [Mus musculus]" . . . . . 100.00 160 100.00 100.00 5.95e-81 . . . . 6973 1 8 no EMBL CAI29639 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 9 no GB AAA18537 . "p23 [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 10 no GB AAD39543 . "telomerase binding protein p23 [Mus musculus]" . . . . . 100.00 160 98.32 98.32 1.99e-78 . . . . 6973 1 11 no GB AAH03005 . "Prostaglandin E synthase 3 (cytosolic) [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 12 no GB AAH03708 . "Prostaglandin E synthase 3 (cytosolic) [Mus musculus]" . . . . . 100.00 160 100.00 100.00 5.95e-81 . . . . 6973 1 13 no GB AAH85264 . "Prostaglandin E synthase 3 (cytosolic) [Mus musculus]" . . . . . 100.00 160 100.00 100.00 5.95e-81 . . . . 6973 1 14 no REF NP_001007807 . "prostaglandin E synthase 3 [Bos taurus]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 15 no REF NP_001124461 . "prostaglandin E synthase 3 [Rattus norvegicus]" . . . . . 100.00 160 100.00 100.00 5.95e-81 . . . . 6973 1 16 no REF NP_001127087 . "prostaglandin E synthase 3 [Pongo abelii]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 17 no REF NP_001233331 . "prostaglandin E synthase 3 [Pan troglodytes]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 18 no REF NP_001248443 . "prostaglandin E synthase 3 [Macaca mulatta]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 19 no SP P83868 . "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES; AltName: Full=Hsp90 c" . . . . . 100.00 160 100.00 100.00 5.95e-81 . . . . 6973 1 20 no SP Q15185 . "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES; AltName: Full=Hsp90 c" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 21 no SP Q3ZBF7 . "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES [Bos taurus]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 22 no SP Q5NVM4 . "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES [Pongo abelii]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 23 no SP Q6PWL5 . "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES [Macaca fascicularis]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 24 no TPG DAA29745 . "TPA: prostaglandin E synthase 3 [Bos taurus]" . . . . . 100.00 160 100.00 100.00 4.78e-81 . . . . 6973 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID co-chaperone 6973 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p23 . 6973 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6973 1 2 . GLN . 6973 1 3 . PRO . 6973 1 4 . ALA . 6973 1 5 . SER . 6973 1 6 . ALA . 6973 1 7 . LYS . 6973 1 8 . TRP . 6973 1 9 . TYR . 6973 1 10 . ASP . 6973 1 11 . ARG . 6973 1 12 . ARG . 6973 1 13 . ASP . 6973 1 14 . TYR . 6973 1 15 . VAL . 6973 1 16 . PHE . 6973 1 17 . ILE . 6973 1 18 . GLU . 6973 1 19 . PHE . 6973 1 20 . CYS . 6973 1 21 . VAL . 6973 1 22 . GLU . 6973 1 23 . ASP . 6973 1 24 . SER . 6973 1 25 . LYS . 6973 1 26 . ASP . 6973 1 27 . VAL . 6973 1 28 . ASN . 6973 1 29 . VAL . 6973 1 30 . ASN . 6973 1 31 . PHE . 6973 1 32 . GLU . 6973 1 33 . LYS . 6973 1 34 . SER . 6973 1 35 . LYS . 6973 1 36 . LEU . 6973 1 37 . THR . 6973 1 38 . PHE . 6973 1 39 . SER . 6973 1 40 . CYS . 6973 1 41 . LEU . 6973 1 42 . GLY . 6973 1 43 . GLY . 6973 1 44 . SER . 6973 1 45 . ASP . 6973 1 46 . ASN . 6973 1 47 . PHE . 6973 1 48 . LYS . 6973 1 49 . HIS . 6973 1 50 . LEU . 6973 1 51 . ASN . 6973 1 52 . GLU . 6973 1 53 . ILE . 6973 1 54 . ASP . 6973 1 55 . LEU . 6973 1 56 . PHE . 6973 1 57 . HIS . 6973 1 58 . CYS . 6973 1 59 . ILE . 6973 1 60 . ASP . 6973 1 61 . PRO . 6973 1 62 . ASN . 6973 1 63 . ASP . 6973 1 64 . SER . 6973 1 65 . LYS . 6973 1 66 . HIS . 6973 1 67 . LYS . 6973 1 68 . ARG . 6973 1 69 . THR . 6973 1 70 . ASP . 6973 1 71 . ARG . 6973 1 72 . SER . 6973 1 73 . ILE . 6973 1 74 . LEU . 6973 1 75 . CYS . 6973 1 76 . CYS . 6973 1 77 . LEU . 6973 1 78 . ARG . 6973 1 79 . LYS . 6973 1 80 . GLY . 6973 1 81 . GLU . 6973 1 82 . SER . 6973 1 83 . GLY . 6973 1 84 . GLN . 6973 1 85 . SER . 6973 1 86 . TRP . 6973 1 87 . PRO . 6973 1 88 . ARG . 6973 1 89 . LEU . 6973 1 90 . THR . 6973 1 91 . LYS . 6973 1 92 . GLU . 6973 1 93 . ARG . 6973 1 94 . ALA . 6973 1 95 . LYS . 6973 1 96 . LEU . 6973 1 97 . ASN . 6973 1 98 . TRP . 6973 1 99 . LEU . 6973 1 100 . SER . 6973 1 101 . VAL . 6973 1 102 . ASP . 6973 1 103 . PHE . 6973 1 104 . ASN . 6973 1 105 . ASN . 6973 1 106 . TRP . 6973 1 107 . LYS . 6973 1 108 . ASP . 6973 1 109 . TRP . 6973 1 110 . GLU . 6973 1 111 . ASP . 6973 1 112 . ASP . 6973 1 113 . SER . 6973 1 114 . ASP . 6973 1 115 . GLU . 6973 1 116 . ASP . 6973 1 117 . MET . 6973 1 118 . SER . 6973 1 119 . ASN . 6973 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 6973 1 . GLN 2 2 6973 1 . PRO 3 3 6973 1 . ALA 4 4 6973 1 . SER 5 5 6973 1 . ALA 6 6 6973 1 . LYS 7 7 6973 1 . TRP 8 8 6973 1 . TYR 9 9 6973 1 . ASP 10 10 6973 1 . ARG 11 11 6973 1 . ARG 12 12 6973 1 . ASP 13 13 6973 1 . TYR 14 14 6973 1 . VAL 15 15 6973 1 . PHE 16 16 6973 1 . ILE 17 17 6973 1 . GLU 18 18 6973 1 . PHE 19 19 6973 1 . CYS 20 20 6973 1 . VAL 21 21 6973 1 . GLU 22 22 6973 1 . ASP 23 23 6973 1 . SER 24 24 6973 1 . LYS 25 25 6973 1 . ASP 26 26 6973 1 . VAL 27 27 6973 1 . ASN 28 28 6973 1 . VAL 29 29 6973 1 . ASN 30 30 6973 1 . PHE 31 31 6973 1 . GLU 32 32 6973 1 . LYS 33 33 6973 1 . SER 34 34 6973 1 . LYS 35 35 6973 1 . LEU 36 36 6973 1 . THR 37 37 6973 1 . PHE 38 38 6973 1 . SER 39 39 6973 1 . CYS 40 40 6973 1 . LEU 41 41 6973 1 . GLY 42 42 6973 1 . GLY 43 43 6973 1 . SER 44 44 6973 1 . ASP 45 45 6973 1 . ASN 46 46 6973 1 . PHE 47 47 6973 1 . LYS 48 48 6973 1 . HIS 49 49 6973 1 . LEU 50 50 6973 1 . ASN 51 51 6973 1 . GLU 52 52 6973 1 . ILE 53 53 6973 1 . ASP 54 54 6973 1 . LEU 55 55 6973 1 . PHE 56 56 6973 1 . HIS 57 57 6973 1 . CYS 58 58 6973 1 . ILE 59 59 6973 1 . ASP 60 60 6973 1 . PRO 61 61 6973 1 . ASN 62 62 6973 1 . ASP 63 63 6973 1 . SER 64 64 6973 1 . LYS 65 65 6973 1 . HIS 66 66 6973 1 . LYS 67 67 6973 1 . ARG 68 68 6973 1 . THR 69 69 6973 1 . ASP 70 70 6973 1 . ARG 71 71 6973 1 . SER 72 72 6973 1 . ILE 73 73 6973 1 . LEU 74 74 6973 1 . CYS 75 75 6973 1 . CYS 76 76 6973 1 . LEU 77 77 6973 1 . ARG 78 78 6973 1 . LYS 79 79 6973 1 . GLY 80 80 6973 1 . GLU 81 81 6973 1 . SER 82 82 6973 1 . GLY 83 83 6973 1 . GLN 84 84 6973 1 . SER 85 85 6973 1 . TRP 86 86 6973 1 . PRO 87 87 6973 1 . ARG 88 88 6973 1 . LEU 89 89 6973 1 . THR 90 90 6973 1 . LYS 91 91 6973 1 . GLU 92 92 6973 1 . ARG 93 93 6973 1 . ALA 94 94 6973 1 . LYS 95 95 6973 1 . LEU 96 96 6973 1 . ASN 97 97 6973 1 . TRP 98 98 6973 1 . LEU 99 99 6973 1 . SER 100 100 6973 1 . VAL 101 101 6973 1 . ASP 102 102 6973 1 . PHE 103 103 6973 1 . ASN 104 104 6973 1 . ASN 105 105 6973 1 . TRP 106 106 6973 1 . LYS 107 107 6973 1 . ASP 108 108 6973 1 . TRP 109 109 6973 1 . GLU 110 110 6973 1 . ASP 111 111 6973 1 . ASP 112 112 6973 1 . SER 113 113 6973 1 . ASP 114 114 6973 1 . GLU 115 115 6973 1 . ASP 116 116 6973 1 . MET 117 117 6973 1 . SER 118 118 6973 1 . ASN 119 119 6973 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 6973 _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 $p23(1-119) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6973 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 6973 _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 $p23(1-119) . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6973 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6973 _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 'p23 co-chaperone, structured domain' '[U-15N; U-13C]' . . 1 $p23(1-119) . protein 3 2.5 3.5 mM 0.5 . . . 6973 1 2 Tris . . . . . . buffer 10 0.9 1.1 mM 0.1 . . . 6973 1 3 KCl . . . . . . salt 50 45 55 mM 5 . . . 6973 1 4 MgCl2 . . . . . . salt 8 7 9 mM 1 . . . 6973 1 5 DTT . . . . . . 'reducing agent' 2 1.5 2.5 mM 0.5 . . . 6973 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6973 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 pH 6973 1 temperature 293 1 K 6973 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6973 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6973 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6973 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6973 _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 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 5 HCA(CO)CANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 6 '3D 15N TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 7 '3D 15N NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6973 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6973 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6973 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6973 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6973 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6973 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6973 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 1 1 MET HA H 1 3.74 0.05 . . . . . . 1 MET HA . 6973 1 2 . 1 1 1 1 MET HB2 H 1 1.89 0.05 . . . . . . 1 MET HB1 . 6973 1 3 . 1 1 1 1 MET HB3 H 1 1.85 0.05 . . . . . . 1 MET HB2 . 6973 1 4 . 1 1 1 1 MET HG2 H 1 2.45 0.05 . . . . . . 1 MET HG1 . 6973 1 5 . 1 1 1 1 MET HE1 H 1 2.04 0.05 . . . . . . 1 MET HE . 6973 1 6 . 1 1 1 1 MET HE2 H 1 2.04 0.05 . . . . . . 1 MET HE . 6973 1 7 . 1 1 1 1 MET HE3 H 1 2.04 0.05 . . . . . . 1 MET HE . 6973 1 8 . 1 1 1 1 MET CB C 13 34.00 0.05 . . . . . . 1 MET CB . 6973 1 9 . 1 1 1 1 MET CG C 13 31.47 0.05 . . . . . . 1 MET CG . 6973 1 10 . 1 1 1 1 MET CE C 13 17.25 0.05 . . . . . . 1 MET CE . 6973 1 11 . 1 1 2 2 GLN HA H 1 4.96 0.05 . . . . . . 2 GLN HA . 6973 1 12 . 1 1 2 2 GLN HB2 H 1 2.17 0.05 . . . . . . 2 GLN HB1 . 6973 1 13 . 1 1 2 2 GLN HB3 H 1 1.99 0.05 . . . . . . 2 GLN HB2 . 6973 1 14 . 1 1 2 2 GLN CA C 13 53.58 0.05 . . . . . . 2 GLN CA . 6973 1 15 . 1 1 2 2 GLN CB C 13 31.00 0.05 . . . . . . 2 GLN CB . 6973 1 16 . 1 1 3 3 PRO HA H 1 4.29 0.05 . . . . . . 3 PRO HA . 6973 1 17 . 1 1 3 3 PRO HB2 H 1 1.25 0.05 . . . . . . 3 PRO HB1 . 6973 1 18 . 1 1 3 3 PRO HB3 H 1 0.76 0.05 . . . . . . 3 PRO HB2 . 6973 1 19 . 1 1 3 3 PRO HG2 H 1 1.97 0.05 . . . . . . 3 PRO HG1 . 6973 1 20 . 1 1 3 3 PRO HG3 H 1 2.03 0.05 . . . . . . 3 PRO HG2 . 6973 1 21 . 1 1 3 3 PRO HD2 H 1 3.80 0.05 . . . . . . 3 PRO HD1 . 6973 1 22 . 1 1 3 3 PRO HD3 H 1 3.77 0.05 . . . . . . 3 PRO HD2 . 6973 1 23 . 1 1 3 3 PRO CA C 13 62.75 0.05 . . . . . . 3 PRO CA . 6973 1 24 . 1 1 3 3 PRO CB C 13 31.21 0.05 . . . . . . 3 PRO CB . 6973 1 25 . 1 1 3 3 PRO CG C 13 28.13 0.05 . . . . . . 3 PRO CG . 6973 1 26 . 1 1 3 3 PRO CD C 13 50.59 0.05 . . . . . . 3 PRO CD . 6973 1 27 . 1 1 4 4 ALA H H 1 9.61 0.05 . . . . . . 4 ALA H . 6973 1 28 . 1 1 4 4 ALA HA H 1 4.15 0.05 . . . . . . 4 ALA HA . 6973 1 29 . 1 1 4 4 ALA HB1 H 1 1.02 0.05 . . . . . . 4 ALA HB . 6973 1 30 . 1 1 4 4 ALA HB2 H 1 1.02 0.05 . . . . . . 4 ALA HB . 6973 1 31 . 1 1 4 4 ALA HB3 H 1 1.02 0.05 . . . . . . 4 ALA HB . 6973 1 32 . 1 1 4 4 ALA C C 13 177.74 0.05 . . . . . . 4 ALA C . 6973 1 33 . 1 1 4 4 ALA CA C 13 51.43 0.05 . . . . . . 4 ALA CA . 6973 1 34 . 1 1 4 4 ALA CB C 13 19.61 0.05 . . . . . . 4 ALA CB . 6973 1 35 . 1 1 4 4 ALA N N 15 127.68 0.05 . . . . . . 4 ALA N . 6973 1 36 . 1 1 5 5 SER H H 1 8.68 0.05 . . . . . . 5 SER H . 6973 1 37 . 1 1 5 5 SER HA H 1 5.29 0.05 . . . . . . 5 SER HA . 6973 1 38 . 1 1 5 5 SER HB2 H 1 4.07 0.05 . . . . . . 5 SER HB1 . 6973 1 39 . 1 1 5 5 SER HB3 H 1 3.94 0.05 . . . . . . 5 SER HB2 . 6973 1 40 . 1 1 5 5 SER C C 13 173.80 0.05 . . . . . . 5 SER C . 6973 1 41 . 1 1 5 5 SER CA C 13 59.57 0.05 . . . . . . 5 SER CA . 6973 1 42 . 1 1 5 5 SER CB C 13 63.81 0.05 . . . . . . 5 SER CB . 6973 1 43 . 1 1 5 5 SER N N 15 115.92 0.05 . . . . . . 5 SER N . 6973 1 44 . 1 1 6 6 ALA H H 1 9.61 0.05 . . . . . . 6 ALA H . 6973 1 45 . 1 1 6 6 ALA HA H 1 5.82 0.05 . . . . . . 6 ALA HA . 6973 1 46 . 1 1 6 6 ALA HB1 H 1 1.21 0.05 . . . . . . 6 ALA HB . 6973 1 47 . 1 1 6 6 ALA HB2 H 1 1.21 0.05 . . . . . . 6 ALA HB . 6973 1 48 . 1 1 6 6 ALA HB3 H 1 1.21 0.05 . . . . . . 6 ALA HB . 6973 1 49 . 1 1 6 6 ALA C C 13 176.42 0.05 . . . . . . 6 ALA C . 6973 1 50 . 1 1 6 6 ALA CA C 13 50.48 0.05 . . . . . . 6 ALA CA . 6973 1 51 . 1 1 6 6 ALA CB C 13 24.82 0.05 . . . . . . 6 ALA CB . 6973 1 52 . 1 1 6 6 ALA N N 15 125.47 0.05 . . . . . . 6 ALA N . 6973 1 53 . 1 1 7 7 LYS H H 1 8.79 0.05 . . . . . . 7 LYS H . 6973 1 54 . 1 1 7 7 LYS HA H 1 6.17 0.05 . . . . . . 7 LYS HA . 6973 1 55 . 1 1 7 7 LYS HB2 H 1 1.64 0.05 . . . . . . 7 LYS HB1 . 6973 1 56 . 1 1 7 7 LYS HB3 H 1 1.71 0.05 . . . . . . 7 LYS HB2 . 6973 1 57 . 1 1 7 7 LYS HG2 H 1 1.43 0.05 . . . . . . 7 LYS HG1 . 6973 1 58 . 1 1 7 7 LYS HG3 H 1 1.39 0.05 . . . . . . 7 LYS HG2 . 6973 1 59 . 1 1 7 7 LYS C C 13 175.62 0.05 . . . . . . 7 LYS C . 6973 1 60 . 1 1 7 7 LYS CA C 13 53.51 0.05 . . . . . . 7 LYS CA . 6973 1 61 . 1 1 7 7 LYS CB C 13 36.37 0.05 . . . . . . 7 LYS CB . 6973 1 62 . 1 1 7 7 LYS N N 15 119.49 0.05 . . . . . . 7 LYS N . 6973 1 63 . 1 1 8 8 TRP H H 1 8.41 0.05 . . . . . . 8 TRP H . 6973 1 64 . 1 1 8 8 TRP HA H 1 6.13 0.05 . . . . . . 8 TRP HA . 6973 1 65 . 1 1 8 8 TRP HB2 H 1 4.00 0.05 . . . . . . 8 TRP HB1 . 6973 1 66 . 1 1 8 8 TRP HB3 H 1 2.76 0.05 . . . . . . 8 TRP HB2 . 6973 1 67 . 1 1 8 8 TRP HE1 H 1 10.27 0.05 . . . . . . 8 TRP HE1 . 6973 1 68 . 1 1 8 8 TRP C C 13 173.55 0.05 . . . . . . 8 TRP C . 6973 1 69 . 1 1 8 8 TRP CA C 13 55.59 0.05 . . . . . . 8 TRP CA . 6973 1 70 . 1 1 8 8 TRP CB C 13 33.60 0.05 . . . . . . 8 TRP CB . 6973 1 71 . 1 1 8 8 TRP N N 15 119.17 0.05 . . . . . . 8 TRP N . 6973 1 72 . 1 1 8 8 TRP NE1 N 15 130.10 0.05 . . . . . . 8 TRP NE . 6973 1 73 . 1 1 9 9 TYR H H 1 9.01 0.05 . . . . . . 9 TYR H . 6973 1 74 . 1 1 9 9 TYR HA H 1 4.29 0.05 . . . . . . 9 TYR HA . 6973 1 75 . 1 1 9 9 TYR HB2 H 1 3.42 0.05 . . . . . . 9 TYR HB1 . 6973 1 76 . 1 1 9 9 TYR HB3 H 1 2.82 0.05 . . . . . . 9 TYR HB2 . 6973 1 77 . 1 1 9 9 TYR C C 13 171.81 0.05 . . . . . . 9 TYR C . 6973 1 78 . 1 1 9 9 TYR CA C 13 57.40 0.05 . . . . . . 9 TYR CA . 6973 1 79 . 1 1 9 9 TYR CB C 13 37.76 0.05 . . . . . . 9 TYR CB . 6973 1 80 . 1 1 9 9 TYR N N 15 113.61 0.05 . . . . . . 9 TYR N . 6973 1 81 . 1 1 10 10 ASP H H 1 7.65 0.05 . . . . . . 10 ASP H . 6973 1 82 . 1 1 10 10 ASP HA H 1 5.38 0.05 . . . . . . 10 ASP HA . 6973 1 83 . 1 1 10 10 ASP HB2 H 1 2.96 0.05 . . . . . . 10 ASP HB1 . 6973 1 84 . 1 1 10 10 ASP HB3 H 1 2.60 0.05 . . . . . . 10 ASP HB2 . 6973 1 85 . 1 1 10 10 ASP C C 13 175.56 0.05 . . . . . . 10 ASP C . 6973 1 86 . 1 1 10 10 ASP CA C 13 53.25 0.05 . . . . . . 10 ASP CA . 6973 1 87 . 1 1 10 10 ASP CB C 13 45.89 0.05 . . . . . . 10 ASP CB . 6973 1 88 . 1 1 10 10 ASP N N 15 118.32 0.05 . . . . . . 10 ASP N . 6973 1 89 . 1 1 11 11 ARG H H 1 8.66 0.05 . . . . . . 11 ARG H . 6973 1 90 . 1 1 11 11 ARG HA H 1 4.10 0.05 . . . . . . 11 ARG HA . 6973 1 91 . 1 1 11 11 ARG HB2 H 1 2.11 0.05 . . . . . . 11 ARG HB1 . 6973 1 92 . 1 1 11 11 ARG HB3 H 1 1.86 0.05 . . . . . . 11 ARG HB2 . 6973 1 93 . 1 1 11 11 ARG C C 13 174.18 0.05 . . . . . . 11 ARG C . 6973 1 94 . 1 1 11 11 ARG CA C 13 52.64 0.05 . . . . . . 11 ARG CA . 6973 1 95 . 1 1 11 11 ARG CB C 13 33.95 0.05 . . . . . . 11 ARG CB . 6973 1 96 . 1 1 11 11 ARG N N 15 124.27 0.05 . . . . . . 11 ARG N . 6973 1 97 . 1 1 12 12 ARG H H 1 7.95 0.05 . . . . . . 12 ARG H . 6973 1 98 . 1 1 12 12 ARG HA H 1 4.78 0.05 . . . . . . 12 ARG HA . 6973 1 99 . 1 1 12 12 ARG HB2 H 1 1.39 0.05 . . . . . . 12 ARG HB1 . 6973 1 100 . 1 1 12 12 ARG CA C 13 60.52 0.05 . . . . . . 12 ARG CA . 6973 1 101 . 1 1 12 12 ARG CB C 13 30.42 0.05 . . . . . . 12 ARG CB . 6973 1 102 . 1 1 12 12 ARG N N 15 121.76 0.05 . . . . . . 12 ARG N . 6973 1 103 . 1 1 13 13 ASP H H 1 8.44 0.05 . . . . . . 13 ASP H . 6973 1 104 . 1 1 13 13 ASP HA H 1 4.76 0.05 . . . . . . 13 ASP HA . 6973 1 105 . 1 1 13 13 ASP HB2 H 1 2.28 0.05 . . . . . . 13 ASP HB1 . 6973 1 106 . 1 1 13 13 ASP C C 13 175.24 0.05 . . . . . . 13 ASP C . 6973 1 107 . 1 1 13 13 ASP CA C 13 54.11 0.05 . . . . . . 13 ASP CA . 6973 1 108 . 1 1 13 13 ASP CB C 13 42.78 0.05 . . . . . . 13 ASP CB . 6973 1 109 . 1 1 13 13 ASP N N 15 110.83 0.05 . . . . . . 13 ASP N . 6973 1 110 . 1 1 14 14 TYR H H 1 6.54 0.05 . . . . . . 14 TYR H . 6973 1 111 . 1 1 14 14 TYR HA H 1 5.28 0.05 . . . . . . 14 TYR HA . 6973 1 112 . 1 1 14 14 TYR HB2 H 1 2.06 0.05 . . . . . . 14 TYR HB1 . 6973 1 113 . 1 1 14 14 TYR HD1 H 1 6.69 0.05 . . . . . . 14 TYR HD1 . 6973 1 114 . 1 1 14 14 TYR C C 13 172.91 0.05 . . . . . . 14 TYR C . 6973 1 115 . 1 1 14 14 TYR CA C 13 56.45 0.05 . . . . . . 14 TYR CA . 6973 1 116 . 1 1 14 14 TYR CB C 13 44.68 0.05 . . . . . . 14 TYR CB . 6973 1 117 . 1 1 14 14 TYR N N 15 115.56 0.05 . . . . . . 14 TYR N . 6973 1 118 . 1 1 15 15 VAL H H 1 8.80 0.05 . . . . . . 15 VAL H . 6973 1 119 . 1 1 15 15 VAL HA H 1 4.14 0.05 . . . . . . 15 VAL HA . 6973 1 120 . 1 1 15 15 VAL HB H 1 1.35 0.05 . . . . . . 15 VAL HB . 6973 1 121 . 1 1 15 15 VAL HG11 H 1 0.73 0.05 . . . . . . 15 VAL HG1 . 6973 1 122 . 1 1 15 15 VAL HG12 H 1 0.73 0.05 . . . . . . 15 VAL HG1 . 6973 1 123 . 1 1 15 15 VAL HG13 H 1 0.73 0.05 . . . . . . 15 VAL HG1 . 6973 1 124 . 1 1 15 15 VAL HG21 H 1 -0.22 0.05 . . . . . . 15 VAL HG2 . 6973 1 125 . 1 1 15 15 VAL HG22 H 1 -0.22 0.05 . . . . . . 15 VAL HG2 . 6973 1 126 . 1 1 15 15 VAL HG23 H 1 -0.22 0.05 . . . . . . 15 VAL HG2 . 6973 1 127 . 1 1 15 15 VAL C C 13 172.94 0.05 . . . . . . 15 VAL C . 6973 1 128 . 1 1 15 15 VAL CA C 13 61.30 0.05 . . . . . . 15 VAL CA . 6973 1 129 . 1 1 15 15 VAL CB C 13 34.21 0.05 . . . . . . 15 VAL CB . 6973 1 130 . 1 1 15 15 VAL CG1 C 13 21.45 0.05 . . . . . . 15 VAL CG1 . 6973 1 131 . 1 1 15 15 VAL CG2 C 13 20.77 0.05 . . . . . . 15 VAL CG2 . 6973 1 132 . 1 1 15 15 VAL N N 15 120.18 0.05 . . . . . . 15 VAL N . 6973 1 133 . 1 1 16 16 PHE H H 1 8.73 0.05 . . . . . . 16 PHE H . 6973 1 134 . 1 1 16 16 PHE HA H 1 5.25 0.05 . . . . . . 16 PHE HA . 6973 1 135 . 1 1 16 16 PHE HB2 H 1 1.24 0.05 . . . . . . 16 PHE HB1 . 6973 1 136 . 1 1 16 16 PHE HB3 H 1 2.36 0.05 . . . . . . 16 PHE HB2 . 6973 1 137 . 1 1 16 16 PHE HD1 H 1 6.63 0.05 . . . . . . 16 PHE HD1 . 6973 1 138 . 1 1 16 16 PHE C C 13 175.05 0.05 . . . . . . 16 PHE C . 6973 1 139 . 1 1 16 16 PHE CA C 13 56.54 0.05 . . . . . . 16 PHE CA . 6973 1 140 . 1 1 16 16 PHE CB C 13 41.01 0.05 . . . . . . 16 PHE CB . 6973 1 141 . 1 1 16 16 PHE N N 15 125.20 0.05 . . . . . . 16 PHE N . 6973 1 142 . 1 1 17 17 ILE H H 1 8.50 0.05 . . . . . . 17 ILE H . 6973 1 143 . 1 1 17 17 ILE HA H 1 4.88 0.05 . . . . . . 17 ILE HA . 6973 1 144 . 1 1 17 17 ILE HB H 1 1.35 0.05 . . . . . . 17 ILE HB . 6973 1 145 . 1 1 17 17 ILE HG12 H 1 1.51 0.05 . . . . . . 17 ILE HG11 . 6973 1 146 . 1 1 17 17 ILE HG13 H 1 0.69 0.05 . . . . . . 17 ILE HG12 . 6973 1 147 . 1 1 17 17 ILE HG21 H 1 0.26 0.05 . . . . . . 17 ILE HG2 . 6973 1 148 . 1 1 17 17 ILE HG22 H 1 0.26 0.05 . . . . . . 17 ILE HG2 . 6973 1 149 . 1 1 17 17 ILE HG23 H 1 0.26 0.05 . . . . . . 17 ILE HG2 . 6973 1 150 . 1 1 17 17 ILE HD11 H 1 0.81 0.05 . . . . . . 17 ILE HD1 . 6973 1 151 . 1 1 17 17 ILE HD12 H 1 0.81 0.05 . . . . . . 17 ILE HD1 . 6973 1 152 . 1 1 17 17 ILE HD13 H 1 0.81 0.05 . . . . . . 17 ILE HD1 . 6973 1 153 . 1 1 17 17 ILE C C 13 173.08 0.05 . . . . . . 17 ILE C . 6973 1 154 . 1 1 17 17 ILE CA C 13 59.91 0.05 . . . . . . 17 ILE CA . 6973 1 155 . 1 1 17 17 ILE CB C 13 42.58 0.05 . . . . . . 17 ILE CB . 6973 1 156 . 1 1 17 17 ILE CG1 C 13 27.34 0.05 . . . . . . 17 ILE CG1 . 6973 1 157 . 1 1 17 17 ILE CG2 C 13 17.34 0.05 . . . . . . 17 ILE CG2 . 6973 1 158 . 1 1 17 17 ILE CD1 C 13 17.07 0.05 . . . . . . 17 ILE CD . 6973 1 159 . 1 1 17 17 ILE N N 15 117.91 0.05 . . . . . . 17 ILE N . 6973 1 160 . 1 1 18 18 GLU H H 1 9.55 0.05 . . . . . . 18 GLU H . 6973 1 161 . 1 1 18 18 GLU HA H 1 5.21 0.05 . . . . . . 18 GLU HA . 6973 1 162 . 1 1 18 18 GLU HB2 H 1 2.16 0.05 . . . . . . 18 GLU HB1 . 6973 1 163 . 1 1 18 18 GLU HB3 H 1 1.79 0.05 . . . . . . 18 GLU HB2 . 6973 1 164 . 1 1 18 18 GLU HG2 H 1 2.28 0.05 . . . . . . 18 GLU HG1 . 6973 1 165 . 1 1 18 18 GLU C C 13 175.38 0.05 . . . . . . 18 GLU C . 6973 1 166 . 1 1 18 18 GLU CA C 13 53.84 0.05 . . . . . . 18 GLU CA . 6973 1 167 . 1 1 18 18 GLU CB C 13 32.41 0.05 . . . . . . 18 GLU CB . 6973 1 168 . 1 1 18 18 GLU N N 15 130.45 0.05 . . . . . . 18 GLU N . 6973 1 169 . 1 1 19 19 PHE H H 1 9.47 0.05 . . . . . . 19 PHE H . 6973 1 170 . 1 1 19 19 PHE HA H 1 4.78 0.05 . . . . . . 19 PHE HA . 6973 1 171 . 1 1 19 19 PHE HB2 H 1 2.45 0.05 . . . . . . 19 PHE HB1 . 6973 1 172 . 1 1 19 19 PHE HB3 H 1 2.13 0.05 . . . . . . 19 PHE HB2 . 6973 1 173 . 1 1 19 19 PHE C C 13 177.04 0.05 . . . . . . 19 PHE C . 6973 1 174 . 1 1 19 19 PHE CA C 13 57.75 0.05 . . . . . . 19 PHE CA . 6973 1 175 . 1 1 19 19 PHE CB C 13 40.18 0.05 . . . . . . 19 PHE CB . 6973 1 176 . 1 1 19 19 PHE N N 15 125.02 0.05 . . . . . . 19 PHE N . 6973 1 177 . 1 1 20 20 CYS H H 1 9.15 0.05 . . . . . . 20 CYS H . 6973 1 178 . 1 1 20 20 CYS HA H 1 4.31 0.05 . . . . . . 20 CYS HA . 6973 1 179 . 1 1 20 20 CYS HB2 H 1 2.95 0.05 . . . . . . 20 CYS HB1 . 6973 1 180 . 1 1 20 20 CYS HB3 H 1 2.83 0.05 . . . . . . 20 CYS HB2 . 6973 1 181 . 1 1 20 20 CYS C C 13 173.83 0.05 . . . . . . 20 CYS C . 6973 1 182 . 1 1 20 20 CYS CA C 13 59.57 0.05 . . . . . . 20 CYS CA . 6973 1 183 . 1 1 20 20 CYS CB C 13 25.38 0.05 . . . . . . 20 CYS CB . 6973 1 184 . 1 1 20 20 CYS N N 15 126.92 0.05 . . . . . . 20 CYS N . 6973 1 185 . 1 1 21 21 VAL H H 1 7.20 0.05 . . . . . . 21 VAL H . 6973 1 186 . 1 1 21 21 VAL HA H 1 4.20 0.05 . . . . . . 21 VAL HA . 6973 1 187 . 1 1 21 21 VAL HB H 1 1.77 0.05 . . . . . . 21 VAL HB . 6973 1 188 . 1 1 21 21 VAL HG11 H 1 0.80 0.05 . . . . . . 21 VAL HG1 . 6973 1 189 . 1 1 21 21 VAL HG12 H 1 0.80 0.05 . . . . . . 21 VAL HG1 . 6973 1 190 . 1 1 21 21 VAL HG13 H 1 0.80 0.05 . . . . . . 21 VAL HG1 . 6973 1 191 . 1 1 21 21 VAL C C 13 173.80 0.05 . . . . . . 21 VAL C . 6973 1 192 . 1 1 21 21 VAL CA C 13 60.95 0.05 . . . . . . 21 VAL CA . 6973 1 193 . 1 1 21 21 VAL CB C 13 34.29 0.05 . . . . . . 21 VAL CB . 6973 1 194 . 1 1 21 21 VAL CG1 C 13 21.56 0.05 . . . . . . 21 VAL CG1 . 6973 1 195 . 1 1 21 21 VAL N N 15 123.63 0.05 . . . . . . 21 VAL N . 6973 1 196 . 1 1 22 22 GLU H H 1 8.73 0.05 . . . . . . 22 GLU H . 6973 1 197 . 1 1 22 22 GLU HA H 1 4.41 0.05 . . . . . . 22 GLU HA . 6973 1 198 . 1 1 22 22 GLU HB2 H 1 2.05 0.05 . . . . . . 22 GLU HB1 . 6973 1 199 . 1 1 22 22 GLU HB3 H 1 1.98 0.05 . . . . . . 22 GLU HB2 . 6973 1 200 . 1 1 22 22 GLU HG2 H 1 2.38 0.05 . . . . . . 22 GLU HG1 . 6973 1 201 . 1 1 22 22 GLU C C 13 176.58 0.05 . . . . . . 22 GLU C . 6973 1 202 . 1 1 22 22 GLU CA C 13 55.50 0.05 . . . . . . 22 GLU CA . 6973 1 203 . 1 1 22 22 GLU CB C 13 30.40 0.05 . . . . . . 22 GLU CB . 6973 1 204 . 1 1 22 22 GLU CG C 13 36.85 0.05 . . . . . . 22 GLU CG . 6973 1 205 . 1 1 22 22 GLU N N 15 127.59 0.05 . . . . . . 22 GLU N . 6973 1 206 . 1 1 23 23 ASP H H 1 9.29 0.05 . . . . . . 23 ASP H . 6973 1 207 . 1 1 23 23 ASP HA H 1 4.24 0.05 . . . . . . 23 ASP HA . 6973 1 208 . 1 1 23 23 ASP HB2 H 1 2.87 0.05 . . . . . . 23 ASP HB1 . 6973 1 209 . 1 1 23 23 ASP HB3 H 1 2.50 0.05 . . . . . . 23 ASP HB2 . 6973 1 210 . 1 1 23 23 ASP C C 13 175.83 0.05 . . . . . . 23 ASP C . 6973 1 211 . 1 1 23 23 ASP CA C 13 55.41 0.05 . . . . . . 23 ASP CA . 6973 1 212 . 1 1 23 23 ASP CB C 13 39.31 0.05 . . . . . . 23 ASP CB . 6973 1 213 . 1 1 23 23 ASP N N 15 120.59 0.05 . . . . . . 23 ASP N . 6973 1 214 . 1 1 24 24 SER H H 1 8.29 0.05 . . . . . . 24 SER H . 6973 1 215 . 1 1 24 24 SER HA H 1 4.62 0.05 . . . . . . 24 SER HA . 6973 1 216 . 1 1 24 24 SER HB2 H 1 3.69 0.05 . . . . . . 24 SER HB1 . 6973 1 217 . 1 1 24 24 SER HB3 H 1 3.75 0.05 . . . . . . 24 SER HB2 . 6973 1 218 . 1 1 24 24 SER C C 13 175.86 0.05 . . . . . . 24 SER C . 6973 1 219 . 1 1 24 24 SER CA C 13 59.57 0.05 . . . . . . 24 SER CA . 6973 1 220 . 1 1 24 24 SER CB C 13 65.28 0.05 . . . . . . 24 SER CB . 6973 1 221 . 1 1 24 24 SER N N 15 112.37 0.05 . . . . . . 24 SER N . 6973 1 222 . 1 1 25 25 LYS H H 1 9.07 0.05 . . . . . . 25 LYS H . 6973 1 223 . 1 1 25 25 LYS HA H 1 4.70 0.05 . . . . . . 25 LYS HA . 6973 1 224 . 1 1 25 25 LYS HB2 H 1 1.63 0.05 . . . . . . 25 LYS HB1 . 6973 1 225 . 1 1 25 25 LYS HB3 H 1 1.86 0.05 . . . . . . 25 LYS HB2 . 6973 1 226 . 1 1 25 25 LYS HG2 H 1 1.49 0.05 . . . . . . 25 LYS HG1 . 6973 1 227 . 1 1 25 25 LYS HG3 H 1 1.71 0.05 . . . . . . 25 LYS HG2 . 6973 1 228 . 1 1 25 25 LYS C C 13 174.34 0.05 . . . . . . 25 LYS C . 6973 1 229 . 1 1 25 25 LYS CA C 13 54.55 0.05 . . . . . . 25 LYS CA . 6973 1 230 . 1 1 25 25 LYS CB C 13 36.00 0.05 . . . . . . 25 LYS CB . 6973 1 231 . 1 1 25 25 LYS N N 15 119.33 0.05 . . . . . . 25 LYS N . 6973 1 232 . 1 1 26 26 ASP H H 1 8.91 0.05 . . . . . . 26 ASP H . 6973 1 233 . 1 1 26 26 ASP HA H 1 4.15 0.05 . . . . . . 26 ASP HA . 6973 1 234 . 1 1 26 26 ASP HB2 H 1 2.79 0.05 . . . . . . 26 ASP HB1 . 6973 1 235 . 1 1 26 26 ASP HB3 H 1 2.45 0.05 . . . . . . 26 ASP HB2 . 6973 1 236 . 1 1 26 26 ASP C C 13 174.62 0.05 . . . . . . 26 ASP C . 6973 1 237 . 1 1 26 26 ASP CA C 13 54.72 0.05 . . . . . . 26 ASP CA . 6973 1 238 . 1 1 26 26 ASP CB C 13 38.54 0.05 . . . . . . 26 ASP CB . 6973 1 239 . 1 1 26 26 ASP N N 15 121.03 0.05 . . . . . . 26 ASP N . 6973 1 240 . 1 1 27 27 VAL H H 1 8.11 0.05 . . . . . . 27 VAL H . 6973 1 241 . 1 1 27 27 VAL HA H 1 3.75 0.05 . . . . . . 27 VAL HA . 6973 1 242 . 1 1 27 27 VAL HB H 1 2.05 0.05 . . . . . . 27 VAL HB1 . 6973 1 243 . 1 1 27 27 VAL HG11 H 1 0.92 0.05 . . . . . . 27 VAL HG1 . 6973 1 244 . 1 1 27 27 VAL HG12 H 1 0.92 0.05 . . . . . . 27 VAL HG1 . 6973 1 245 . 1 1 27 27 VAL HG13 H 1 0.92 0.05 . . . . . . 27 VAL HG1 . 6973 1 246 . 1 1 27 27 VAL HG21 H 1 0.75 0.05 . . . . . . 27 VAL HG2 . 6973 1 247 . 1 1 27 27 VAL HG22 H 1 0.75 0.05 . . . . . . 27 VAL HG2 . 6973 1 248 . 1 1 27 27 VAL HG23 H 1 0.75 0.05 . . . . . . 27 VAL HG2 . 6973 1 249 . 1 1 27 27 VAL C C 13 176.67 0.05 . . . . . . 27 VAL C . 6973 1 250 . 1 1 27 27 VAL CA C 13 63.64 0.05 . . . . . . 27 VAL CA . 6973 1 251 . 1 1 27 27 VAL CB C 13 31.27 0.05 . . . . . . 27 VAL CB . 6973 1 252 . 1 1 27 27 VAL CG1 C 13 22.87 0.05 . . . . . . 27 VAL CG1 . 6973 1 253 . 1 1 27 27 VAL CG2 C 13 22.16 0.05 . . . . . . 27 VAL CG2 . 6973 1 254 . 1 1 27 27 VAL N N 15 117.68 0.05 . . . . . . 27 VAL N . 6973 1 255 . 1 1 28 28 ASN H H 1 8.89 0.05 . . . . . . 28 ASN H . 6973 1 256 . 1 1 28 28 ASN HA H 1 4.79 0.05 . . . . . . 28 ASN HA . 6973 1 257 . 1 1 28 28 ASN HB2 H 1 2.45 0.05 . . . . . . 28 ASN HB . 6973 1 258 . 1 1 28 28 ASN HB3 H 1 2.39 0.05 . . . . . . 28 ASN HB2 . 6973 1 259 . 1 1 28 28 ASN C C 13 172.96 0.05 . . . . . . 28 ASN C . 6973 1 260 . 1 1 28 28 ASN CA C 13 52.64 0.05 . . . . . . 28 ASN CA . 6973 1 261 . 1 1 28 28 ASN CB C 13 41.48 0.05 . . . . . . 28 ASN CB . 6973 1 262 . 1 1 28 28 ASN N N 15 128.52 0.05 . . . . . . 28 ASN N . 6973 1 263 . 1 1 29 29 VAL H H 1 8.24 0.05 . . . . . . 29 VAL H . 6973 1 264 . 1 1 29 29 VAL HA H 1 4.42 0.05 . . . . . . 29 VAL HA . 6973 1 265 . 1 1 29 29 VAL HB H 1 1.17 0.05 . . . . . . 29 VAL HB . 6973 1 266 . 1 1 29 29 VAL HG11 H 1 0.34 0.05 . . . . . . 29 VAL HG1 . 6973 1 267 . 1 1 29 29 VAL HG12 H 1 0.34 0.05 . . . . . . 29 VAL HG1 . 6973 1 268 . 1 1 29 29 VAL HG13 H 1 0.34 0.05 . . . . . . 29 VAL HG1 . 6973 1 269 . 1 1 29 29 VAL HG21 H 1 0.16 0.05 . . . . . . 29 VAL HG2 . 6973 1 270 . 1 1 29 29 VAL HG22 H 1 0.16 0.05 . . . . . . 29 VAL HG2 . 6973 1 271 . 1 1 29 29 VAL HG23 H 1 0.16 0.05 . . . . . . 29 VAL HG2 . 6973 1 272 . 1 1 29 29 VAL C C 13 173.75 0.05 . . . . . . 29 VAL C . 6973 1 273 . 1 1 29 29 VAL CA C 13 60.95 0.05 . . . . . . 29 VAL CA . 6973 1 274 . 1 1 29 29 VAL CB C 13 33.34 0.05 . . . . . . 29 VAL CB . 6973 1 275 . 1 1 29 29 VAL CG1 C 13 20.96 0.05 . . . . . . 29 VAL CG . 6973 1 276 . 1 1 29 29 VAL CG2 C 13 22.66 0.05 . . . . . . 29 VAL CG2 . 6973 1 277 . 1 1 29 29 VAL N N 15 124.07 0.05 . . . . . . 29 VAL N . 6973 1 278 . 1 1 30 30 ASN H H 1 8.76 0.05 . . . . . . 30 ASN H . 6973 1 279 . 1 1 30 30 ASN HA H 1 4.92 0.05 . . . . . . 30 ASN HA . 6973 1 280 . 1 1 30 30 ASN HB2 H 1 2.76 0.05 . . . . . . 30 ASN HB1 . 6973 1 281 . 1 1 30 30 ASN HB3 H 1 2.50 0.05 . . . . . . 30 ASN HB2 . 6973 1 282 . 1 1 30 30 ASN C C 13 174.22 0.05 . . . . . . 30 ASN C . 6973 1 283 . 1 1 30 30 ASN CA C 13 51.78 0.05 . . . . . . 30 ASN CA . 6973 1 284 . 1 1 30 30 ASN CB C 13 40.87 0.05 . . . . . . 30 ASN CB . 6973 1 285 . 1 1 30 30 ASN N N 15 125.17 0.05 . . . . . . 30 ASN N . 6973 1 286 . 1 1 31 31 PHE H H 1 8.96 0.05 . . . . . . 31 PHE H . 6973 1 287 . 1 1 31 31 PHE HA H 1 5.02 0.05 . . . . . . 31 PHE HA . 6973 1 288 . 1 1 31 31 PHE HB2 H 1 3.20 0.05 . . . . . . 31 PHE HB1 . 6973 1 289 . 1 1 31 31 PHE HB3 H 1 2.92 0.05 . . . . . . 31 PHE HB2 . 6973 1 290 . 1 1 31 31 PHE C C 13 174.17 0.05 . . . . . . 31 PHE C . 6973 1 291 . 1 1 31 31 PHE CA C 13 56.80 0.05 . . . . . . 31 PHE CA . 6973 1 292 . 1 1 31 31 PHE CB C 13 40.35 0.05 . . . . . . 31 PHE CB . 6973 1 293 . 1 1 31 31 PHE N N 15 124.87 0.05 . . . . . . 31 PHE N . 6973 1 294 . 1 1 32 32 GLU H H 1 8.77 0.05 . . . . . . 32 GLU H . 6973 1 295 . 1 1 32 32 GLU HA H 1 4.70 0.05 . . . . . . 32 GLU HA . 6973 1 296 . 1 1 32 32 GLU HB2 H 1 2.09 0.05 . . . . . . 32 GLU HB1 . 6973 1 297 . 1 1 32 32 GLU C C 13 174.92 0.05 . . . . . . 32 GLU C . 6973 1 298 . 1 1 32 32 GLU CA C 13 54.63 0.05 . . . . . . 32 GLU CA . 6973 1 299 . 1 1 32 32 GLU CB C 13 33.17 0.05 . . . . . . 32 GLU CB . 6973 1 300 . 1 1 32 32 GLU N N 15 122.86 0.05 . . . . . . 32 GLU N . 6973 1 301 . 1 1 33 33 LYS H H 1 8.59 0.05 . . . . . . 33 LYS H . 6973 1 302 . 1 1 33 33 LYS HA H 1 4.18 0.05 . . . . . . 33 LYS HA . 6973 1 303 . 1 1 33 33 LYS HB2 H 1 2.00 0.05 . . . . . . 33 LYS HB1 . 6973 1 304 . 1 1 33 33 LYS HB3 H 1 1.93 0.05 . . . . . . 33 LYS HB2 . 6973 1 305 . 1 1 33 33 LYS C C 13 176.62 0.05 . . . . . . 33 LYS C . 6973 1 306 . 1 1 33 33 LYS CA C 13 59.57 0.05 . . . . . . 33 LYS CA . 6973 1 307 . 1 1 33 33 LYS CB C 13 32.13 0.05 . . . . . . 33 LYS CB . 6973 1 308 . 1 1 33 33 LYS N N 15 117.34 0.05 . . . . . . 33 LYS N . 6973 1 309 . 1 1 34 34 SER H H 1 8.11 0.05 . . . . . . 34 SER H . 6973 1 310 . 1 1 34 34 SER HA H 1 4.90 0.05 . . . . . . 34 SER HA . 6973 1 311 . 1 1 34 34 SER HB2 H 1 3.88 0.05 . . . . . . 34 SER HB1 . 6973 1 312 . 1 1 34 34 SER HB3 H 1 3.95 0.05 . . . . . . 34 SER HB2 . 6973 1 313 . 1 1 34 34 SER C C 13 174.55 0.05 . . . . . . 34 SER C . 6973 1 314 . 1 1 34 34 SER CA C 13 56.80 0.05 . . . . . . 34 SER CA . 6973 1 315 . 1 1 34 34 SER CB C 13 64.85 0.05 . . . . . . 34 SER CB . 6973 1 316 . 1 1 34 34 SER N N 15 105.67 0.05 . . . . . . 34 SER N . 6973 1 317 . 1 1 35 35 LYS H H 1 7.48 0.05 . . . . . . 35 LYS H . 6973 1 318 . 1 1 35 35 LYS HA H 1 5.43 0.05 . . . . . . 35 LYS HA . 6973 1 319 . 1 1 35 35 LYS HB2 H 1 1.75 0.05 . . . . . . 35 LYS HB1 . 6973 1 320 . 1 1 35 35 LYS HB3 H 1 1.73 0.05 . . . . . . 35 LYS HB2 . 6973 1 321 . 1 1 35 35 LYS HG2 H 1 1.30 0.05 . . . . . . 35 LYS HG1 . 6973 1 322 . 1 1 35 35 LYS HG3 H 1 1.26 0.05 . . . . . . 35 LYS HG2 . 6973 1 323 . 1 1 35 35 LYS C C 13 172.45 0.05 . . . . . . 35 LYS C . 6973 1 324 . 1 1 35 35 LYS CA C 13 55.76 0.05 . . . . . . 35 LYS CA . 6973 1 325 . 1 1 35 35 LYS CB C 13 37.32 0.05 . . . . . . 35 LYS CB . 6973 1 326 . 1 1 35 35 LYS N N 15 123.67 0.05 . . . . . . 35 LYS N . 6973 1 327 . 1 1 36 36 LEU H H 1 8.79 0.05 . . . . . . 36 LEU H . 6973 1 328 . 1 1 36 36 LEU HA H 1 5.28 0.05 . . . . . . 36 LEU HA . 6973 1 329 . 1 1 36 36 LEU HB2 H 1 1.83 0.05 . . . . . . 36 LEU HB1 . 6973 1 330 . 1 1 36 36 LEU HB3 H 1 1.66 0.05 . . . . . . 36 LEU HB2 . 6973 1 331 . 1 1 36 36 LEU C C 13 172.44 0.05 . . . . . . 36 LEU C . 6973 1 332 . 1 1 36 36 LEU CA C 13 53.77 0.05 . . . . . . 36 LEU CA . 6973 1 333 . 1 1 36 36 LEU CB C 13 46.84 0.05 . . . . . . 36 LEU CB . 6973 1 334 . 1 1 36 36 LEU N N 15 124.69 0.05 . . . . . . 36 LEU N . 6973 1 335 . 1 1 37 37 THR H H 1 8.40 0.05 . . . . . . 37 THR H . 6973 1 336 . 1 1 37 37 THR HA H 1 5.09 0.05 . . . . . . 37 THR HA . 6973 1 337 . 1 1 37 37 THR HB H 1 3.90 0.05 . . . . . . 37 THR HB . 6973 1 338 . 1 1 37 37 THR HG21 H 1 1.09 0.05 . . . . . . 37 THR HG . 6973 1 339 . 1 1 37 37 THR HG22 H 1 1.09 0.05 . . . . . . 37 THR HG . 6973 1 340 . 1 1 37 37 THR HG23 H 1 1.09 0.05 . . . . . . 37 THR HG . 6973 1 341 . 1 1 37 37 THR C C 13 174.90 0.05 . . . . . . 37 THR C . 6973 1 342 . 1 1 37 37 THR CA C 13 62.38 0.05 . . . . . . 37 THR CA . 6973 1 343 . 1 1 37 37 THR CB C 13 70.39 0.05 . . . . . . 37 THR CB . 6973 1 344 . 1 1 37 37 THR CG2 C 13 21.41 0.05 . . . . . . 37 THR CG . 6973 1 345 . 1 1 37 37 THR N N 15 121.09 0.05 . . . . . . 37 THR N . 6973 1 346 . 1 1 38 38 PHE H H 1 9.09 0.05 . . . . . . 38 PHE H . 6973 1 347 . 1 1 38 38 PHE HA H 1 5.02 0.05 . . . . . . 38 PHE HA . 6973 1 348 . 1 1 38 38 PHE HB2 H 1 2.03 0.05 . . . . . . 38 PHE HB1 . 6973 1 349 . 1 1 38 38 PHE HB3 H 1 2.29 0.05 . . . . . . 38 PHE HB2 . 6973 1 350 . 1 1 38 38 PHE HD1 H 1 6.45 0.05 . . . . . . 38 PHE HD1 . 6973 1 351 . 1 1 38 38 PHE C C 13 172.08 0.05 . . . . . . 38 PHE C . 6973 1 352 . 1 1 38 38 PHE CA C 13 55.33 0.05 . . . . . . 38 PHE CA . 6973 1 353 . 1 1 38 38 PHE CB C 13 43.30 0.05 . . . . . . 38 PHE CB . 6973 1 354 . 1 1 38 38 PHE N N 15 129.49 0.05 . . . . . . 38 PHE N . 6973 1 355 . 1 1 39 39 SER H H 1 8.07 0.05 . . . . . . 39 SER H . 6973 1 356 . 1 1 39 39 SER HA H 1 4.58 0.05 . . . . . . 39 SER HA . 6973 1 357 . 1 1 39 39 SER HB2 H 1 3.83 0.05 . . . . . . 39 SER HB1 . 6973 1 358 . 1 1 39 39 SER HB3 H 1 3.64 0.05 . . . . . . 39 SER HB2 . 6973 1 359 . 1 1 39 39 SER C C 13 171.98 0.05 . . . . . . 39 SER C . 6973 1 360 . 1 1 39 39 SER CA C 13 56.54 0.05 . . . . . . 39 SER CA . 6973 1 361 . 1 1 39 39 SER CB C 13 66.49 0.05 . . . . . . 39 SER CB . 6973 1 362 . 1 1 39 39 SER N N 15 119.82 0.05 . . . . . . 39 SER N . 6973 1 363 . 1 1 40 40 CYS H H 1 7.90 0.05 . . . . . . 40 CYS H . 6973 1 364 . 1 1 40 40 CYS HA H 1 4.81 0.05 . . . . . . 40 CYS HA . 6973 1 365 . 1 1 40 40 CYS HB2 H 1 2.82 0.05 . . . . . . 40 CYS HB1 . 6973 1 366 . 1 1 40 40 CYS HB3 H 1 3.10 0.05 . . . . . . 40 CYS HB2 . 6973 1 367 . 1 1 40 40 CYS C C 13 171.62 0.05 . . . . . . 40 CYS C . 6973 1 368 . 1 1 40 40 CYS CA C 13 56.71 0.05 . . . . . . 40 CYS CA . 6973 1 369 . 1 1 40 40 CYS CB C 13 29.71 0.05 . . . . . . 40 CYS CB . 6973 1 370 . 1 1 40 40 CYS N N 15 111.14 0.05 . . . . . . 40 CYS N . 6973 1 371 . 1 1 41 41 LEU H H 1 8.63 0.05 . . . . . . 41 LEU H . 6973 1 372 . 1 1 41 41 LEU HA H 1 5.32 0.05 . . . . . . 41 LEU HA . 6973 1 373 . 1 1 41 41 LEU HB2 H 1 1.53 0.05 . . . . . . 41 LEU HB1 . 6973 1 374 . 1 1 41 41 LEU HB3 H 1 1.24 0.05 . . . . . . 41 LEU HB2 . 6973 1 375 . 1 1 41 41 LEU C C 13 177.85 0.05 . . . . . . 41 LEU C . 6973 1 376 . 1 1 41 41 LEU CA C 13 53.16 0.05 . . . . . . 41 LEU CA . 6973 1 377 . 1 1 41 41 LEU CB C 13 44.25 0.05 . . . . . . 41 LEU CB . 6973 1 378 . 1 1 41 41 LEU N N 15 118.56 0.05 . . . . . . 41 LEU N . 6973 1 379 . 1 1 42 42 GLY H H 1 9.39 0.05 . . . . . . 42 GLY H . 6973 1 380 . 1 1 42 42 GLY HA2 H 1 4.26 0.05 . . . . . . 42 GLY HA1 . 6973 1 381 . 1 1 42 42 GLY HA3 H 1 3.95 0.05 . . . . . . 42 GLY HA2 . 6973 1 382 . 1 1 42 42 GLY C C 13 173.93 0.05 . . . . . . 42 GLY C . 6973 1 383 . 1 1 42 42 GLY CA C 13 45.67 0.05 . . . . . . 42 GLY CA . 6973 1 384 . 1 1 42 42 GLY N N 15 109.31 0.05 . . . . . . 42 GLY N . 6973 1 385 . 1 1 43 43 GLY H H 1 7.99 0.05 . . . . . . 43 GLY H . 6973 1 386 . 1 1 43 43 GLY HA2 H 1 4.34 0.05 . . . . . . 43 GLY HA1 . 6973 1 387 . 1 1 43 43 GLY HA3 H 1 3.96 0.05 . . . . . . 43 GLY HA2 . 6973 1 388 . 1 1 43 43 GLY C C 13 175.24 0.05 . . . . . . 43 GLY C . 6973 1 389 . 1 1 43 43 GLY CA C 13 46.17 0.05 . . . . . . 43 GLY CA . 6973 1 390 . 1 1 43 43 GLY N N 15 108.74 0.05 . . . . . . 43 GLY N . 6973 1 391 . 1 1 44 44 SER H H 1 8.54 0.05 . . . . . . 44 SER H . 6973 1 392 . 1 1 44 44 SER HA H 1 4.30 0.05 . . . . . . 44 SER HA . 6973 1 393 . 1 1 44 44 SER HB2 H 1 3.91 0.05 . . . . . . 44 SER HB1 . 6973 1 394 . 1 1 44 44 SER HB3 H 1 3.88 0.05 . . . . . . 44 SER HB2 . 6973 1 395 . 1 1 44 44 SER CA C 13 60.37 0.05 . . . . . . 44 SER CA . 6973 1 396 . 1 1 44 44 SER CB C 13 63.46 0.05 . . . . . . 44 SER CB . 6973 1 397 . 1 1 44 44 SER N N 15 114.91 0.05 . . . . . . 44 SER N . 6973 1 398 . 1 1 45 45 ASP H H 1 8.17 0.05 . . . . . . 45 ASP H . 6973 1 399 . 1 1 45 45 ASP HA H 1 4.55 0.05 . . . . . . 45 ASP HA . 6973 1 400 . 1 1 45 45 ASP HB2 H 1 2.45 0.05 . . . . . . 45 ASP HB1 . 6973 1 401 . 1 1 45 45 ASP HB3 H 1 2.39 0.05 . . . . . . 45 ASP HB2 . 6973 1 402 . 1 1 45 45 ASP C C 13 175.45 0.05 . . . . . . 45 ASP C . 6973 1 403 . 1 1 45 45 ASP CA C 13 53.77 0.05 . . . . . . 45 ASP CA . 6973 1 404 . 1 1 45 45 ASP CB C 13 40.53 0.05 . . . . . . 45 ASP CB . 6973 1 405 . 1 1 45 45 ASP N N 15 118.23 0.05 . . . . . . 45 ASP N . 6973 1 406 . 1 1 46 46 ASN H H 1 7.93 0.05 . . . . . . 46 ASN H . 6973 1 407 . 1 1 46 46 ASN HA H 1 4.16 0.05 . . . . . . 46 ASN HA . 6973 1 408 . 1 1 46 46 ASN HB2 H 1 2.80 0.05 . . . . . . 46 ASN HB1 . 6973 1 409 . 1 1 46 46 ASN HD21 H 1 7.98 0.05 . . . . . . 46 ASN HD1 . 6973 1 410 . 1 1 46 46 ASN HD22 H 1 7.98 0.05 . . . . . . 46 ASN HD1 . 6973 1 411 . 1 1 46 46 ASN C C 13 174.03 0.05 . . . . . . 46 ASN C . 6973 1 412 . 1 1 46 46 ASN CA C 13 54.11 0.05 . . . . . . 46 ASN CA . 6973 1 413 . 1 1 46 46 ASN CB C 13 36.98 0.05 . . . . . . 46 ASN CB . 6973 1 414 . 1 1 46 46 ASN N N 15 116.21 0.05 . . . . . . 46 ASN N . 6973 1 415 . 1 1 46 46 ASN ND2 N 15 118.73 0.05 . . . . . . 46 ASN ND1 . 6973 1 416 . 1 1 47 47 PHE H H 1 8.09 0.05 . . . . . . 47 PHE H . 6973 1 417 . 1 1 47 47 PHE HA H 1 4.46 0.05 . . . . . . 47 PHE HA . 6973 1 418 . 1 1 47 47 PHE HB2 H 1 2.86 0.05 . . . . . . 47 PHE HB1 . 6973 1 419 . 1 1 47 47 PHE HB3 H 1 2.76 0.05 . . . . . . 47 PHE HB2 . 6973 1 420 . 1 1 47 47 PHE C C 13 175.73 0.05 . . . . . . 47 PHE C . 6973 1 421 . 1 1 47 47 PHE CA C 13 57.75 0.05 . . . . . . 47 PHE CA . 6973 1 422 . 1 1 47 47 PHE CB C 13 39.40 0.05 . . . . . . 47 PHE CB . 6973 1 423 . 1 1 47 47 PHE N N 15 119.17 0.05 . . . . . . 47 PHE N . 6973 1 424 . 1 1 48 48 LYS H H 1 8.31 0.05 . . . . . . 48 LYS H . 6973 1 425 . 1 1 48 48 LYS HA H 1 4.53 0.05 . . . . . . 48 LYS HA . 6973 1 426 . 1 1 48 48 LYS HB2 H 1 1.57 0.05 . . . . . . 48 LYS HB1 . 6973 1 427 . 1 1 48 48 LYS HB3 H 1 1.73 0.05 . . . . . . 48 LYS HB2 . 6973 1 428 . 1 1 48 48 LYS HG2 H 1 1.39 0.05 . . . . . . 48 LYS HG1 . 6973 1 429 . 1 1 48 48 LYS HG3 H 1 1.24 0.05 . . . . . . 48 LYS HG2 . 6973 1 430 . 1 1 48 48 LYS C C 13 175.97 0.05 . . . . . . 48 LYS C . 6973 1 431 . 1 1 48 48 LYS CA C 13 56.60 0.05 . . . . . . 48 LYS CA . 6973 1 432 . 1 1 48 48 LYS CB C 13 33.36 0.05 . . . . . . 48 LYS CB . 6973 1 433 . 1 1 48 48 LYS N N 15 123.57 0.05 . . . . . . 48 LYS N . 6973 1 434 . 1 1 49 49 HIS H H 1 8.87 0.05 . . . . . . 49 HIS H . 6973 1 435 . 1 1 49 49 HIS HA H 1 3.63 0.05 . . . . . . 49 HIS HA . 6973 1 436 . 1 1 49 49 HIS HB2 H 1 3.15 0.05 . . . . . . 49 HIS HB1 . 6973 1 437 . 1 1 49 49 HIS HB3 H 1 2.89 0.05 . . . . . . 49 HIS HB2 . 6973 1 438 . 1 1 49 49 HIS C C 13 178.03 0.05 . . . . . . 49 HIS C . 6973 1 439 . 1 1 49 49 HIS CA C 13 60.31 0.05 . . . . . . 49 HIS CA . 6973 1 440 . 1 1 49 49 HIS CB C 13 32.00 0.05 . . . . . . 49 HIS CB . 6973 1 441 . 1 1 49 49 HIS N N 15 121.44 0.05 . . . . . . 49 HIS N . 6973 1 442 . 1 1 50 50 LEU H H 1 7.48 0.05 . . . . . . 50 LEU H . 6973 1 443 . 1 1 50 50 LEU HA H 1 5.03 0.05 . . . . . . 50 LEU HA . 6973 1 444 . 1 1 50 50 LEU HB2 H 1 1.43 0.05 . . . . . . 50 LEU HB1 . 6973 1 445 . 1 1 50 50 LEU HB3 H 1 1.35 0.05 . . . . . . 50 LEU HB2 . 6973 1 446 . 1 1 50 50 LEU HG H 1 1.28 0.05 . . . . . . 50 LEU HG . 6973 1 447 . 1 1 50 50 LEU HD11 H 1 0.80 0.05 . . . . . . 50 LEU HD1 . 6973 1 448 . 1 1 50 50 LEU HD12 H 1 0.80 0.05 . . . . . . 50 LEU HD1 . 6973 1 449 . 1 1 50 50 LEU HD13 H 1 0.80 0.05 . . . . . . 50 LEU HD1 . 6973 1 450 . 1 1 50 50 LEU HD21 H 1 0.80 0.05 . . . . . . 50 LEU HD2 . 6973 1 451 . 1 1 50 50 LEU HD22 H 1 0.80 0.05 . . . . . . 50 LEU HD2 . 6973 1 452 . 1 1 50 50 LEU HD23 H 1 0.80 0.05 . . . . . . 50 LEU HD2 . 6973 1 453 . 1 1 50 50 LEU C C 13 174.49 0.05 . . . . . . 50 LEU C . 6973 1 454 . 1 1 50 50 LEU CA C 13 54.80 0.05 . . . . . . 50 LEU CA . 6973 1 455 . 1 1 50 50 LEU CB C 13 46.07 0.05 . . . . . . 50 LEU CB . 6973 1 456 . 1 1 50 50 LEU CG C 13 28.58 0.05 . . . . . . 50 LEU CG . 6973 1 457 . 1 1 50 50 LEU CD1 C 13 23.41 0.05 . . . . . . 50 LEU CD1 . 6973 1 458 . 1 1 50 50 LEU CD2 C 13 25.99 0.05 . . . . . . 50 LEU CD2 . 6973 1 459 . 1 1 50 50 LEU N N 15 111.64 0.05 . . . . . . 50 LEU N . 6973 1 460 . 1 1 51 51 ASN H H 1 9.58 0.05 . . . . . . 51 ASN H . 6973 1 461 . 1 1 51 51 ASN HA H 1 4.82 0.05 . . . . . . 51 ASN HA . 6973 1 462 . 1 1 51 51 ASN HB2 H 1 2.34 0.05 . . . . . . 51 ASN HB1 . 6973 1 463 . 1 1 51 51 ASN HB3 H 1 1.77 0.05 . . . . . . 51 ASN HB2 . 6973 1 464 . 1 1 51 51 ASN C C 13 172.59 0.05 . . . . . . 51 ASN C . 6973 1 465 . 1 1 51 51 ASN CA C 13 52.30 0.05 . . . . . . 51 ASN CA . 6973 1 466 . 1 1 51 51 ASN CB C 13 40.01 0.05 . . . . . . 51 ASN CB . 6973 1 467 . 1 1 51 51 ASN N N 15 123.71 0.05 . . . . . . 51 ASN N . 6973 1 468 . 1 1 52 52 GLU H H 1 8.97 0.05 . . . . . . 52 GLU H . 6973 1 469 . 1 1 52 52 GLU HA H 1 5.04 0.05 . . . . . . 52 GLU HA . 6973 1 470 . 1 1 52 52 GLU HB2 H 1 2.16 0.05 . . . . . . 52 GLU HB1 . 6973 1 471 . 1 1 52 52 GLU HB3 H 1 1.99 0.05 . . . . . . 52 GLU HB2 . 6973 1 472 . 1 1 52 52 GLU HG2 H 1 2.32 0.05 . . . . . . 52 GLU HG1 . 6973 1 473 . 1 1 52 52 GLU C C 13 175.28 0.05 . . . . . . 52 GLU C . 6973 1 474 . 1 1 52 52 GLU CA C 13 55.41 0.05 . . . . . . 52 GLU CA . 6973 1 475 . 1 1 52 52 GLU CB C 13 31.00 0.05 . . . . . . 52 GLU CB . 6973 1 476 . 1 1 52 52 GLU N N 15 124.48 0.05 . . . . . . 52 GLU N . 6973 1 477 . 1 1 53 53 ILE H H 1 9.10 0.05 . . . . . . 53 ILE H . 6973 1 478 . 1 1 53 53 ILE HA H 1 4.52 0.05 . . . . . . 53 ILE HA . 6973 1 479 . 1 1 53 53 ILE HB H 1 2.00 0.05 . . . . . . 53 ILE HB . 6973 1 480 . 1 1 53 53 ILE HG12 H 1 1.79 0.05 . . . . . . 53 ILE HG11 . 6973 1 481 . 1 1 53 53 ILE HG13 H 1 1.25 0.05 . . . . . . 53 ILE HG12 . 6973 1 482 . 1 1 53 53 ILE HG21 H 1 0.87 0.05 . . . . . . 53 ILE HG2 . 6973 1 483 . 1 1 53 53 ILE HG22 H 1 0.87 0.05 . . . . . . 53 ILE HG2 . 6973 1 484 . 1 1 53 53 ILE HG23 H 1 0.87 0.05 . . . . . . 53 ILE HG2 . 6973 1 485 . 1 1 53 53 ILE HD11 H 1 1.12 0.05 . . . . . . 53 ILE HD1 . 6973 1 486 . 1 1 53 53 ILE HD12 H 1 1.12 0.05 . . . . . . 53 ILE HD1 . 6973 1 487 . 1 1 53 53 ILE HD13 H 1 1.12 0.05 . . . . . . 53 ILE HD1 . 6973 1 488 . 1 1 53 53 ILE C C 13 174.38 0.05 . . . . . . 53 ILE C . 6973 1 489 . 1 1 53 53 ILE CA C 13 60.61 0.05 . . . . . . 53 ILE CA . 6973 1 490 . 1 1 53 53 ILE CB C 13 41.48 0.05 . . . . . . 53 ILE CB . 6973 1 491 . 1 1 53 53 ILE CG1 C 13 27.18 0.05 . . . . . . 53 ILE CG1 . 6973 1 492 . 1 1 53 53 ILE CG2 C 13 18.74 0.05 . . . . . . 53 ILE CG2 . 6973 1 493 . 1 1 53 53 ILE CD1 C 13 14.91 0.05 . . . . . . 53 ILE CD . 6973 1 494 . 1 1 53 53 ILE N N 15 122.94 0.05 . . . . . . 53 ILE N . 6973 1 495 . 1 1 54 54 ASP H H 1 9.05 0.05 . . . . . . 54 ASP H . 6973 1 496 . 1 1 54 54 ASP HA H 1 5.07 0.05 . . . . . . 54 ASP HA . 6973 1 497 . 1 1 54 54 ASP HB2 H 1 2.73 0.05 . . . . . . 54 ASP HB1 . 6973 1 498 . 1 1 54 54 ASP HB3 H 1 2.67 0.05 . . . . . . 54 ASP HB2 . 6973 1 499 . 1 1 54 54 ASP C C 13 176.38 0.05 . . . . . . 54 ASP C . 6973 1 500 . 1 1 54 54 ASP CA C 13 54.11 0.05 . . . . . . 54 ASP CA . 6973 1 501 . 1 1 54 54 ASP CB C 13 40.70 0.05 . . . . . . 54 ASP CB . 6973 1 502 . 1 1 54 54 ASP N N 15 128.58 0.05 . . . . . . 54 ASP N . 6973 1 503 . 1 1 55 55 LEU H H 1 7.95 0.05 . . . . . . 55 LEU H . 6973 1 504 . 1 1 55 55 LEU HA H 1 4.56 0.05 . . . . . . 55 LEU HA . 6973 1 505 . 1 1 55 55 LEU HB2 H 1 1.95 0.05 . . . . . . 55 LEU HB1 . 6973 1 506 . 1 1 55 55 LEU HB3 H 1 1.80 0.05 . . . . . . 55 LEU HB2 . 6973 1 507 . 1 1 55 55 LEU C C 13 177.48 0.05 . . . . . . 55 LEU C . 6973 1 508 . 1 1 55 55 LEU CA C 13 54.88 0.05 . . . . . . 55 LEU CA . 6973 1 509 . 1 1 55 55 LEU CB C 13 44.03 0.05 . . . . . . 55 LEU CB . 6973 1 510 . 1 1 55 55 LEU N N 15 126.29 0.05 . . . . . . 55 LEU N . 6973 1 511 . 1 1 56 56 PHE H H 1 7.98 0.05 . . . . . . 56 PHE H . 6973 1 512 . 1 1 56 56 PHE HA H 1 3.34 0.05 . . . . . . 56 PHE HA . 6973 1 513 . 1 1 56 56 PHE HB2 H 1 1.49 0.05 . . . . . . 56 PHE HB1 . 6973 1 514 . 1 1 56 56 PHE HB3 H 1 2.47 0.05 . . . . . . 56 PHE HB2 . 6973 1 515 . 1 1 56 56 PHE C C 13 174.06 0.05 . . . . . . 56 PHE C . 6973 1 516 . 1 1 56 56 PHE CA C 13 60.94 0.05 . . . . . . 56 PHE CA . 6973 1 517 . 1 1 56 56 PHE CB C 13 39.70 0.05 . . . . . . 56 PHE CB . 6973 1 518 . 1 1 56 56 PHE N N 15 120.40 0.05 . . . . . . 56 PHE N . 6973 1 519 . 1 1 57 57 HIS H H 1 6.01 0.05 . . . . . . 57 HIS H . 6973 1 520 . 1 1 57 57 HIS HA H 1 4.45 0.05 . . . . . . 57 HIS HA . 6973 1 521 . 1 1 57 57 HIS HB2 H 1 3.18 0.05 . . . . . . 57 HIS HB1 . 6973 1 522 . 1 1 57 57 HIS HB3 H 1 2.18 0.05 . . . . . . 57 HIS HB2 . 6973 1 523 . 1 1 57 57 HIS CA C 13 53.60 0.05 . . . . . . 57 HIS CA . 6973 1 524 . 1 1 57 57 HIS CB C 13 34.12 0.05 . . . . . . 57 HIS CB . 6973 1 525 . 1 1 57 57 HIS N N 15 113.68 0.05 . . . . . . 57 HIS N . 6973 1 526 . 1 1 58 58 CYS H H 1 7.81 0.05 . . . . . . 58 CYS H . 6973 1 527 . 1 1 58 58 CYS HA H 1 5.02 0.05 . . . . . . 58 CYS HA . 6973 1 528 . 1 1 58 58 CYS HB2 H 1 3.10 0.05 . . . . . . 58 CYS HB1 . 6973 1 529 . 1 1 58 58 CYS HB3 H 1 2.89 0.05 . . . . . . 58 CYS HB2 . 6973 1 530 . 1 1 58 58 CYS CA C 13 58.18 0.05 . . . . . . 58 CYS CA . 6973 1 531 . 1 1 58 58 CYS CB C 13 28.93 0.05 . . . . . . 58 CYS CB . 6973 1 532 . 1 1 58 58 CYS N N 15 113.09 0.05 . . . . . . 58 CYS N . 6973 1 533 . 1 1 59 59 ILE H H 1 9.52 0.05 . . . . . . 59 ILE H . 6973 1 534 . 1 1 59 59 ILE HA H 1 5.05 0.05 . . . . . . 59 ILE HA . 6973 1 535 . 1 1 59 59 ILE HB H 1 1.84 0.05 . . . . . . 59 ILE HB . 6973 1 536 . 1 1 59 59 ILE HG12 H 1 1.26 0.05 . . . . . . 59 ILE HG11 . 6973 1 537 . 1 1 59 59 ILE HG13 H 1 1.16 0.05 . . . . . . 59 ILE HG12 . 6973 1 538 . 1 1 59 59 ILE HG21 H 1 1.01 0.05 . . . . . . 59 ILE HG2 . 6973 1 539 . 1 1 59 59 ILE HG22 H 1 1.01 0.05 . . . . . . 59 ILE HG2 . 6973 1 540 . 1 1 59 59 ILE HG23 H 1 1.01 0.05 . . . . . . 59 ILE HG2 . 6973 1 541 . 1 1 59 59 ILE HD11 H 1 0.90 0.05 . . . . . . 59 ILE HD1 . 6973 1 542 . 1 1 59 59 ILE HD12 H 1 0.90 0.05 . . . . . . 59 ILE HD1 . 6973 1 543 . 1 1 59 59 ILE HD13 H 1 0.90 0.05 . . . . . . 59 ILE HD1 . 6973 1 544 . 1 1 59 59 ILE C C 13 175.54 0.05 . . . . . . 59 ILE C . 6973 1 545 . 1 1 59 59 ILE CA C 13 59.57 0.05 . . . . . . 59 ILE CA . 6973 1 546 . 1 1 59 59 ILE CB C 13 42.36 0.05 . . . . . . 59 ILE CB . 6973 1 547 . 1 1 59 59 ILE CG1 C 13 26.28 0.05 . . . . . . 59 ILE CG1 . 6973 1 548 . 1 1 59 59 ILE CG2 C 13 19.61 0.05 . . . . . . 59 ILE CG2 . 6973 1 549 . 1 1 59 59 ILE CD1 C 13 14.91 0.05 . . . . . . 59 ILE CD . 6973 1 550 . 1 1 59 59 ILE N N 15 116.82 0.05 . . . . . . 59 ILE N . 6973 1 551 . 1 1 60 60 ASP H H 1 8.58 0.05 . . . . . . 60 ASP H . 6973 1 552 . 1 1 60 60 ASP HA H 1 5.20 0.05 . . . . . . 60 ASP HA . 6973 1 553 . 1 1 60 60 ASP HB2 H 1 2.58 0.05 . . . . . . 60 ASP HB1 . 6973 1 554 . 1 1 60 60 ASP HB3 H 1 2.35 0.05 . . . . . . 60 ASP HB2 . 6973 1 555 . 1 1 60 60 ASP C C 13 177.10 0.05 . . . . . . 60 ASP C . 6973 1 556 . 1 1 60 60 ASP CA C 13 49.70 0.05 . . . . . . 60 ASP CA . 6973 1 557 . 1 1 60 60 ASP CB C 13 41.22 0.05 . . . . . . 60 ASP CB . 6973 1 558 . 1 1 60 60 ASP N N 15 118.20 0.05 . . . . . . 60 ASP N . 6973 1 559 . 1 1 61 61 PRO HA H 1 3.78 0.05 . . . . . . 61 PRO HA . 6973 1 560 . 1 1 61 61 PRO HB2 H 1 2.29 0.05 . . . . . . 61 PRO HB1 . 6973 1 561 . 1 1 61 61 PRO HB3 H 1 2.07 0.05 . . . . . . 61 PRO HB2 . 6973 1 562 . 1 1 61 61 PRO HG2 H 1 2.13 0.05 . . . . . . 61 PRO HG1 . 6973 1 563 . 1 1 61 61 PRO HG3 H 1 1.58 0.05 . . . . . . 61 PRO HG2 . 6973 1 564 . 1 1 61 61 PRO CA C 13 64.84 0.05 . . . . . . 61 PRO CA . 6973 1 565 . 1 1 61 61 PRO CB C 13 33.16 0.05 . . . . . . 61 PRO CB . 6973 1 566 . 1 1 61 61 PRO CG C 13 27.27 0.05 . . . . . . 61 PRO CG . 6973 1 567 . 1 1 61 61 PRO CD C 13 51.81 0.05 . . . . . . 61 PRO CD . 6973 1 568 . 1 1 62 62 ASN H H 1 8.08 0.05 . . . . . . 62 ASN H . 6973 1 569 . 1 1 62 62 ASN HA H 1 4.61 0.05 . . . . . . 62 ASN HA . 6973 1 570 . 1 1 62 62 ASN HB2 H 1 2.93 0.05 . . . . . . 62 ASN HB1 . 6973 1 571 . 1 1 62 62 ASN HB3 H 1 2.90 0.05 . . . . . . 62 ASN HB2 . 6973 1 572 . 1 1 62 62 ASN CA C 13 55.26 0.05 . . . . . . 62 ASN CA . 6973 1 573 . 1 1 62 62 ASN CB C 13 38.26 0.05 . . . . . . 62 ASN CB . 6973 1 574 . 1 1 62 62 ASN N N 15 113.30 0.05 . . . . . . 62 ASN N . 6973 1 575 . 1 1 63 63 ASP H H 1 7.04 0.05 . . . . . . 63 ASP H . 6973 1 576 . 1 1 63 63 ASP HA H 1 5.09 0.05 . . . . . . 63 ASP HA . 6973 1 577 . 1 1 63 63 ASP HB2 H 1 2.52 0.05 . . . . . . 63 ASP HB1 . 6973 1 578 . 1 1 63 63 ASP HB3 H 1 2.24 0.05 . . . . . . 63 ASP HB2 . 6973 1 579 . 1 1 63 63 ASP C C 13 174.54 0.05 . . . . . . 63 ASP C . 6973 1 580 . 1 1 63 63 ASP CA C 13 52.99 0.05 . . . . . . 63 ASP CA . 6973 1 581 . 1 1 63 63 ASP CB C 13 42.17 0.05 . . . . . . 63 ASP CB . 6973 1 582 . 1 1 63 63 ASP N N 15 118.03 0.05 . . . . . . 63 ASP N . 6973 1 583 . 1 1 64 64 SER H H 1 6.76 0.05 . . . . . . 64 SER H . 6973 1 584 . 1 1 64 64 SER HA H 1 4.97 0.05 . . . . . . 64 SER HA . 6973 1 585 . 1 1 64 64 SER HB2 H 1 2.81 0.05 . . . . . . 64 SER HB1 . 6973 1 586 . 1 1 64 64 SER HG H 1 4.01 0.05 . . . . . . 64 SER HD1 . 6973 1 587 . 1 1 64 64 SER C C 13 172.00 0.05 . . . . . . 64 SER C . 6973 1 588 . 1 1 64 64 SER CA C 13 58.33 0.05 . . . . . . 64 SER CA . 6973 1 589 . 1 1 64 64 SER CB C 13 63.55 0.05 . . . . . . 64 SER CB . 6973 1 590 . 1 1 64 64 SER N N 15 115.24 0.05 . . . . . . 64 SER N . 6973 1 591 . 1 1 65 65 LYS H H 1 8.68 0.05 . . . . . . 65 LYS H . 6973 1 592 . 1 1 65 65 LYS HA H 1 5.08 0.05 . . . . . . 65 LYS HA . 6973 1 593 . 1 1 65 65 LYS HB2 H 1 1.93 0.05 . . . . . . 65 LYS HB1 . 6973 1 594 . 1 1 65 65 LYS HB3 H 1 1.76 0.05 . . . . . . 65 LYS HB2 . 6973 1 595 . 1 1 65 65 LYS HG2 H 1 1.34 0.05 . . . . . . 65 LYS HG1 . 6973 1 596 . 1 1 65 65 LYS HG3 H 1 1.29 0.05 . . . . . . 65 LYS HG2 . 6973 1 597 . 1 1 65 65 LYS C C 13 174.41 0.05 . . . . . . 65 LYS C . 6973 1 598 . 1 1 65 65 LYS CA C 13 55.33 0.05 . . . . . . 65 LYS CA . 6973 1 599 . 1 1 65 65 LYS CB C 13 36.37 0.05 . . . . . . 65 LYS CB . 6973 1 600 . 1 1 65 65 LYS N N 15 120.87 0.05 . . . . . . 65 LYS N . 6973 1 601 . 1 1 66 66 HIS H H 1 9.14 0.05 . . . . . . 66 HIS H . 6973 1 602 . 1 1 66 66 HIS HA H 1 6.05 0.05 . . . . . . 66 HIS HA . 6973 1 603 . 1 1 66 66 HIS CA C 13 54.67 0.05 . . . . . . 66 HIS CA . 6973 1 604 . 1 1 66 66 HIS N N 15 122.19 0.05 . . . . . . 66 HIS N . 6973 1 605 . 1 1 67 67 LYS H H 1 9.11 0.05 . . . . . . 67 LYS H . 6973 1 606 . 1 1 67 67 LYS HA H 1 4.58 0.05 . . . . . . 67 LYS HA . 6973 1 607 . 1 1 67 67 LYS HB2 H 1 1.81 0.05 . . . . . . 67 LYS HB1 . 6973 1 608 . 1 1 67 67 LYS HB3 H 1 1.87 0.05 . . . . . . 67 LYS HB2 . 6973 1 609 . 1 1 67 67 LYS HG2 H 1 1.41 0.05 . . . . . . 67 LYS HG1 . 6973 1 610 . 1 1 67 67 LYS HG3 H 1 1.32 0.05 . . . . . . 67 LYS HG2 . 6973 1 611 . 1 1 67 67 LYS CA C 13 55.38 0.05 . . . . . . 67 LYS CA . 6973 1 612 . 1 1 67 67 LYS CB C 13 35.91 0.05 . . . . . . 67 LYS CB . 6973 1 613 . 1 1 67 67 LYS N N 15 121.11 0.05 . . . . . . 67 LYS N . 6973 1 614 . 1 1 68 68 ARG H H 1 9.31 0.05 . . . . . . 68 ARG H . 6973 1 615 . 1 1 68 68 ARG HA H 1 5.12 0.05 . . . . . . 68 ARG HA . 6973 1 616 . 1 1 68 68 ARG HB2 H 1 1.93 0.05 . . . . . . 68 ARG HB1 . 6973 1 617 . 1 1 68 68 ARG HB3 H 1 1.89 0.05 . . . . . . 68 ARG HB2 . 6973 1 618 . 1 1 68 68 ARG CA C 13 56.27 0.05 . . . . . . 68 ARG CA . 6973 1 619 . 1 1 68 68 ARG CB C 13 31.36 0.05 . . . . . . 68 ARG CB . 6973 1 620 . 1 1 68 68 ARG N N 15 129.75 0.05 . . . . . . 68 ARG N . 6973 1 621 . 1 1 69 69 THR H H 1 9.32 0.05 . . . . . . 69 THR H . 6973 1 622 . 1 1 69 69 THR HA H 1 4.95 0.05 . . . . . . 69 THR HA . 6973 1 623 . 1 1 69 69 THR HB H 1 4.78 0.05 . . . . . . 69 THR HB . 6973 1 624 . 1 1 69 69 THR HG21 H 1 1.33 0.05 . . . . . . 69 THR HG . 6973 1 625 . 1 1 69 69 THR HG22 H 1 1.33 0.05 . . . . . . 69 THR HG . 6973 1 626 . 1 1 69 69 THR HG23 H 1 1.33 0.05 . . . . . . 69 THR HG . 6973 1 627 . 1 1 69 69 THR C C 13 174.17 0.05 . . . . . . 69 THR C . 6973 1 628 . 1 1 69 69 THR CA C 13 60.61 0.05 . . . . . . 69 THR CA . 6973 1 629 . 1 1 69 69 THR CB C 13 72.29 0.05 . . . . . . 69 THR CB . 6973 1 630 . 1 1 69 69 THR CG2 C 13 20.83 0.05 . . . . . . 69 THR CG . 6973 1 631 . 1 1 69 69 THR N N 15 120.17 0.05 . . . . . . 69 THR N . 6973 1 632 . 1 1 70 70 ASP H H 1 8.94 0.05 . . . . . . 70 ASP H . 6973 1 633 . 1 1 70 70 ASP HA H 1 4.56 0.05 . . . . . . 70 ASP HA . 6973 1 634 . 1 1 70 70 ASP HB2 H 1 2.89 0.05 . . . . . . 70 ASP HB1 . 6973 1 635 . 1 1 70 70 ASP HB3 H 1 2.77 0.05 . . . . . . 70 ASP HB2 . 6973 1 636 . 1 1 70 70 ASP CA C 13 57.15 0.05 . . . . . . 70 ASP CA . 6973 1 637 . 1 1 70 70 ASP CB C 13 40.34 0.05 . . . . . . 70 ASP CB . 6973 1 638 . 1 1 70 70 ASP N N 15 118.25 0.05 . . . . . . 70 ASP N . 6973 1 639 . 1 1 71 71 ARG H H 1 8.16 0.05 . . . . . . 71 ARG H . 6973 1 640 . 1 1 71 71 ARG HA H 1 4.52 0.05 . . . . . . 71 ARG HA . 6973 1 641 . 1 1 71 71 ARG HB2 H 1 1.81 0.05 . . . . . . 71 ARG HB1 . 6973 1 642 . 1 1 71 71 ARG HB3 H 1 1.75 0.05 . . . . . . 71 ARG HB2 . 6973 1 643 . 1 1 71 71 ARG HG2 H 1 1.65 0.05 . . . . . . 71 ARG HG1 . 6973 1 644 . 1 1 71 71 ARG C C 13 174.77 0.05 . . . . . . 71 ARG C . 6973 1 645 . 1 1 71 71 ARG CA C 13 56.80 0.05 . . . . . . 71 ARG CA . 6973 1 646 . 1 1 71 71 ARG CB C 13 32.10 0.05 . . . . . . 71 ARG CB . 6973 1 647 . 1 1 71 71 ARG N N 15 117.06 0.05 . . . . . . 71 ARG N . 6973 1 648 . 1 1 72 72 SER H H 1 7.61 0.05 . . . . . . 72 SER H . 6973 1 649 . 1 1 72 72 SER HA H 1 4.97 0.05 . . . . . . 72 SER HA . 6973 1 650 . 1 1 72 72 SER HB2 H 1 4.04 0.05 . . . . . . 72 SER HB1 . 6973 1 651 . 1 1 72 72 SER HB3 H 1 3.87 0.05 . . . . . . 72 SER HB2 . 6973 1 652 . 1 1 72 72 SER C C 13 171.79 0.05 . . . . . . 72 SER C . 6973 1 653 . 1 1 72 72 SER CA C 13 57.92 0.05 . . . . . . 72 SER CA . 6973 1 654 . 1 1 72 72 SER CB C 13 64.85 0.05 . . . . . . 72 SER CB . 6973 1 655 . 1 1 72 72 SER N N 15 109.73 0.05 . . . . . . 72 SER N . 6973 1 656 . 1 1 73 73 ILE H H 1 8.77 0.05 . . . . . . 73 ILE H . 6973 1 657 . 1 1 73 73 ILE HA H 1 5.12 0.05 . . . . . . 73 ILE HA . 6973 1 658 . 1 1 73 73 ILE HB H 1 2.05 0.05 . . . . . . 73 ILE HB . 6973 1 659 . 1 1 73 73 ILE HG12 H 1 1.66 0.05 . . . . . . 73 ILE HG11 . 6973 1 660 . 1 1 73 73 ILE HG13 H 1 1.72 0.05 . . . . . . 73 ILE HG2 . 6973 1 661 . 1 1 73 73 ILE HG21 H 1 1.02 0.05 . . . . . . 73 ILE HG2 . 6973 1 662 . 1 1 73 73 ILE HG22 H 1 1.02 0.05 . . . . . . 73 ILE HG2 . 6973 1 663 . 1 1 73 73 ILE HG23 H 1 1.02 0.05 . . . . . . 73 ILE HG2 . 6973 1 664 . 1 1 73 73 ILE HD11 H 1 1.30 0.05 . . . . . . 73 ILE HD1 . 6973 1 665 . 1 1 73 73 ILE HD12 H 1 1.30 0.05 . . . . . . 73 ILE HD1 . 6973 1 666 . 1 1 73 73 ILE HD13 H 1 1.30 0.05 . . . . . . 73 ILE HD1 . 6973 1 667 . 1 1 73 73 ILE C C 13 174.28 0.05 . . . . . . 73 ILE C . 6973 1 668 . 1 1 73 73 ILE CA C 13 62.08 0.05 . . . . . . 73 ILE CA . 6973 1 669 . 1 1 73 73 ILE CB C 13 41.13 0.05 . . . . . . 73 ILE CB . 6973 1 670 . 1 1 73 73 ILE CG2 C 13 21.39 0.05 . . . . . . 73 ILE CG2 . 6973 1 671 . 1 1 73 73 ILE CD1 C 13 17.12 0.05 . . . . . . 73 ILE CD . 6973 1 672 . 1 1 73 73 ILE N N 15 117.95 0.05 . . . . . . 73 ILE N . 6973 1 673 . 1 1 74 74 LEU H H 1 9.05 0.05 . . . . . . 74 LEU H . 6973 1 674 . 1 1 74 74 LEU HA H 1 5.14 0.05 . . . . . . 74 LEU HA . 6973 1 675 . 1 1 74 74 LEU HB2 H 1 1.99 0.05 . . . . . . 74 LEU HB1 . 6973 1 676 . 1 1 74 74 LEU HB3 H 1 1.61 0.05 . . . . . . 74 LEU HB2 . 6973 1 677 . 1 1 74 74 LEU C C 13 176.94 0.05 . . . . . . 74 LEU C . 6973 1 678 . 1 1 74 74 LEU CA C 13 54.03 0.05 . . . . . . 74 LEU CA . 6973 1 679 . 1 1 74 74 LEU CB C 13 44.33 0.05 . . . . . . 74 LEU CB . 6973 1 680 . 1 1 74 74 LEU N N 15 129.03 0.05 . . . . . . 74 LEU N . 6973 1 681 . 1 1 75 75 CYS H H 1 9.96 0.05 . . . . . . 75 CYS H . 6973 1 682 . 1 1 75 75 CYS HA H 1 5.38 0.05 . . . . . . 75 CYS HA . 6973 1 683 . 1 1 75 75 CYS HB2 H 1 3.32 0.05 . . . . . . 75 CYS HB1 . 6973 1 684 . 1 1 75 75 CYS HB3 H 1 2.82 0.05 . . . . . . 75 CYS HB2 . 6973 1 685 . 1 1 75 75 CYS C C 13 172.49 0.05 . . . . . . 75 CYS C . 6973 1 686 . 1 1 75 75 CYS CA C 13 58.36 0.05 . . . . . . 75 CYS CA . 6973 1 687 . 1 1 75 75 CYS CB C 13 29.53 0.05 . . . . . . 75 CYS CB . 6973 1 688 . 1 1 75 75 CYS N N 15 124.69 0.05 . . . . . . 75 CYS N . 6973 1 689 . 1 1 76 76 CYS H H 1 9.20 0.05 . . . . . . 76 CYS H . 6973 1 690 . 1 1 76 76 CYS HA H 1 4.48 0.05 . . . . . . 76 CYS HA . 6973 1 691 . 1 1 76 76 CYS HB2 H 1 2.54 0.05 . . . . . . 76 CYS HB1 . 6973 1 692 . 1 1 76 76 CYS HB3 H 1 2.41 0.05 . . . . . . 76 CYS HB2 . 6973 1 693 . 1 1 76 76 CYS C C 13 172.69 0.05 . . . . . . 76 CYS C . 6973 1 694 . 1 1 76 76 CYS CA C 13 56.80 0.05 . . . . . . 76 CYS CA . 6973 1 695 . 1 1 76 76 CYS CB C 13 27.46 0.05 . . . . . . 76 CYS CB . 6973 1 696 . 1 1 76 76 CYS N N 15 124.15 0.05 . . . . . . 76 CYS N . 6973 1 697 . 1 1 77 77 LEU H H 1 9.48 0.05 . . . . . . 77 LEU H . 6973 1 698 . 1 1 77 77 LEU HA H 1 4.46 0.05 . . . . . . 77 LEU HA . 6973 1 699 . 1 1 77 77 LEU HB2 H 1 1.67 0.05 . . . . . . 77 LEU HB1 . 6973 1 700 . 1 1 77 77 LEU HB3 H 1 1.27 0.05 . . . . . . 77 LEU HB2 . 6973 1 701 . 1 1 77 77 LEU C C 13 175.54 0.05 . . . . . . 77 LEU C . 6973 1 702 . 1 1 77 77 LEU CA C 13 53.25 0.05 . . . . . . 77 LEU CA . 6973 1 703 . 1 1 77 77 LEU CB C 13 41.13 0.05 . . . . . . 77 LEU CB . 6973 1 704 . 1 1 77 77 LEU N N 15 127.65 0.05 . . . . . . 77 LEU N . 6973 1 705 . 1 1 78 78 ARG H H 1 7.71 0.05 . . . . . . 78 ARG H . 6973 1 706 . 1 1 78 78 ARG HA H 1 3.97 0.05 . . . . . . 78 ARG HA . 6973 1 707 . 1 1 78 78 ARG HB2 H 1 1.83 0.05 . . . . . . 78 ARG HB1 . 6973 1 708 . 1 1 78 78 ARG HG2 H 1 1.27 0.05 . . . . . . 78 ARG HG1 . 6973 1 709 . 1 1 78 78 ARG C C 13 175.57 0.05 . . . . . . 78 ARG C . 6973 1 710 . 1 1 78 78 ARG CA C 13 54.29 0.05 . . . . . . 78 ARG CA . 6973 1 711 . 1 1 78 78 ARG CB C 13 29.62 0.05 . . . . . . 78 ARG CB . 6973 1 712 . 1 1 78 78 ARG N N 15 124.84 0.05 . . . . . . 78 ARG N . 6973 1 713 . 1 1 79 79 LYS H H 1 8.23 0.05 . . . . . . 79 LYS H . 6973 1 714 . 1 1 79 79 LYS HA H 1 3.94 0.05 . . . . . . 79 LYS HA . 6973 1 715 . 1 1 79 79 LYS HB2 H 1 1.71 0.05 . . . . . . 79 LYS HB1 . 6973 1 716 . 1 1 79 79 LYS HB3 H 1 1.48 0.05 . . . . . . 79 LYS HB2 . 6973 1 717 . 1 1 79 79 LYS C C 13 177.17 0.05 . . . . . . 79 LYS C . 6973 1 718 . 1 1 79 79 LYS CA C 13 58.71 0.05 . . . . . . 79 LYS CA . 6973 1 719 . 1 1 79 79 LYS CB C 13 33.60 0.05 . . . . . . 79 LYS CB . 6973 1 720 . 1 1 79 79 LYS N N 15 128.28 0.05 . . . . . . 79 LYS N . 6973 1 721 . 1 1 80 80 GLY H H 1 8.89 0.05 . . . . . . 80 GLY H . 6973 1 722 . 1 1 80 80 GLY HA2 H 1 3.66 0.05 . . . . . . 80 GLY HA1 . 6973 1 723 . 1 1 80 80 GLY HA3 H 1 3.66 0.05 . . . . . . 80 GLY HA2 . 6973 1 724 . 1 1 80 80 GLY CA C 13 46.15 0.05 . . . . . . 80 GLY CA . 6973 1 725 . 1 1 80 80 GLY N N 15 111.23 0.05 . . . . . . 80 GLY N . 6973 1 726 . 1 1 81 81 GLU H H 1 7.64 0.05 . . . . . . 81 GLU H . 6973 1 727 . 1 1 81 81 GLU HA H 1 4.53 0.05 . . . . . . 81 GLU HA . 6973 1 728 . 1 1 81 81 GLU HB2 H 1 2.31 0.05 . . . . . . 81 GLU HB1 . 6973 1 729 . 1 1 81 81 GLU HB3 H 1 2.12 0.05 . . . . . . 81 GLU HB2 . 6973 1 730 . 1 1 81 81 GLU HG2 H 1 2.42 0.05 . . . . . . 81 GLU HG1 . 6973 1 731 . 1 1 81 81 GLU C C 13 176.46 0.05 . . . . . . 81 GLU C . 6973 1 732 . 1 1 81 81 GLU CA C 13 54.46 0.05 . . . . . . 81 GLU CA . 6973 1 733 . 1 1 81 81 GLU CB C 13 30.23 0.05 . . . . . . 81 GLU CB . 6973 1 734 . 1 1 81 81 GLU N N 15 118.81 0.05 . . . . . . 81 GLU N . 6973 1 735 . 1 1 82 82 SER H H 1 8.56 0.05 . . . . . . 82 SER H . 6973 1 736 . 1 1 82 82 SER HA H 1 4.16 0.05 . . . . . . 82 SER HA . 6973 1 737 . 1 1 82 82 SER HB2 H 1 3.84 0.05 . . . . . . 82 SER HB1 . 6973 1 738 . 1 1 82 82 SER HB3 H 1 3.75 0.05 . . . . . . 82 SER HB2 . 6973 1 739 . 1 1 82 82 SER C C 13 176.55 0.05 . . . . . . 82 SER C . 6973 1 740 . 1 1 82 82 SER CA C 13 59.77 0.05 . . . . . . 82 SER CA . 6973 1 741 . 1 1 82 82 SER CB C 13 63.31 0.05 . . . . . . 82 SER CB . 6973 1 742 . 1 1 82 82 SER N N 15 120.57 0.05 . . . . . . 82 SER N . 6973 1 743 . 1 1 83 83 GLY H H 1 8.41 0.05 . . . . . . 83 GLY H . 6973 1 744 . 1 1 83 83 GLY HA2 H 1 4.22 0.05 . . . . . . 83 GLY HA1 . 6973 1 745 . 1 1 83 83 GLY HA3 H 1 3.70 0.05 . . . . . . 83 GLY HA2 . 6973 1 746 . 1 1 83 83 GLY C C 13 173.41 0.05 . . . . . . 83 GLY C . 6973 1 747 . 1 1 83 83 GLY CA C 13 46.41 0.05 . . . . . . 83 GLY CA . 6973 1 748 . 1 1 83 83 GLY N N 15 111.95 0.05 . . . . . . 83 GLY N . 6973 1 749 . 1 1 84 84 GLN H H 1 7.21 0.05 . . . . . . 84 GLN H . 6973 1 750 . 1 1 84 84 GLN HA H 1 4.67 0.05 . . . . . . 84 GLN HA . 6973 1 751 . 1 1 84 84 GLN HB2 H 1 2.10 0.05 . . . . . . 84 GLN HB1 . 6973 1 752 . 1 1 84 84 GLN HB3 H 1 2.30 0.05 . . . . . . 84 GLN HB2 . 6973 1 753 . 1 1 84 84 GLN HG2 H 1 2.45 0.05 . . . . . . 84 GLN HG1 . 6973 1 754 . 1 1 84 84 GLN HG3 H 1 2.32 0.05 . . . . . . 84 GLN HG2 . 6973 1 755 . 1 1 84 84 GLN CA C 13 54.81 0.05 . . . . . . 84 GLN CA . 6973 1 756 . 1 1 84 84 GLN CB C 13 30.14 0.05 . . . . . . 84 GLN CB . 6973 1 757 . 1 1 84 84 GLN CG C 13 33.57 0.05 . . . . . . 84 GLN CG . 6973 1 758 . 1 1 84 84 GLN N N 15 118.52 0.05 . . . . . . 84 GLN N . 6973 1 759 . 1 1 85 85 SER H H 1 9.31 0.05 . . . . . . 85 SER H . 6973 1 760 . 1 1 85 85 SER HA H 1 4.73 0.05 . . . . . . 85 SER HA . 6973 1 761 . 1 1 85 85 SER HB2 H 1 3.81 0.05 . . . . . . 85 SER HB1 . 6973 1 762 . 1 1 85 85 SER HB3 H 1 3.76 0.05 . . . . . . 85 SER HB2 . 6973 1 763 . 1 1 85 85 SER C C 13 174.69 0.05 . . . . . . 85 SER C . 6973 1 764 . 1 1 85 85 SER CA C 13 59.26 0.05 . . . . . . 85 SER CA . 6973 1 765 . 1 1 85 85 SER CB C 13 63.26 0.05 . . . . . . 85 SER CB . 6973 1 766 . 1 1 85 85 SER N N 15 125.87 0.05 . . . . . . 85 SER N . 6973 1 767 . 1 1 86 86 TRP H H 1 9.52 0.05 . . . . . . 86 TRP H . 6973 1 768 . 1 1 86 86 TRP HA H 1 5.25 0.05 . . . . . . 86 TRP HA . 6973 1 769 . 1 1 86 86 TRP HB2 H 1 3.45 0.05 . . . . . . 86 TRP HB1 . 6973 1 770 . 1 1 86 86 TRP HE1 H 1 10.57 0.05 . . . . . . 86 TRP HE1 . 6973 1 771 . 1 1 86 86 TRP CA C 13 54.03 0.05 . . . . . . 86 TRP CA . 6973 1 772 . 1 1 86 86 TRP CB C 13 27.46 0.05 . . . . . . 86 TRP CB . 6973 1 773 . 1 1 86 86 TRP N N 15 128.91 0.05 . . . . . . 86 TRP N . 6973 1 774 . 1 1 86 86 TRP NE1 N 15 127.00 0.05 . . . . . . 86 TRP NE . 6973 1 775 . 1 1 87 87 PRO HA H 1 4.66 0.05 . . . . . . 87 PRO HA . 6973 1 776 . 1 1 87 87 PRO HB2 H 1 1.94 0.05 . . . . . . 87 PRO HB1 . 6973 1 777 . 1 1 87 87 PRO HB3 H 1 2.26 0.05 . . . . . . 87 PRO HB2 . 6973 1 778 . 1 1 87 87 PRO HG2 H 1 1.42 0.05 . . . . . . 87 PRO HG1 . 6973 1 779 . 1 1 87 87 PRO HG3 H 1 1.97 0.05 . . . . . . 87 PRO HG2 . 6973 1 780 . 1 1 87 87 PRO HD2 H 1 3.57 0.05 . . . . . . 87 PRO HD1 . 6973 1 781 . 1 1 87 87 PRO HD3 H 1 2.93 0.05 . . . . . . 87 PRO HD2 . 6973 1 782 . 1 1 87 87 PRO C C 13 175.86 0.05 . . . . . . 87 PRO C . 6973 1 783 . 1 1 87 87 PRO CA C 13 63.56 0.05 . . . . . . 87 PRO CA . 6973 1 784 . 1 1 87 87 PRO CB C 13 31.71 0.05 . . . . . . 87 PRO CB . 6973 1 785 . 1 1 87 87 PRO CG C 13 26.97 0.05 . . . . . . 87 PRO CG . 6973 1 786 . 1 1 87 87 PRO CD C 13 50.53 0.05 . . . . . . 87 PRO CD . 6973 1 787 . 1 1 88 88 ARG H H 1 7.16 0.05 . . . . . . 88 ARG H . 6973 1 788 . 1 1 88 88 ARG HA H 1 4.66 0.05 . . . . . . 88 ARG HA . 6973 1 789 . 1 1 88 88 ARG HB2 H 1 1.91 0.05 . . . . . . 88 ARG HB1 . 6973 1 790 . 1 1 88 88 ARG HB3 H 1 1.71 0.05 . . . . . . 88 ARG HB2 . 6973 1 791 . 1 1 88 88 ARG HG2 H 1 1.65 0.05 . . . . . . 88 ARG HG1 . 6973 1 792 . 1 1 88 88 ARG HG3 H 1 1.30 0.05 . . . . . . 88 ARG HG2 . 6973 1 793 . 1 1 88 88 ARG C C 13 172.26 0.05 . . . . . . 88 ARG C . 6973 1 794 . 1 1 88 88 ARG CA C 13 53.77 0.05 . . . . . . 88 ARG CA . 6973 1 795 . 1 1 88 88 ARG CB C 13 31.27 0.05 . . . . . . 88 ARG CB . 6973 1 796 . 1 1 88 88 ARG N N 15 113.24 0.05 . . . . . . 88 ARG N . 6973 1 797 . 1 1 89 89 LEU H H 1 8.06 0.05 . . . . . . 89 LEU H . 6973 1 798 . 1 1 89 89 LEU HA H 1 3.92 0.05 . . . . . . 89 LEU HA . 6973 1 799 . 1 1 89 89 LEU HB2 H 1 0.88 0.05 . . . . . . 89 LEU HB1 . 6973 1 800 . 1 1 89 89 LEU HB3 H 1 -0.67 0.05 . . . . . . 89 LEU HB2 . 6973 1 801 . 1 1 89 89 LEU C C 13 177.64 0.05 . . . . . . 89 LEU C . 6973 1 802 . 1 1 89 89 LEU CA C 13 55.67 0.05 . . . . . . 89 LEU CA . 6973 1 803 . 1 1 89 89 LEU CB C 13 42.26 0.05 . . . . . . 89 LEU CB . 6973 1 804 . 1 1 89 89 LEU N N 15 117.92 0.05 . . . . . . 89 LEU N . 6973 1 805 . 1 1 90 90 THR H H 1 6.69 0.05 . . . . . . 90 THR H . 6973 1 806 . 1 1 90 90 THR HA H 1 4.92 0.05 . . . . . . 90 THR HA . 6973 1 807 . 1 1 90 90 THR HB H 1 4.70 0.05 . . . . . . 90 THR HB . 6973 1 808 . 1 1 90 90 THR HG21 H 1 1.02 0.05 . . . . . . 90 THR HG . 6973 1 809 . 1 1 90 90 THR HG22 H 1 1.02 0.05 . . . . . . 90 THR HG . 6973 1 810 . 1 1 90 90 THR HG23 H 1 1.02 0.05 . . . . . . 90 THR HG . 6973 1 811 . 1 1 90 90 THR C C 13 174.93 0.05 . . . . . . 90 THR C . 6973 1 812 . 1 1 90 90 THR CA C 13 58.70 0.05 . . . . . . 90 THR CA . 6973 1 813 . 1 1 90 90 THR CB C 13 70.91 0.05 . . . . . . 90 THR CB . 6973 1 814 . 1 1 90 90 THR CG2 C 13 21.39 0.05 . . . . . . 90 THR CG . 6973 1 815 . 1 1 90 90 THR N N 15 101.77 0.05 . . . . . . 90 THR N . 6973 1 816 . 1 1 91 91 LYS H H 1 7.86 0.05 . . . . . . 91 LYS H . 6973 1 817 . 1 1 91 91 LYS HA H 1 3.86 0.05 . . . . . . 91 LYS HA . 6973 1 818 . 1 1 91 91 LYS HB2 H 1 1.66 0.05 . . . . . . 91 LYS HB1 . 6973 1 819 . 1 1 91 91 LYS HB3 H 1 1.63 0.05 . . . . . . 91 LYS HB2 . 6973 1 820 . 1 1 91 91 LYS HG2 H 1 1.33 0.05 . . . . . . 91 LYS HG1 . 6973 1 821 . 1 1 91 91 LYS HG3 H 1 1.25 0.05 . . . . . . 91 LYS HG2 . 6973 1 822 . 1 1 91 91 LYS C C 13 178.70 0.05 . . . . . . 91 LYS C . 6973 1 823 . 1 1 91 91 LYS CA C 13 60.09 0.05 . . . . . . 91 LYS CA . 6973 1 824 . 1 1 91 91 LYS CB C 13 32.56 0.05 . . . . . . 91 LYS CB . 6973 1 825 . 1 1 91 91 LYS N N 15 122.13 0.05 . . . . . . 91 LYS N . 6973 1 826 . 1 1 92 92 GLU H H 1 8.82 0.05 . . . . . . 92 GLU H . 6973 1 827 . 1 1 92 92 GLU HA H 1 4.49 0.05 . . . . . . 92 GLU HA . 6973 1 828 . 1 1 92 92 GLU HB2 H 1 1.97 0.05 . . . . . . 92 GLU HB1 . 6973 1 829 . 1 1 92 92 GLU HB3 H 1 2.11 0.05 . . . . . . 92 GLU HB2 . 6973 1 830 . 1 1 92 92 GLU HG2 H 1 2.11 0.05 . . . . . . 92 GLU HG1 . 6973 1 831 . 1 1 92 92 GLU HG3 H 1 2.36 0.05 . . . . . . 92 GLU HG2 . 6973 1 832 . 1 1 92 92 GLU C C 13 176.75 0.05 . . . . . . 92 GLU C . 6973 1 833 . 1 1 92 92 GLU CA C 13 54.98 0.05 . . . . . . 92 GLU CA . 6973 1 834 . 1 1 92 92 GLU CB C 13 30.05 0.05 . . . . . . 92 GLU CB . 6973 1 835 . 1 1 92 92 GLU N N 15 117.34 0.05 . . . . . . 92 GLU N . 6973 1 836 . 1 1 93 93 ARG H H 1 8.75 0.05 . . . . . . 93 ARG H . 6973 1 837 . 1 1 93 93 ARG HA H 1 4.03 0.05 . . . . . . 93 ARG HA . 6973 1 838 . 1 1 93 93 ARG HB2 H 1 1.85 0.05 . . . . . . 93 ARG HB1 . 6973 1 839 . 1 1 93 93 ARG HB3 H 1 1.62 0.05 . . . . . . 93 ARG HB2 . 6973 1 840 . 1 1 93 93 ARG CA C 13 56.66 0.05 . . . . . . 93 ARG CA . 6973 1 841 . 1 1 93 93 ARG CB C 13 29.73 0.05 . . . . . . 93 ARG CB . 6973 1 842 . 1 1 93 93 ARG N N 15 122.30 0.05 . . . . . . 93 ARG N . 6973 1 843 . 1 1 94 94 ALA H H 1 7.49 0.05 . . . . . . 94 ALA H . 6973 1 844 . 1 1 94 94 ALA HA H 1 4.28 0.05 . . . . . . 94 ALA HA . 6973 1 845 . 1 1 94 94 ALA HB1 H 1 1.31 0.05 . . . . . . 94 ALA HB . 6973 1 846 . 1 1 94 94 ALA HB2 H 1 1.31 0.05 . . . . . . 94 ALA HB . 6973 1 847 . 1 1 94 94 ALA HB3 H 1 1.31 0.05 . . . . . . 94 ALA HB . 6973 1 848 . 1 1 94 94 ALA C C 13 176.43 0.05 . . . . . . 94 ALA C . 6973 1 849 . 1 1 94 94 ALA CA C 13 52.12 0.05 . . . . . . 94 ALA CA . 6973 1 850 . 1 1 94 94 ALA CB C 13 20.21 0.05 . . . . . . 94 ALA CB . 6973 1 851 . 1 1 94 94 ALA N N 15 124.84 0.05 . . . . . . 94 ALA N . 6973 1 852 . 1 1 95 95 LYS H H 1 8.47 0.05 . . . . . . 95 LYS H . 6973 1 853 . 1 1 95 95 LYS HA H 1 4.23 0.05 . . . . . . 95 LYS HA . 6973 1 854 . 1 1 95 95 LYS HB2 H 1 1.92 0.05 . . . . . . 95 LYS HB1 . 6973 1 855 . 1 1 95 95 LYS HB3 H 1 1.62 0.05 . . . . . . 95 LYS HB2 . 6973 1 856 . 1 1 95 95 LYS HG2 H 1 1.41 0.05 . . . . . . 95 LYS HG1 . 6973 1 857 . 1 1 95 95 LYS CA C 13 56.16 0.05 . . . . . . 95 LYS CA . 6973 1 858 . 1 1 95 95 LYS CB C 13 36.00 0.05 . . . . . . 95 LYS CB . 6973 1 859 . 1 1 95 95 LYS N N 15 123.02 0.05 . . . . . . 95 LYS N . 6973 1 860 . 1 1 96 96 LEU H H 1 8.48 0.05 . . . . . . 96 LEU H . 6973 1 861 . 1 1 96 96 LEU HA H 1 4.53 0.05 . . . . . . 96 LEU HA . 6973 1 862 . 1 1 96 96 LEU HB2 H 1 1.19 0.05 . . . . . . 96 LEU HB1 . 6973 1 863 . 1 1 96 96 LEU HB3 H 1 0.11 0.05 . . . . . . 96 LEU HB2 . 6973 1 864 . 1 1 96 96 LEU CA C 13 53.06 0.05 . . . . . . 96 LEU CA . 6973 1 865 . 1 1 96 96 LEU CB C 13 42.19 0.05 . . . . . . 96 LEU CB . 6973 1 866 . 1 1 96 96 LEU N N 15 126.86 0.05 . . . . . . 96 LEU N . 6973 1 867 . 1 1 97 97 ASN H H 1 9.16 0.05 . . . . . . 97 ASN H . 6973 1 868 . 1 1 97 97 ASN HA H 1 4.40 0.05 . . . . . . 97 ASN HA . 6973 1 869 . 1 1 97 97 ASN HB2 H 1 2.93 0.05 . . . . . . 97 ASN HB1 . 6973 1 870 . 1 1 97 97 ASN HB3 H 1 2.99 0.05 . . . . . . 97 ASN HB2 . 6973 1 871 . 1 1 97 97 ASN C C 13 175.38 0.05 . . . . . . 97 ASN C . 6973 1 872 . 1 1 97 97 ASN CA C 13 55.97 0.05 . . . . . . 97 ASN CA . 6973 1 873 . 1 1 97 97 ASN N N 15 121.96 0.05 . . . . . . 97 ASN N . 6973 1 874 . 1 1 98 98 TRP H H 1 6.87 0.05 . . . . . . 98 TRP H . 6973 1 875 . 1 1 98 98 TRP HA H 1 4.79 0.05 . . . . . . 98 TRP HA . 6973 1 876 . 1 1 98 98 TRP HB2 H 1 3.98 0.05 . . . . . . 98 TRP HB1 . 6973 1 877 . 1 1 98 98 TRP HB3 H 1 3.03 0.05 . . . . . . 98 TRP HB2 . 6973 1 878 . 1 1 98 98 TRP HE1 H 1 10.94 0.05 . . . . . . 98 TRP HE1 . 6973 1 879 . 1 1 98 98 TRP C C 13 173.98 0.05 . . . . . . 98 TRP C . 6973 1 880 . 1 1 98 98 TRP CA C 13 54.11 0.05 . . . . . . 98 TRP CA . 6973 1 881 . 1 1 98 98 TRP CB C 13 29.19 0.05 . . . . . . 98 TRP CB . 6973 1 882 . 1 1 98 98 TRP N N 15 112.71 0.05 . . . . . . 98 TRP N . 6973 1 883 . 1 1 98 98 TRP NE1 N 15 132.30 0.05 . . . . . . 98 TRP NE . 6973 1 884 . 1 1 99 99 LEU H H 1 6.92 0.05 . . . . . . 99 LEU H . 6973 1 885 . 1 1 99 99 LEU HA H 1 5.15 0.05 . . . . . . 99 LEU HA . 6973 1 886 . 1 1 99 99 LEU HB2 H 1 1.39 0.05 . . . . . . 99 LEU HB1 . 6973 1 887 . 1 1 99 99 LEU HB3 H 1 0.03 0.05 . . . . . . 99 LEU HB2 . 6973 1 888 . 1 1 99 99 LEU HG H 1 1.34 0.05 . . . . . . 99 LEU HG . 6973 1 889 . 1 1 99 99 LEU HD11 H 1 0.79 0.05 . . . . . . 99 LEU HD1 . 6973 1 890 . 1 1 99 99 LEU HD12 H 1 0.79 0.05 . . . . . . 99 LEU HD1 . 6973 1 891 . 1 1 99 99 LEU HD13 H 1 0.79 0.05 . . . . . . 99 LEU HD1 . 6973 1 892 . 1 1 99 99 LEU HD21 H 1 0.50 0.05 . . . . . . 99 LEU HD2 . 6973 1 893 . 1 1 99 99 LEU HD22 H 1 0.50 0.05 . . . . . . 99 LEU HD2 . 6973 1 894 . 1 1 99 99 LEU HD23 H 1 0.50 0.05 . . . . . . 99 LEU HD2 . 6973 1 895 . 1 1 99 99 LEU C C 13 175.32 0.05 . . . . . . 99 LEU C . 6973 1 896 . 1 1 99 99 LEU CA C 13 53.68 0.05 . . . . . . 99 LEU CA . 6973 1 897 . 1 1 99 99 LEU CB C 13 44.33 0.05 . . . . . . 99 LEU CB . 6973 1 898 . 1 1 99 99 LEU CG C 13 27.89 0.05 . . . . . . 99 LEU CG . 6973 1 899 . 1 1 99 99 LEU CD1 C 13 22.68 0.05 . . . . . . 99 LEU CD1 . 6973 1 900 . 1 1 99 99 LEU CD2 C 13 26.78 0.05 . . . . . . 99 LEU CD2 . 6973 1 901 . 1 1 99 99 LEU N N 15 124.48 0.05 . . . . . . 99 LEU N . 6973 1 902 . 1 1 100 100 SER H H 1 8.78 0.05 . . . . . . 100 SER H . 6973 1 903 . 1 1 100 100 SER HA H 1 4.99 0.05 . . . . . . 100 SER HA . 6973 1 904 . 1 1 100 100 SER HB2 H 1 3.89 0.05 . . . . . . 100 SER HB1 . 6973 1 905 . 1 1 100 100 SER C C 13 173.26 0.05 . . . . . . 100 SER C . 6973 1 906 . 1 1 100 100 SER CA C 13 56.71 0.05 . . . . . . 100 SER CA . 6973 1 907 . 1 1 100 100 SER CB C 13 66.49 0.05 . . . . . . 100 SER CB . 6973 1 908 . 1 1 100 100 SER N N 15 120.91 0.05 . . . . . . 100 SER N . 6973 1 909 . 1 1 101 101 VAL H H 1 8.37 0.05 . . . . . . 101 VAL H . 6973 1 910 . 1 1 101 101 VAL HA H 1 3.61 0.05 . . . . . . 101 VAL HA . 6973 1 911 . 1 1 101 101 VAL HB H 1 1.22 0.05 . . . . . . 101 VAL HB . 6973 1 912 . 1 1 101 101 VAL HG11 H 1 0.47 0.05 . . . . . . 101 VAL HG1 . 6973 1 913 . 1 1 101 101 VAL HG12 H 1 0.47 0.05 . . . . . . 101 VAL HG1 . 6973 1 914 . 1 1 101 101 VAL HG13 H 1 0.47 0.05 . . . . . . 101 VAL HG1 . 6973 1 915 . 1 1 101 101 VAL HG21 H 1 -0.06 0.05 . . . . . . 101 VAL HG2 . 6973 1 916 . 1 1 101 101 VAL HG22 H 1 -0.06 0.05 . . . . . . 101 VAL HG2 . 6973 1 917 . 1 1 101 101 VAL HG23 H 1 -0.06 0.05 . . . . . . 101 VAL HG2 . 6973 1 918 . 1 1 101 101 VAL C C 13 176.43 0.05 . . . . . . 101 VAL C . 6973 1 919 . 1 1 101 101 VAL CA C 13 62.94 0.05 . . . . . . 101 VAL CA . 6973 1 920 . 1 1 101 101 VAL CB C 13 32.30 0.05 . . . . . . 101 VAL CB . 6973 1 921 . 1 1 101 101 VAL CG1 C 13 21.73 0.05 . . . . . . 101 VAL CG1 . 6973 1 922 . 1 1 101 101 VAL CG2 C 13 20.96 0.05 . . . . . . 101 VAL CG2 . 6973 1 923 . 1 1 101 101 VAL N N 15 122.45 0.05 . . . . . . 101 VAL N . 6973 1 924 . 1 1 102 102 ASP H H 1 8.80 0.05 . . . . . . 102 ASP H . 6973 1 925 . 1 1 102 102 ASP HA H 1 4.58 0.05 . . . . . . 102 ASP HA . 6973 1 926 . 1 1 102 102 ASP HB2 H 1 2.29 0.05 . . . . . . 102 ASP HB1 . 6973 1 927 . 1 1 102 102 ASP HB3 H 1 3.03 0.05 . . . . . . 102 ASP HB2 . 6973 1 928 . 1 1 102 102 ASP C C 13 175.89 0.05 . . . . . . 102 ASP C . 6973 1 929 . 1 1 102 102 ASP CA C 13 51.95 0.05 . . . . . . 102 ASP CA . 6973 1 930 . 1 1 102 102 ASP CB C 13 40.17 0.05 . . . . . . 102 ASP CB . 6973 1 931 . 1 1 102 102 ASP N N 15 123.99 0.05 . . . . . . 102 ASP N . 6973 1 932 . 1 1 103 103 PHE H H 1 7.93 0.05 . . . . . . 103 PHE H . 6973 1 933 . 1 1 103 103 PHE HA H 1 4.21 0.05 . . . . . . 103 PHE HA . 6973 1 934 . 1 1 103 103 PHE HB2 H 1 3.21 0.05 . . . . . . 103 PHE HB1 . 6973 1 935 . 1 1 103 103 PHE HB3 H 1 2.95 0.05 . . . . . . 103 PHE HB2 . 6973 1 936 . 1 1 103 103 PHE C C 13 175.59 0.05 . . . . . . 103 PHE C . 6973 1 937 . 1 1 103 103 PHE CA C 13 61.04 0.05 . . . . . . 103 PHE CA . 6973 1 938 . 1 1 103 103 PHE CB C 13 38.36 0.05 . . . . . . 103 PHE CB . 6973 1 939 . 1 1 103 103 PHE N N 15 125.08 0.05 . . . . . . 103 PHE N . 6973 1 940 . 1 1 104 104 ASN H H 1 8.10 0.05 . . . . . . 104 ASN H . 6973 1 941 . 1 1 104 104 ASN HA H 1 4.51 0.05 . . . . . . 104 ASN HA . 6973 1 942 . 1 1 104 104 ASN HB2 H 1 2.77 0.05 . . . . . . 104 ASN HB1 . 6973 1 943 . 1 1 104 104 ASN HB3 H 1 2.65 0.05 . . . . . . 104 ASN HB2 . 6973 1 944 . 1 1 104 104 ASN C C 13 175.78 0.05 . . . . . . 104 ASN C . 6973 1 945 . 1 1 104 104 ASN CA C 13 55.23 0.05 . . . . . . 104 ASN CA . 6973 1 946 . 1 1 104 104 ASN CB C 13 38.44 0.05 . . . . . . 104 ASN CB . 6973 1 947 . 1 1 104 104 ASN N N 15 115.72 0.05 . . . . . . 104 ASN N . 6973 1 948 . 1 1 105 105 ASN H H 1 6.92 0.05 . . . . . . 105 ASN H . 6973 1 949 . 1 1 105 105 ASN HA H 1 4.54 0.05 . . . . . . 105 ASN HA . 6973 1 950 . 1 1 105 105 ASN HB2 H 1 0.97 0.05 . . . . . . 105 ASN HB1 . 6973 1 951 . 1 1 105 105 ASN HB3 H 1 1.02 0.05 . . . . . . 105 ASN HB2 . 6973 1 952 . 1 1 105 105 ASN C C 13 173.96 0.05 . . . . . . 105 ASN C . 6973 1 953 . 1 1 105 105 ASN CA C 13 52.65 0.05 . . . . . . 105 ASN CA . 6973 1 954 . 1 1 105 105 ASN CB C 13 39.40 0.05 . . . . . . 105 ASN CB . 6973 1 955 . 1 1 105 105 ASN N N 15 114.50 0.05 . . . . . . 105 ASN N . 6973 1 956 . 1 1 106 106 TRP H H 1 7.87 0.05 . . . . . . 106 TRP H . 6973 1 957 . 1 1 106 106 TRP HA H 1 4.33 0.05 . . . . . . 106 TRP HA . 6973 1 958 . 1 1 106 106 TRP HB2 H 1 3.09 0.05 . . . . . . 106 TRP HB1 . 6973 1 959 . 1 1 106 106 TRP HB3 H 1 3.05 0.05 . . . . . . 106 TRP HB2 . 6973 1 960 . 1 1 106 106 TRP HE1 H 1 10.05 0.05 . . . . . . 106 TRP HE1 . 6973 1 961 . 1 1 106 106 TRP C C 13 175.59 0.05 . . . . . . 106 TRP C . 6973 1 962 . 1 1 106 106 TRP CA C 13 58.53 0.05 . . . . . . 106 TRP CA . 6973 1 963 . 1 1 106 106 TRP CB C 13 28.24 0.05 . . . . . . 106 TRP CB . 6973 1 964 . 1 1 106 106 TRP N N 15 123.95 0.05 . . . . . . 106 TRP N . 6973 1 965 . 1 1 106 106 TRP NE1 N 15 130.00 0.05 . . . . . . 106 TRP NE . 6973 1 966 . 1 1 107 107 LYS H H 1 8.11 0.05 . . . . . . 107 LYS H . 6973 1 967 . 1 1 107 107 LYS HA H 1 4.35 0.05 . . . . . . 107 LYS HA . 6973 1 968 . 1 1 107 107 LYS HB2 H 1 1.67 0.05 . . . . . . 107 LYS HB1 . 6973 1 969 . 1 1 107 107 LYS HB3 H 1 1.53 0.05 . . . . . . 107 LYS HB2 . 6973 1 970 . 1 1 107 107 LYS HG2 H 1 1.20 0.05 . . . . . . 107 LYS HG1 . 6973 1 971 . 1 1 107 107 LYS C C 13 174.65 0.05 . . . . . . 107 LYS C . 6973 1 972 . 1 1 107 107 LYS CA C 13 55.33 0.05 . . . . . . 107 LYS CA . 6973 1 973 . 1 1 107 107 LYS CB C 13 36.03 0.05 . . . . . . 107 LYS CB . 6973 1 974 . 1 1 107 107 LYS N N 15 127.53 0.05 . . . . . . 107 LYS N . 6973 1 975 . 1 1 108 108 ASP H H 1 8.55 0.05 . . . . . . 108 ASP H . 6973 1 976 . 1 1 108 108 ASP HA H 1 4.56 0.05 . . . . . . 108 ASP HA . 6973 1 977 . 1 1 108 108 ASP HB2 H 1 2.75 0.05 . . . . . . 108 ASP HB1 . 6973 1 978 . 1 1 108 108 ASP HB3 H 1 2.55 0.05 . . . . . . 108 ASP HB2 . 6973 1 979 . 1 1 108 108 ASP C C 13 176.11 0.05 . . . . . . 108 ASP C . 6973 1 980 . 1 1 108 108 ASP CA C 13 53.58 0.05 . . . . . . 108 ASP CA . 6973 1 981 . 1 1 108 108 ASP CB C 13 39.72 0.05 . . . . . . 108 ASP CB . 6973 1 982 . 1 1 108 108 ASP N N 15 123.30 0.05 . . . . . . 108 ASP N . 6973 1 983 . 1 1 109 109 TRP NE1 N 15 131.00 0.05 . . . . . . 109 LEU NE . 6973 1 984 . 1 1 109 109 TRP H H 1 7.38 0.05 . . . . . . 109 TRP H . 6973 1 985 . 1 1 109 109 TRP HA H 1 4.47 0.05 . . . . . . 109 TRP HA . 6973 1 986 . 1 1 109 109 TRP HB2 H 1 3.56 0.05 . . . . . . 109 TRP HB1 . 6973 1 987 . 1 1 109 109 TRP HB3 H 1 2.93 0.05 . . . . . . 109 TRP HB2 . 6973 1 988 . 1 1 109 109 TRP HE1 H 1 9.95 0.05 . . . . . . 109 TRP HE1 . 6973 1 989 . 1 1 109 109 TRP C C 13 176.97 0.05 . . . . . . 109 TRP C . 6973 1 990 . 1 1 109 109 TRP CA C 13 56.80 0.05 . . . . . . 109 TRP CA . 6973 1 991 . 1 1 109 109 TRP CB C 13 29.27 0.05 . . . . . . 109 TRP CB . 6973 1 992 . 1 1 109 109 TRP N N 15 121.68 0.05 . . . . . . 109 TRP N . 6973 1 993 . 1 1 110 110 GLU H H 1 8.04 0.05 . . . . . . 110 GLU H . 6973 1 994 . 1 1 110 110 GLU HA H 1 3.94 0.05 . . . . . . 110 GLU HA . 6973 1 995 . 1 1 110 110 GLU HB2 H 1 1.47 0.05 . . . . . . 110 GLU HB1 . 6973 1 996 . 1 1 110 110 GLU HB3 H 1 1.72 0.05 . . . . . . 110 GLU HB2 . 6973 1 997 . 1 1 110 110 GLU HG2 H 1 1.84 0.05 . . . . . . 110 GLU HG1 . 6973 1 998 . 1 1 110 110 GLU C C 13 176.48 0.05 . . . . . . 110 GLU C . 6973 1 999 . 1 1 110 110 GLU CA C 13 58.18 0.05 . . . . . . 110 GLU CA . 6973 1 1000 . 1 1 110 110 GLU CB C 13 29.90 0.05 . . . . . . 110 GLU CB . 6973 1 1001 . 1 1 110 110 GLU N N 15 122.81 0.05 . . . . . . 110 GLU N . 6973 1 1002 . 1 1 111 111 ASP H H 1 7.90 0.05 . . . . . . 111 ASP H . 6973 1 1003 . 1 1 111 111 ASP HA H 1 4.61 0.05 . . . . . . 111 ASP HA . 6973 1 1004 . 1 1 111 111 ASP HB2 H 1 2.76 0.05 . . . . . . 111 ASP HB1 . 6973 1 1005 . 1 1 111 111 ASP HB3 H 1 2.56 0.05 . . . . . . 111 ASP HB2 . 6973 1 1006 . 1 1 111 111 ASP C C 13 175.87 0.05 . . . . . . 111 ASP C . 6973 1 1007 . 1 1 111 111 ASP CA C 13 54.20 0.05 . . . . . . 111 ASP CA . 6973 1 1008 . 1 1 111 111 ASP CB C 13 41.31 0.05 . . . . . . 111 ASP CB . 6973 1 1009 . 1 1 111 111 ASP N N 15 119.45 0.05 . . . . . . 111 ASP N . 6973 1 1010 . 1 1 112 112 ASP H H 1 8.03 0.05 . . . . . . 112 ASP H . 6973 1 1011 . 1 1 112 112 ASP HA H 1 4.68 0.05 . . . . . . 112 ASP HA . 6973 1 1012 . 1 1 112 112 ASP HB2 H 1 2.75 0.05 . . . . . . 112 ASP HB1 . 6973 1 1013 . 1 1 112 112 ASP C C 13 176.39 0.05 . . . . . . 112 ASP C . 6973 1 1014 . 1 1 112 112 ASP CA C 13 54.40 0.05 . . . . . . 112 ASP CA . 6973 1 1015 . 1 1 112 112 ASP CB C 13 41.45 0.05 . . . . . . 112 ASP CB . 6973 1 1016 . 1 1 112 112 ASP N N 15 121.15 0.05 . . . . . . 112 ASP N . 6973 1 1017 . 1 1 113 113 SER H H 1 8.35 0.05 . . . . . . 113 SER H . 6973 1 1018 . 1 1 113 113 SER HA H 1 4.45 0.05 . . . . . . 113 SER HA . 6973 1 1019 . 1 1 113 113 SER HB2 H 1 3.89 0.05 . . . . . . 113 SER HB1 . 6973 1 1020 . 1 1 113 113 SER C C 13 174.63 0.05 . . . . . . 113 SER C . 6973 1 1021 . 1 1 113 113 SER CA C 13 58.69 0.05 . . . . . . 113 SER CA . 6973 1 1022 . 1 1 113 113 SER CB C 13 64.22 0.05 . . . . . . 113 SER CB . 6973 1 1023 . 1 1 113 113 SER N N 15 116.41 0.05 . . . . . . 113 SER N . 6973 1 1024 . 1 1 114 114 ASP H H 1 8.45 0.05 . . . . . . 114 ASP H . 6973 1 1025 . 1 1 114 114 ASP HA H 1 4.64 0.05 . . . . . . 114 ASP HA . 6973 1 1026 . 1 1 114 114 ASP HB2 H 1 2.73 0.05 . . . . . . 114 ASP HB1 . 6973 1 1027 . 1 1 114 114 ASP HB3 H 1 2.66 0.05 . . . . . . 114 ASP HB2 . 6973 1 1028 . 1 1 114 114 ASP C C 13 176.46 0.05 . . . . . . 114 ASP C . 6973 1 1029 . 1 1 114 114 ASP CA C 13 54.37 0.05 . . . . . . 114 ASP CA . 6973 1 1030 . 1 1 114 114 ASP CB C 13 41.13 0.05 . . . . . . 114 ASP CB . 6973 1 1031 . 1 1 114 114 ASP N N 15 122.77 0.05 . . . . . . 114 ASP N . 6973 1 1032 . 1 1 115 115 GLU H H 1 8.33 0.05 . . . . . . 115 GLU H . 6973 1 1033 . 1 1 115 115 GLU HA H 1 4.24 0.05 . . . . . . 115 GLU HA . 6973 1 1034 . 1 1 115 115 GLU HB2 H 1 1.93 0.05 . . . . . . 115 GLU HB1 . 6973 1 1035 . 1 1 115 115 GLU HB3 H 1 2.06 0.05 . . . . . . 115 GLU HB2 . 6973 1 1036 . 1 1 115 115 GLU HG2 H 1 2.26 0.05 . . . . . . 115 GLU HG1 . 6973 1 1037 . 1 1 115 115 GLU C C 13 176.35 0.05 . . . . . . 115 GLU C . 6973 1 1038 . 1 1 115 115 GLU CA C 13 56.82 0.05 . . . . . . 115 GLU CA . 6973 1 1039 . 1 1 115 115 GLU CB C 13 30.14 0.05 . . . . . . 115 GLU CB . 6973 1 1040 . 1 1 115 115 GLU CG C 13 36.89 0.05 . . . . . . 115 GLU CG . 6973 1 1041 . 1 1 115 115 GLU N N 15 121.35 0.05 . . . . . . 115 GLU N . 6973 1 1042 . 1 1 116 116 ASP H H 1 8.40 0.05 . . . . . . 116 ASP H . 6973 1 1043 . 1 1 116 116 ASP HA H 1 4.59 0.05 . . . . . . 116 ASP HA . 6973 1 1044 . 1 1 116 116 ASP HB2 H 1 2.77 0.05 . . . . . . 116 ASP HB1 . 6973 1 1045 . 1 1 116 116 ASP HB3 H 1 2.64 0.05 . . . . . . 116 ASP HB2 . 6973 1 1046 . 1 1 116 116 ASP C C 13 176.39 0.05 . . . . . . 116 ASP C . 6973 1 1047 . 1 1 116 116 ASP CA C 13 54.38 0.05 . . . . . . 116 ASP CA . 6973 1 1048 . 1 1 116 116 ASP CB C 13 40.97 0.05 . . . . . . 116 ASP CB . 6973 1 1049 . 1 1 116 116 ASP N N 15 121.36 0.05 . . . . . . 116 ASP N . 6973 1 1050 . 1 1 117 117 MET H H 1 8.31 0.05 . . . . . . 117 MET H . 6973 1 1051 . 1 1 117 117 MET HA H 1 4.54 0.05 . . . . . . 117 MET HA . 6973 1 1052 . 1 1 117 117 MET HB2 H 1 2.01 0.05 . . . . . . 117 MET HB1 . 6973 1 1053 . 1 1 117 117 MET HB3 H 1 2.15 0.05 . . . . . . 117 MET HB2 . 6973 1 1054 . 1 1 117 117 MET HG2 H 1 2.53 0.05 . . . . . . 117 MET HG1 . 6973 1 1055 . 1 1 117 117 MET HG3 H 1 2.63 0.05 . . . . . . 117 MET HG2 . 6973 1 1056 . 1 1 117 117 MET C C 13 176.37 0.05 . . . . . . 117 MET C . 6973 1 1057 . 1 1 117 117 MET CA C 13 55.36 0.05 . . . . . . 117 MET CA . 6973 1 1058 . 1 1 117 117 MET CB C 13 32.41 0.05 . . . . . . 117 MET CB . 6973 1 1059 . 1 1 117 117 MET CG C 13 32.14 0.05 . . . . . . 117 MET CG . 6973 1 1060 . 1 1 117 117 MET CE C 13 17.06 0.05 . . . . . . 117 MET CE . 6973 1 1061 . 1 1 117 117 MET N N 15 121.35 0.05 . . . . . . 117 MET N . 6973 1 1062 . 1 1 118 118 SER H H 1 8.34 0.05 . . . . . . 118 SER H . 6973 1 1063 . 1 1 118 118 SER HA H 1 4.43 0.05 . . . . . . 118 SER HA . 6973 1 1064 . 1 1 118 118 SER HB2 H 1 3.87 0.05 . . . . . . 118 SER HB1 . 6973 1 1065 . 1 1 118 118 SER C C 13 173.52 0.05 . . . . . . 118 SER C . 6973 1 1066 . 1 1 118 118 SER CA C 13 58.44 0.05 . . . . . . 118 SER CA . 6973 1 1067 . 1 1 118 118 SER CB C 13 63.89 0.05 . . . . . . 118 SER CB . 6973 1 1068 . 1 1 118 118 SER N N 15 117.34 0.05 . . . . . . 118 SER N . 6973 1 1069 . 1 1 119 119 ASN H H 1 8.03 0.05 . . . . . . 119 ASN H . 6973 1 1070 . 1 1 119 119 ASN HA H 1 4.49 0.05 . . . . . . 119 ASN HA . 6973 1 1071 . 1 1 119 119 ASN HB2 H 1 2.77 0.05 . . . . . . 119 ASN HB1 . 6973 1 1072 . 1 1 119 119 ASN HB3 H 1 2.67 0.05 . . . . . . 119 ASN HB2 . 6973 1 1073 . 1 1 119 119 ASN C C 13 179.59 0.05 . . . . . . 119 ASN C . 6973 1 1074 . 1 1 119 119 ASN CA C 13 54.89 0.05 . . . . . . 119 ASN CA . 6973 1 1075 . 1 1 119 119 ASN CB C 13 40.26 0.05 . . . . . . 119 ASN CB . 6973 1 1076 . 1 1 119 119 ASN N N 15 125.93 0.05 . . . . . . 119 ASN N . 6973 1 stop_ save_