data_50526 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50526 _Entry.Title ; Assigned chemical shifts for PABPC1 RRM1 and BTG2(APRO) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-21 _Entry.Accession_date 2020-10-21 _Entry.Last_release_date 2020-10-21 _Entry.Original_release_date 2020-10-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nina Ripin . . . . 50526 2 Frederic Allain . . . . 50526 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50526 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 50526 '15N chemical shifts' 181 50526 '1H chemical shifts' 180 50526 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-06-30 . original BMRB . 50526 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50526 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34060423 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A conserved motif in human BTG1 and BTG2 proteins mediates interaction with the poly(A) binding protein PABPC1 to stimulate mRNA deadenylation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'RNA Biol.' _Citation.Journal_name_full 'RNA biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1555-8584 _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 1 _Citation.Page_last 16 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hamza Amine . . . . 50526 1 2 Nina Ripin . . . . 50526 1 3 Sahil Sharma . . . . 50526 1 4 Georg Stoecklin . . . . 50526 1 5 Frederic Allain . H. . . 50526 1 6 Bertrand Seraphin . . . . 50526 1 7 Fabienne Mauxion . . . . 50526 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50526 _Assembly.ID 1 _Assembly.Name 'PABPC1 RRM1 - BTG2(APRO)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'PABPC1 RRM1' 1 $entity_1 . . yes native no no . . . 50526 1 2 BTG2(APRO) 2 $entity_2 . . yes native no no . . . 50526 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50526 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMNPSAPSYPMASLYVGDL HPDVTEAMLYEKFSPAGPIL SIRVCRDMITRRSLGYAYVN FQQPADAERALDTMNFDVIK GKPVRIMWSQRDPSLRKSGV G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M1, N2, P3, ...' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 101 _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 . 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 -1 GLY . 50526 1 2 0 ALA . 50526 1 3 1 MET . 50526 1 4 2 ASN . 50526 1 5 3 PRO . 50526 1 6 4 SER . 50526 1 7 5 ALA . 50526 1 8 6 PRO . 50526 1 9 7 SER . 50526 1 10 8 TYR . 50526 1 11 9 PRO . 50526 1 12 10 MET . 50526 1 13 11 ALA . 50526 1 14 12 SER . 50526 1 15 13 LEU . 50526 1 16 14 TYR . 50526 1 17 15 VAL . 50526 1 18 16 GLY . 50526 1 19 17 ASP . 50526 1 20 18 LEU . 50526 1 21 19 HIS . 50526 1 22 20 PRO . 50526 1 23 21 ASP . 50526 1 24 22 VAL . 50526 1 25 23 THR . 50526 1 26 24 GLU . 50526 1 27 25 ALA . 50526 1 28 26 MET . 50526 1 29 27 LEU . 50526 1 30 28 TYR . 50526 1 31 29 GLU . 50526 1 32 30 LYS . 50526 1 33 31 PHE . 50526 1 34 32 SER . 50526 1 35 33 PRO . 50526 1 36 34 ALA . 50526 1 37 35 GLY . 50526 1 38 36 PRO . 50526 1 39 37 ILE . 50526 1 40 38 LEU . 50526 1 41 39 SER . 50526 1 42 40 ILE . 50526 1 43 41 ARG . 50526 1 44 42 VAL . 50526 1 45 43 CYS . 50526 1 46 44 ARG . 50526 1 47 45 ASP . 50526 1 48 46 MET . 50526 1 49 47 ILE . 50526 1 50 48 THR . 50526 1 51 49 ARG . 50526 1 52 50 ARG . 50526 1 53 51 SER . 50526 1 54 52 LEU . 50526 1 55 53 GLY . 50526 1 56 54 TYR . 50526 1 57 55 ALA . 50526 1 58 56 TYR . 50526 1 59 57 VAL . 50526 1 60 58 ASN . 50526 1 61 59 PHE . 50526 1 62 60 GLN . 50526 1 63 61 GLN . 50526 1 64 62 PRO . 50526 1 65 63 ALA . 50526 1 66 64 ASP . 50526 1 67 65 ALA . 50526 1 68 66 GLU . 50526 1 69 67 ARG . 50526 1 70 68 ALA . 50526 1 71 69 LEU . 50526 1 72 70 ASP . 50526 1 73 71 THR . 50526 1 74 72 MET . 50526 1 75 73 ASN . 50526 1 76 74 PHE . 50526 1 77 75 ASP . 50526 1 78 76 VAL . 50526 1 79 77 ILE . 50526 1 80 78 LYS . 50526 1 81 79 GLY . 50526 1 82 80 LYS . 50526 1 83 81 PRO . 50526 1 84 82 VAL . 50526 1 85 83 ARG . 50526 1 86 84 ILE . 50526 1 87 85 MET . 50526 1 88 86 TRP . 50526 1 89 87 SER . 50526 1 90 88 GLN . 50526 1 91 89 ARG . 50526 1 92 90 ASP . 50526 1 93 91 PRO . 50526 1 94 92 SER . 50526 1 95 93 LEU . 50526 1 96 94 ARG . 50526 1 97 95 LYS . 50526 1 98 96 SER . 50526 1 99 97 GLY . 50526 1 100 98 VAL . 50526 1 101 99 GLY . 50526 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 . GLY 1 1 50526 1 . ALA 2 2 50526 1 . MET 3 3 50526 1 . ASN 4 4 50526 1 . PRO 5 5 50526 1 . SER 6 6 50526 1 . ALA 7 7 50526 1 . PRO 8 8 50526 1 . SER 9 9 50526 1 . TYR 10 10 50526 1 . PRO 11 11 50526 1 . MET 12 12 50526 1 . ALA 13 13 50526 1 . SER 14 14 50526 1 . LEU 15 15 50526 1 . TYR 16 16 50526 1 . VAL 17 17 50526 1 . GLY 18 18 50526 1 . ASP 19 19 50526 1 . LEU 20 20 50526 1 . HIS 21 21 50526 1 . PRO 22 22 50526 1 . ASP 23 23 50526 1 . VAL 24 24 50526 1 . THR 25 25 50526 1 . GLU 26 26 50526 1 . ALA 27 27 50526 1 . MET 28 28 50526 1 . LEU 29 29 50526 1 . TYR 30 30 50526 1 . GLU 31 31 50526 1 . LYS 32 32 50526 1 . PHE 33 33 50526 1 . SER 34 34 50526 1 . PRO 35 35 50526 1 . ALA 36 36 50526 1 . GLY 37 37 50526 1 . PRO 38 38 50526 1 . ILE 39 39 50526 1 . LEU 40 40 50526 1 . SER 41 41 50526 1 . ILE 42 42 50526 1 . ARG 43 43 50526 1 . VAL 44 44 50526 1 . CYS 45 45 50526 1 . ARG 46 46 50526 1 . ASP 47 47 50526 1 . MET 48 48 50526 1 . ILE 49 49 50526 1 . THR 50 50 50526 1 . ARG 51 51 50526 1 . ARG 52 52 50526 1 . SER 53 53 50526 1 . LEU 54 54 50526 1 . GLY 55 55 50526 1 . TYR 56 56 50526 1 . ALA 57 57 50526 1 . TYR 58 58 50526 1 . VAL 59 59 50526 1 . ASN 60 60 50526 1 . PHE 61 61 50526 1 . GLN 62 62 50526 1 . GLN 63 63 50526 1 . PRO 64 64 50526 1 . ALA 65 65 50526 1 . ASP 66 66 50526 1 . ALA 67 67 50526 1 . GLU 68 68 50526 1 . ARG 69 69 50526 1 . ALA 70 70 50526 1 . LEU 71 71 50526 1 . ASP 72 72 50526 1 . THR 73 73 50526 1 . MET 74 74 50526 1 . ASN 75 75 50526 1 . PHE 76 76 50526 1 . ASP 77 77 50526 1 . VAL 78 78 50526 1 . ILE 79 79 50526 1 . LYS 80 80 50526 1 . GLY 81 81 50526 1 . LYS 82 82 50526 1 . PRO 83 83 50526 1 . VAL 84 84 50526 1 . ARG 85 85 50526 1 . ILE 86 86 50526 1 . MET 87 87 50526 1 . TRP 88 88 50526 1 . SER 89 89 50526 1 . GLN 90 90 50526 1 . ARG 91 91 50526 1 . ASP 92 92 50526 1 . PRO 93 93 50526 1 . SER 94 94 50526 1 . LEU 95 95 50526 1 . ARG 96 96 50526 1 . LYS 97 97 50526 1 . SER 98 98 50526 1 . GLY 99 99 50526 1 . VAL 100 100 50526 1 . GLY 101 101 50526 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50526 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GAMSHGKGTDMLPEIAAAVG FLSSLLRTRGCVSEQRLKVF SGALQEALTEHYKHHWFPEK PSKGSGYRCIRINHKMDPII SRVASQIGLSQPQLHQLLPS ELTLWVDPYEVSYRIGEDGS ICVLYEEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M1, S2, H3,...' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 -1 GLY . 50526 2 2 0 ALA . 50526 2 3 1 MET . 50526 2 4 2 SER . 50526 2 5 3 HIS . 50526 2 6 4 GLY . 50526 2 7 5 LYS . 50526 2 8 6 GLY . 50526 2 9 7 THR . 50526 2 10 8 ASP . 50526 2 11 9 MET . 50526 2 12 10 LEU . 50526 2 13 11 PRO . 50526 2 14 12 GLU . 50526 2 15 13 ILE . 50526 2 16 14 ALA . 50526 2 17 15 ALA . 50526 2 18 16 ALA . 50526 2 19 17 VAL . 50526 2 20 18 GLY . 50526 2 21 19 PHE . 50526 2 22 20 LEU . 50526 2 23 21 SER . 50526 2 24 22 SER . 50526 2 25 23 LEU . 50526 2 26 24 LEU . 50526 2 27 25 ARG . 50526 2 28 26 THR . 50526 2 29 27 ARG . 50526 2 30 28 GLY . 50526 2 31 29 CYS . 50526 2 32 30 VAL . 50526 2 33 31 SER . 50526 2 34 32 GLU . 50526 2 35 33 GLN . 50526 2 36 34 ARG . 50526 2 37 35 LEU . 50526 2 38 36 LYS . 50526 2 39 37 VAL . 50526 2 40 38 PHE . 50526 2 41 39 SER . 50526 2 42 40 GLY . 50526 2 43 41 ALA . 50526 2 44 42 LEU . 50526 2 45 43 GLN . 50526 2 46 44 GLU . 50526 2 47 45 ALA . 50526 2 48 46 LEU . 50526 2 49 47 THR . 50526 2 50 48 GLU . 50526 2 51 49 HIS . 50526 2 52 50 TYR . 50526 2 53 51 LYS . 50526 2 54 52 HIS . 50526 2 55 53 HIS . 50526 2 56 54 TRP . 50526 2 57 55 PHE . 50526 2 58 56 PRO . 50526 2 59 57 GLU . 50526 2 60 58 LYS . 50526 2 61 59 PRO . 50526 2 62 60 SER . 50526 2 63 61 LYS . 50526 2 64 62 GLY . 50526 2 65 63 SER . 50526 2 66 64 GLY . 50526 2 67 65 TYR . 50526 2 68 66 ARG . 50526 2 69 67 CYS . 50526 2 70 68 ILE . 50526 2 71 69 ARG . 50526 2 72 70 ILE . 50526 2 73 71 ASN . 50526 2 74 72 HIS . 50526 2 75 73 LYS . 50526 2 76 74 MET . 50526 2 77 75 ASP . 50526 2 78 76 PRO . 50526 2 79 77 ILE . 50526 2 80 78 ILE . 50526 2 81 79 SER . 50526 2 82 80 ARG . 50526 2 83 81 VAL . 50526 2 84 82 ALA . 50526 2 85 83 SER . 50526 2 86 84 GLN . 50526 2 87 85 ILE . 50526 2 88 86 GLY . 50526 2 89 87 LEU . 50526 2 90 88 SER . 50526 2 91 89 GLN . 50526 2 92 90 PRO . 50526 2 93 91 GLN . 50526 2 94 92 LEU . 50526 2 95 93 HIS . 50526 2 96 94 GLN . 50526 2 97 95 LEU . 50526 2 98 96 LEU . 50526 2 99 97 PRO . 50526 2 100 98 SER . 50526 2 101 99 GLU . 50526 2 102 100 LEU . 50526 2 103 101 THR . 50526 2 104 102 LEU . 50526 2 105 103 TRP . 50526 2 106 104 VAL . 50526 2 107 105 ASP . 50526 2 108 106 PRO . 50526 2 109 107 TYR . 50526 2 110 108 GLU . 50526 2 111 109 VAL . 50526 2 112 110 SER . 50526 2 113 111 TYR . 50526 2 114 112 ARG . 50526 2 115 113 ILE . 50526 2 116 114 GLY . 50526 2 117 115 GLU . 50526 2 118 116 ASP . 50526 2 119 117 GLY . 50526 2 120 118 SER . 50526 2 121 119 ILE . 50526 2 122 120 CYS . 50526 2 123 121 VAL . 50526 2 124 122 LEU . 50526 2 125 123 TYR . 50526 2 126 124 GLU . 50526 2 127 125 GLU . 50526 2 128 126 ALA . 50526 2 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 . GLY 1 1 50526 2 . ALA 2 2 50526 2 . MET 3 3 50526 2 . SER 4 4 50526 2 . HIS 5 5 50526 2 . GLY 6 6 50526 2 . LYS 7 7 50526 2 . GLY 8 8 50526 2 . THR 9 9 50526 2 . ASP 10 10 50526 2 . MET 11 11 50526 2 . LEU 12 12 50526 2 . PRO 13 13 50526 2 . GLU 14 14 50526 2 . ILE 15 15 50526 2 . ALA 16 16 50526 2 . ALA 17 17 50526 2 . ALA 18 18 50526 2 . VAL 19 19 50526 2 . GLY 20 20 50526 2 . PHE 21 21 50526 2 . LEU 22 22 50526 2 . SER 23 23 50526 2 . SER 24 24 50526 2 . LEU 25 25 50526 2 . LEU 26 26 50526 2 . ARG 27 27 50526 2 . THR 28 28 50526 2 . ARG 29 29 50526 2 . GLY 30 30 50526 2 . CYS 31 31 50526 2 . VAL 32 32 50526 2 . SER 33 33 50526 2 . GLU 34 34 50526 2 . GLN 35 35 50526 2 . ARG 36 36 50526 2 . LEU 37 37 50526 2 . LYS 38 38 50526 2 . VAL 39 39 50526 2 . PHE 40 40 50526 2 . SER 41 41 50526 2 . GLY 42 42 50526 2 . ALA 43 43 50526 2 . LEU 44 44 50526 2 . GLN 45 45 50526 2 . GLU 46 46 50526 2 . ALA 47 47 50526 2 . LEU 48 48 50526 2 . THR 49 49 50526 2 . GLU 50 50 50526 2 . HIS 51 51 50526 2 . TYR 52 52 50526 2 . LYS 53 53 50526 2 . HIS 54 54 50526 2 . HIS 55 55 50526 2 . TRP 56 56 50526 2 . PHE 57 57 50526 2 . PRO 58 58 50526 2 . GLU 59 59 50526 2 . LYS 60 60 50526 2 . PRO 61 61 50526 2 . SER 62 62 50526 2 . LYS 63 63 50526 2 . GLY 64 64 50526 2 . SER 65 65 50526 2 . GLY 66 66 50526 2 . TYR 67 67 50526 2 . ARG 68 68 50526 2 . CYS 69 69 50526 2 . ILE 70 70 50526 2 . ARG 71 71 50526 2 . ILE 72 72 50526 2 . ASN 73 73 50526 2 . HIS 74 74 50526 2 . LYS 75 75 50526 2 . MET 76 76 50526 2 . ASP 77 77 50526 2 . PRO 78 78 50526 2 . ILE 79 79 50526 2 . ILE 80 80 50526 2 . SER 81 81 50526 2 . ARG 82 82 50526 2 . VAL 83 83 50526 2 . ALA 84 84 50526 2 . SER 85 85 50526 2 . GLN 86 86 50526 2 . ILE 87 87 50526 2 . GLY 88 88 50526 2 . LEU 89 89 50526 2 . SER 90 90 50526 2 . GLN 91 91 50526 2 . PRO 92 92 50526 2 . GLN 93 93 50526 2 . LEU 94 94 50526 2 . HIS 95 95 50526 2 . GLN 96 96 50526 2 . LEU 97 97 50526 2 . LEU 98 98 50526 2 . PRO 99 99 50526 2 . SER 100 100 50526 2 . GLU 101 101 50526 2 . LEU 102 102 50526 2 . THR 103 103 50526 2 . LEU 104 104 50526 2 . TRP 105 105 50526 2 . VAL 106 106 50526 2 . ASP 107 107 50526 2 . PRO 108 108 50526 2 . TYR 109 109 50526 2 . GLU 110 110 50526 2 . VAL 111 111 50526 2 . SER 112 112 50526 2 . TYR 113 113 50526 2 . ARG 114 114 50526 2 . ILE 115 115 50526 2 . GLY 116 116 50526 2 . GLU 117 117 50526 2 . ASP 118 118 50526 2 . GLY 119 119 50526 2 . SER 120 120 50526 2 . ILE 121 121 50526 2 . CYS 122 122 50526 2 . VAL 123 123 50526 2 . LEU 124 124 50526 2 . TYR 125 125 50526 2 . GLU 126 126 50526 2 . GLU 127 127 50526 2 . ALA 128 128 50526 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50526 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50526 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50526 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50526 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-GB1 . . . 50526 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-GB1 . . . 50526 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50526 _Sample.ID 1 _Sample.Name 'PABPC1 RRM1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _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 'PABPC1 RRM1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 750 500 1000 uM . . . . 50526 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50526 _Sample.ID 2 _Sample.Name BTG2(APRO) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _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 BTG2(APRO) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 50526 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50526 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PABPC1 RRM1' _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 'ionic strength' 0.1 . M 50526 1 pH 5.5 . pH 50526 1 pressure 1 . atm 50526 1 temperature 298 . K 50526 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50526 _Sample_condition_list.ID 2 _Sample_condition_list.Name BTG2(APRO) _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 'ionic strength' 0.1 . M 50526 2 pH 7 . pH 50526 2 pressure 1 . atm 50526 2 temperature 298 . K 50526 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50526 _Software.ID 1 _Software.Type . _Software.Name 'TOPSPIN Bruker Biospin' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50526 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50526 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50526 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50526 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AvanceIII 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50526 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 3 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 8 '3D CBCACONH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 9 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 10 '3D HNCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 11 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 12 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50526 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50526 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RRM1-shifts_converted _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 50526 1 H 1 DSS 'methyl protons' . . . . Hz -40.6 external direct 1.000000000 . . . . . 50526 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 50526 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 50526 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name BTG2_shifts_converted _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 50526 2 H 1 DSS 'methyl protons' . . . . Hz -41.21 external direct 1.000000000 . . . . . 50526 2 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 50526 2 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50526 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PABPC1 RRM1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 '3D CBCACONH' . . . 50526 1 2 '3D HNCACB' . . . 50526 1 3 '3D HNCACO' . . . 50526 1 4 '3D HNCA' . . . 50526 1 5 '3D HNCO' . . . 50526 1 6 '2D 1H-13C HSQC' . . . 50526 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50526 1 2 $software_2 . . 50526 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 7 7 ALA H H 1 8.169 0 . . . . . . . 5 A HN . 50526 1 2 . 1 . 1 7 7 ALA C C 13 175.157 0 . . . . . . . 5 A CO . 50526 1 3 . 1 . 1 7 7 ALA CA C 13 50.484 0.007 . . . . . . . 5 A CA . 50526 1 4 . 1 . 1 7 7 ALA CB C 13 18.236 0 . . . . . . . 5 A CB . 50526 1 5 . 1 . 1 7 7 ALA N N 15 126.562 0.006 . . . . . . . 5 A N . 50526 1 6 . 1 . 1 9 9 SER H H 1 8.169 0.001 . . . . . . . 7 S HN . 50526 1 7 . 1 . 1 9 9 SER C C 13 173.407 0 . . . . . . . 7 S CO . 50526 1 8 . 1 . 1 9 9 SER CA C 13 57.949 0.007 . . . . . . . 7 S CA . 50526 1 9 . 1 . 1 9 9 SER CB C 13 64.000 0.051 . . . . . . . 7 S CB . 50526 1 10 . 1 . 1 9 9 SER N N 15 115.281 0.004 . . . . . . . 7 S N . 50526 1 11 . 1 . 1 10 10 TYR H H 1 8.095 0 . . . . . . . 8 Y HN . 50526 1 12 . 1 . 1 10 10 TYR C C 13 173.825 0 . . . . . . . 8 Y CO . 50526 1 13 . 1 . 1 10 10 TYR CA C 13 55.559 0.053 . . . . . . . 8 Y CA . 50526 1 14 . 1 . 1 10 10 TYR CB C 13 38.49 0 . . . . . . . 8 Y CB . 50526 1 15 . 1 . 1 10 10 TYR N N 15 122.309 0.005 . . . . . . . 8 Y N . 50526 1 16 . 1 . 1 12 12 MET H H 1 8.199 0.002 . . . . . . . 10 M HN . 50526 1 17 . 1 . 1 12 12 MET C C 13 174.871 0 . . . . . . . 10 M CO . 50526 1 18 . 1 . 1 12 12 MET CA C 13 55.770 0.062 . . . . . . . 10 M CA . 50526 1 19 . 1 . 1 12 12 MET CB C 13 32.817 0.007 . . . . . . . 10 M CB . 50526 1 20 . 1 . 1 12 12 MET N N 15 119.375 0.009 . . . . . . . 10 M N . 50526 1 21 . 1 . 1 13 13 ALA H H 1 8.442 0.002 . . . . . . . 11 A HN . 50526 1 22 . 1 . 1 13 13 ALA C C 13 175.02 0 . . . . . . . 11 A CO . 50526 1 23 . 1 . 1 13 13 ALA CA C 13 51.312 0 . . . . . . . 11 A CA . 50526 1 24 . 1 . 1 13 13 ALA CB C 13 20.022 0 . . . . . . . 11 A CB . 50526 1 25 . 1 . 1 13 13 ALA N N 15 123.379 0.012 . . . . . . . 11 A N . 50526 1 26 . 1 . 1 14 14 SER H H 1 8.045 0.001 . . . . . . . 12 S HN . 50526 1 27 . 1 . 1 14 14 SER C C 13 173.573 0 . . . . . . . 12 S CO . 50526 1 28 . 1 . 1 14 14 SER CA C 13 57.62 0 . . . . . . . 12 S CA . 50526 1 29 . 1 . 1 14 14 SER CB C 13 64.982 0 . . . . . . . 12 S CB . 50526 1 30 . 1 . 1 14 14 SER N N 15 114.663 0.005 . . . . . . . 12 S N . 50526 1 31 . 1 . 1 15 15 LEU H H 1 9.116 0.003 . . . . . . . 13 L HN . 50526 1 32 . 1 . 1 15 15 LEU C C 13 175.527 0.015 . . . . . . . 13 L CO . 50526 1 33 . 1 . 1 15 15 LEU CA C 13 53.34 0 . . . . . . . 13 L CA . 50526 1 34 . 1 . 1 15 15 LEU CB C 13 43.978 0 . . . . . . . 13 L CB . 50526 1 35 . 1 . 1 15 15 LEU N N 15 125.368 0.027 . . . . . . . 13 L N . 50526 1 36 . 1 . 1 16 16 TYR H H 1 9.084 0.005 . . . . . . . 14 Y HN . 50526 1 37 . 1 . 1 16 16 TYR C C 13 173.575 0 . . . . . . . 14 Y CO . 50526 1 38 . 1 . 1 16 16 TYR CA C 13 56.751 0 . . . . . . . 14 Y CA . 50526 1 39 . 1 . 1 16 16 TYR CB C 13 39.939 0 . . . . . . . 14 Y CB . 50526 1 40 . 1 . 1 16 16 TYR N N 15 124.656 0.016 . . . . . . . 14 Y N . 50526 1 41 . 1 . 1 17 17 VAL H H 1 8.554 0.001 . . . . . . . 15 V HN . 50526 1 42 . 1 . 1 17 17 VAL C C 13 174.092 0 . . . . . . . 15 V CO . 50526 1 43 . 1 . 1 17 17 VAL CA C 13 60.843 0 . . . . . . . 15 V CA . 50526 1 44 . 1 . 1 17 17 VAL CB C 13 32.732 0 . . . . . . . 15 V CB . 50526 1 45 . 1 . 1 17 17 VAL N N 15 128.29 0.013 . . . . . . . 15 V N . 50526 1 46 . 1 . 1 18 18 GLY H H 1 9.192 0.002 . . . . . . . 16 G HN . 50526 1 47 . 1 . 1 18 18 GLY C C 13 172.715 0 . . . . . . . 16 G CO . 50526 1 48 . 1 . 1 18 18 GLY CA C 13 43.225 0 . . . . . . . 16 G CA . 50526 1 49 . 1 . 1 18 18 GLY N N 15 112.441 0.008 . . . . . . . 16 G N . 50526 1 50 . 1 . 1 19 19 ASP H H 1 8.341 0.003 . . . . . . . 17 D HN . 50526 1 51 . 1 . 1 19 19 ASP C C 13 175.363 0 . . . . . . . 17 D CO . 50526 1 52 . 1 . 1 19 19 ASP CA C 13 55.066 0 . . . . . . . 17 D CA . 50526 1 53 . 1 . 1 19 19 ASP CB C 13 38.825 0 . . . . . . . 17 D CB . 50526 1 54 . 1 . 1 19 19 ASP N N 15 114.042 0.018 . . . . . . . 17 D N . 50526 1 55 . 1 . 1 20 20 LEU H H 1 8.104 0.001 . . . . . . . 18 L HN . 50526 1 56 . 1 . 1 20 20 LEU C C 13 177.875 0 . . . . . . . 18 L CO . 50526 1 57 . 1 . 1 20 20 LEU CA C 13 53.757 0 . . . . . . . 18 L CA . 50526 1 58 . 1 . 1 20 20 LEU CB C 13 43.197 0 . . . . . . . 18 L CB . 50526 1 59 . 1 . 1 20 20 LEU N N 15 114.563 0.016 . . . . . . . 18 L N . 50526 1 60 . 1 . 1 21 21 HIS H H 1 9.315 0.003 . . . . . . . 19 H HN . 50526 1 61 . 1 . 1 21 21 HIS C C 13 175.448 0 . . . . . . . 19 H CO . 50526 1 62 . 1 . 1 21 21 HIS CA C 13 56.19 0 . . . . . . . 19 H CA . 50526 1 63 . 1 . 1 21 21 HIS CB C 13 31.828 0 . . . . . . . 19 H CB . 50526 1 64 . 1 . 1 21 21 HIS N N 15 125.9 0.012 . . . . . . . 19 H N . 50526 1 65 . 1 . 1 23 23 ASP H H 1 11.034 0.009 . . . . . . . 21 D HN . 50526 1 66 . 1 . 1 23 23 ASP C C 13 176.78 0 . . . . . . . 21 D CO . 50526 1 67 . 1 . 1 23 23 ASP CA C 13 54.510 0.012 . . . . . . . 21 D CA . 50526 1 68 . 1 . 1 23 23 ASP CB C 13 40.344 0.023 . . . . . . . 21 D CB . 50526 1 69 . 1 . 1 23 23 ASP N N 15 120.537 0.019 . . . . . . . 21 D N . 50526 1 70 . 1 . 1 24 24 VAL H H 1 7.857 0.001 . . . . . . . 22 V HN . 50526 1 71 . 1 . 1 24 24 VAL C C 13 176.383 0 . . . . . . . 22 V CO . 50526 1 72 . 1 . 1 24 24 VAL CA C 13 64.557 0.026 . . . . . . . 22 V CA . 50526 1 73 . 1 . 1 24 24 VAL CB C 13 30.688 0.042 . . . . . . . 22 V CB . 50526 1 74 . 1 . 1 24 24 VAL N N 15 119.834 0.020 . . . . . . . 22 V N . 50526 1 75 . 1 . 1 25 25 THR H H 1 7.511 0.002 . . . . . . . 23 T HN . 50526 1 76 . 1 . 1 25 25 THR C C 13 174.93 0 . . . . . . . 23 T CO . 50526 1 77 . 1 . 1 25 25 THR CA C 13 59.643 0 . . . . . . . 23 T CA . 50526 1 78 . 1 . 1 25 25 THR CB C 13 72.505 0 . . . . . . . 23 T CB . 50526 1 79 . 1 . 1 25 25 THR N N 15 118.32 0.01 . . . . . . . 23 T N . 50526 1 80 . 1 . 1 26 26 GLU H H 1 9.953 0.004 . . . . . . . 24 E HN . 50526 1 81 . 1 . 1 26 26 GLU C C 13 178.232 0 . . . . . . . 24 E CO . 50526 1 82 . 1 . 1 26 26 GLU CA C 13 62.323 0 . . . . . . . 24 E CA . 50526 1 83 . 1 . 1 26 26 GLU CB C 13 28.255 0 . . . . . . . 24 E CB . 50526 1 84 . 1 . 1 26 26 GLU N N 15 121.12 0.003 . . . . . . . 24 E N . 50526 1 85 . 1 . 1 27 27 ALA H H 1 8.418 0.001 . . . . . . . 25 A HN . 50526 1 86 . 1 . 1 27 27 ALA C C 13 180.86 0 . . . . . . . 25 A CO . 50526 1 87 . 1 . 1 27 27 ALA CA C 13 55.514 0 . . . . . . . 25 A CA . 50526 1 88 . 1 . 1 27 27 ALA CB C 13 18.117 0 . . . . . . . 25 A CB . 50526 1 89 . 1 . 1 27 27 ALA N N 15 120.163 0.006 . . . . . . . 25 A N . 50526 1 90 . 1 . 1 28 28 MET H H 1 7.55 0.001 . . . . . . . 26 M HN . 50526 1 91 . 1 . 1 28 28 MET C C 13 179.747 0 . . . . . . . 26 M CO . 50526 1 92 . 1 . 1 28 28 MET CA C 13 58.973 0 . . . . . . . 26 M CA . 50526 1 93 . 1 . 1 28 28 MET CB C 13 33.599 0 . . . . . . . 26 M CB . 50526 1 94 . 1 . 1 28 28 MET N N 15 117.963 0.007 . . . . . . . 26 M N . 50526 1 95 . 1 . 1 29 29 LEU H H 1 7.86 0.001 . . . . . . . 27 L HN . 50526 1 96 . 1 . 1 29 29 LEU C C 13 178.327 0 . . . . . . . 27 L CO . 50526 1 97 . 1 . 1 29 29 LEU CA C 13 57.638 0 . . . . . . . 27 L CA . 50526 1 98 . 1 . 1 29 29 LEU CB C 13 41.899 0 . . . . . . . 27 L CB . 50526 1 99 . 1 . 1 29 29 LEU N N 15 119.551 0.011 . . . . . . . 27 L N . 50526 1 100 . 1 . 1 30 30 TYR H H 1 9.045 0.002 . . . . . . . 28 Y HN . 50526 1 101 . 1 . 1 30 30 TYR C C 13 178.786 0 . . . . . . . 28 Y CO . 50526 1 102 . 1 . 1 30 30 TYR CA C 13 63.327 0 . . . . . . . 28 Y CA . 50526 1 103 . 1 . 1 30 30 TYR CB C 13 38.017 0 . . . . . . . 28 Y CB . 50526 1 104 . 1 . 1 30 30 TYR N N 15 122.777 0.008 . . . . . . . 28 Y N . 50526 1 105 . 1 . 1 31 31 GLU H H 1 7.883 0.002 . . . . . . . 29 E HN . 50526 1 106 . 1 . 1 31 31 GLU C C 13 177.786 0 . . . . . . . 29 E CO . 50526 1 107 . 1 . 1 31 31 GLU CA C 13 59.405 0 . . . . . . . 29 E CA . 50526 1 108 . 1 . 1 31 31 GLU CB C 13 29.432 0 . . . . . . . 29 E CB . 50526 1 109 . 1 . 1 31 31 GLU N N 15 119.576 0.008 . . . . . . . 29 E N . 50526 1 110 . 1 . 1 32 32 LYS H H 1 7.355 0.003 . . . . . . . 30 K HN . 50526 1 111 . 1 . 1 32 32 LYS C C 13 176.697 0 . . . . . . . 30 K CO . 50526 1 112 . 1 . 1 32 32 LYS CA C 13 57.584 0 . . . . . . . 30 K CA . 50526 1 113 . 1 . 1 32 32 LYS CB C 13 32.155 0 . . . . . . . 30 K CB . 50526 1 114 . 1 . 1 32 32 LYS N N 15 116.133 0.006 . . . . . . . 30 K N . 50526 1 115 . 1 . 1 33 33 PHE H H 1 8.377 0.002 . . . . . . . 31 F HN . 50526 1 116 . 1 . 1 33 33 PHE C C 13 176.246 0 . . . . . . . 31 F CO . 50526 1 117 . 1 . 1 33 33 PHE CA C 13 61.257 0 . . . . . . . 31 F CA . 50526 1 118 . 1 . 1 33 33 PHE CB C 13 39.94 0 . . . . . . . 31 F CB . 50526 1 119 . 1 . 1 33 33 PHE N N 15 111.93 0.002 . . . . . . . 31 F N . 50526 1 120 . 1 . 1 34 34 SER H H 1 8.264 0.001 . . . . . . . 32 S HN . 50526 1 121 . 1 . 1 34 34 SER C C 13 174.19 0 . . . . . . . 32 S CO . 50526 1 122 . 1 . 1 34 34 SER CA C 13 62.82 0 . . . . . . . 32 S CA . 50526 1 123 . 1 . 1 34 34 SER N N 15 117.108 0.018 . . . . . . . 32 S N . 50526 1 124 . 1 . 1 36 36 ALA H H 1 7.986 0.001 . . . . . . . 34 A HN . 50526 1 125 . 1 . 1 36 36 ALA C C 13 176.599 0 . . . . . . . 34 A CO . 50526 1 126 . 1 . 1 36 36 ALA CA C 13 53.712 0 . . . . . . . 34 A CA . 50526 1 127 . 1 . 1 36 36 ALA CB C 13 18.311 0 . . . . . . . 34 A CB . 50526 1 128 . 1 . 1 36 36 ALA N N 15 116.691 0.007 . . . . . . . 34 A N . 50526 1 129 . 1 . 1 37 37 GLY H H 1 7.565 0.001 . . . . . . . 35 G HN . 50526 1 130 . 1 . 1 37 37 GLY C C 13 169.944 0 . . . . . . . 35 G CO . 50526 1 131 . 1 . 1 37 37 GLY CA C 13 44.557 0 . . . . . . . 35 G CA . 50526 1 132 . 1 . 1 37 37 GLY N N 15 104.961 0.005 . . . . . . . 35 G N . 50526 1 133 . 1 . 1 38 38 PRO N N 15 126.13 0 . . . . . . . 36 P N . 50526 1 134 . 1 . 1 39 39 ILE H H 1 8.615 0 . . . . . . . 37 I HN . 50526 1 135 . 1 . 1 39 39 ILE C C 13 176.424 0 . . . . . . . 37 I CO . 50526 1 136 . 1 . 1 39 39 ILE CA C 13 60.562 0 . . . . . . . 37 I CA . 50526 1 137 . 1 . 1 39 39 ILE CB C 13 40.698 0 . . . . . . . 37 I CB . 50526 1 138 . 1 . 1 39 39 ILE N N 15 126.113 0.016 . . . . . . . 37 I N . 50526 1 139 . 1 . 1 40 40 LEU H H 1 9.065 0.002 . . . . . . . 38 L HN . 50526 1 140 . 1 . 1 40 40 LEU C C 13 177.061 0 . . . . . . . 38 L CO . 50526 1 141 . 1 . 1 40 40 LEU CA C 13 56.48 0 . . . . . . . 38 L CA . 50526 1 142 . 1 . 1 40 40 LEU CB C 13 43.3 0 . . . . . . . 38 L CB . 50526 1 143 . 1 . 1 40 40 LEU N N 15 127.87 0.021 . . . . . . . 38 L N . 50526 1 144 . 1 . 1 41 41 SER H H 1 7.559 0.001 . . . . . . . 39 S HN . 50526 1 145 . 1 . 1 41 41 SER C C 13 171.57 0 . . . . . . . 39 S CO . 50526 1 146 . 1 . 1 41 41 SER CA C 13 57.939 0 . . . . . . . 39 S CA . 50526 1 147 . 1 . 1 41 41 SER CB C 13 64.728 0 . . . . . . . 39 S CB . 50526 1 148 . 1 . 1 41 41 SER N N 15 109.565 0.008 . . . . . . . 39 S N . 50526 1 149 . 1 . 1 42 42 ILE H H 1 8.192 0.001 . . . . . . . 40 I HN . 50526 1 150 . 1 . 1 42 42 ILE C C 13 174.136 0 . . . . . . . 40 I CO . 50526 1 151 . 1 . 1 42 42 ILE CA C 13 60.823 0 . . . . . . . 40 I CA . 50526 1 152 . 1 . 1 42 42 ILE CB C 13 42.183 0 . . . . . . . 40 I CB . 50526 1 153 . 1 . 1 42 42 ILE N N 15 119.831 0.011 . . . . . . . 40 I N . 50526 1 154 . 1 . 1 43 43 ARG H H 1 8.651 0.002 . . . . . . . 41 R HN . 50526 1 155 . 1 . 1 43 43 ARG C C 13 175.185 0 . . . . . . . 41 R CO . 50526 1 156 . 1 . 1 43 43 ARG CA C 13 54.811 0 . . . . . . . 41 R CA . 50526 1 157 . 1 . 1 43 43 ARG CB C 13 33.87 0 . . . . . . . 41 R CB . 50526 1 158 . 1 . 1 43 43 ARG N N 15 125.663 0.007 . . . . . . . 41 R N . 50526 1 159 . 1 . 1 44 44 VAL H H 1 8.869 0.001 . . . . . . . 42 V HN . 50526 1 160 . 1 . 1 44 44 VAL C C 13 175.957 0 . . . . . . . 42 V CO . 50526 1 161 . 1 . 1 44 44 VAL CA C 13 62.619 0 . . . . . . . 42 V CA . 50526 1 162 . 1 . 1 44 44 VAL CB C 13 31.855 0 . . . . . . . 42 V CB . 50526 1 163 . 1 . 1 44 44 VAL N N 15 127.045 0.007 . . . . . . . 42 V N . 50526 1 164 . 1 . 1 45 45 CYS H H 1 8.445 0.001 . . . . . . . 43 C HN . 50526 1 165 . 1 . 1 45 45 CYS C C 13 173.378 0 . . . . . . . 43 C CO . 50526 1 166 . 1 . 1 45 45 CYS CA C 13 60.613 0 . . . . . . . 43 C CA . 50526 1 167 . 1 . 1 45 45 CYS CB C 13 27.243 0 . . . . . . . 43 C CB . 50526 1 168 . 1 . 1 45 45 CYS N N 15 128.997 0.005 . . . . . . . 43 C N . 50526 1 169 . 1 . 1 46 46 ARG H H 1 8.216 0.002 . . . . . . . 44 R HN . 50526 1 170 . 1 . 1 46 46 ARG C C 13 175.545 0 . . . . . . . 44 R CO . 50526 1 171 . 1 . 1 46 46 ARG CA C 13 54.434 0 . . . . . . . 44 R CA . 50526 1 172 . 1 . 1 46 46 ARG CB C 13 34.274 0 . . . . . . . 44 R CB . 50526 1 173 . 1 . 1 46 46 ARG N N 15 122.411 0.009 . . . . . . . 44 R N . 50526 1 174 . 1 . 1 47 47 ASP H H 1 8.503 0.001 . . . . . . . 45 D HN . 50526 1 175 . 1 . 1 47 47 ASP C C 13 178.201 0 . . . . . . . 45 D CO . 50526 1 176 . 1 . 1 47 47 ASP CA C 13 54.535 0 . . . . . . . 45 D CA . 50526 1 177 . 1 . 1 47 47 ASP CB C 13 43.598 0 . . . . . . . 45 D CB . 50526 1 178 . 1 . 1 47 47 ASP N N 15 122.345 0.009 . . . . . . . 45 D N . 50526 1 179 . 1 . 1 48 48 MET H H 1 8.932 0.002 . . . . . . . 46 M HN . 50526 1 180 . 1 . 1 48 48 MET C C 13 176.555 0 . . . . . . . 46 M CO . 50526 1 181 . 1 . 1 48 48 MET CA C 13 57.813 0 . . . . . . . 46 M CA . 50526 1 182 . 1 . 1 48 48 MET CB C 13 32.291 0 . . . . . . . 46 M CB . 50526 1 183 . 1 . 1 48 48 MET N N 15 125.948 0.012 . . . . . . . 46 M N . 50526 1 184 . 1 . 1 49 49 ILE H H 1 8.536 0.002 . . . . . . . 47 I HN . 50526 1 185 . 1 . 1 49 49 ILE C C 13 178.277 0 . . . . . . . 47 I CO . 50526 1 186 . 1 . 1 49 49 ILE CA C 13 62.769 0.077 . . . . . . . 47 I CA . 50526 1 187 . 1 . 1 49 49 ILE CB C 13 37.453 0.025 . . . . . . . 47 I CB . 50526 1 188 . 1 . 1 49 49 ILE N N 15 118.535 0.002 . . . . . . . 47 I N . 50526 1 189 . 1 . 1 50 50 THR H H 1 8.722 0 . . . . . . . 48 T HN . 50526 1 190 . 1 . 1 50 50 THR C C 13 176.271 0 . . . . . . . 48 T CO . 50526 1 191 . 1 . 1 50 50 THR CA C 13 62.788 0 . . . . . . . 48 T CA . 50526 1 192 . 1 . 1 50 50 THR CB C 13 70.636 0 . . . . . . . 48 T CB . 50526 1 193 . 1 . 1 50 50 THR N N 15 109.62 0.008 . . . . . . . 48 T N . 50526 1 194 . 1 . 1 51 51 ARG H H 1 7.868 0.001 . . . . . . . 49 R HN . 50526 1 195 . 1 . 1 51 51 ARG C C 13 174.776 0 . . . . . . . 49 R CO . 50526 1 196 . 1 . 1 51 51 ARG CA C 13 57.619 0 . . . . . . . 49 R CA . 50526 1 197 . 1 . 1 51 51 ARG CB C 13 26.658 0 . . . . . . . 49 R CB . 50526 1 198 . 1 . 1 51 51 ARG N N 15 113.681 0.009 . . . . . . . 49 R N . 50526 1 199 . 1 . 1 52 52 ARG H H 1 7.768 0.001 . . . . . . . 50 R HN . 50526 1 200 . 1 . 1 52 52 ARG C C 13 176.274 0 . . . . . . . 50 R CO . 50526 1 201 . 1 . 1 52 52 ARG CA C 13 56.062 0 . . . . . . . 50 R CA . 50526 1 202 . 1 . 1 52 52 ARG CB C 13 31.046 0 . . . . . . . 50 R CB . 50526 1 203 . 1 . 1 52 52 ARG N N 15 119.942 0.002 . . . . . . . 50 R N . 50526 1 204 . 1 . 1 53 53 SER H H 1 8.881 0.002 . . . . . . . 51 S HN . 50526 1 205 . 1 . 1 53 53 SER C C 13 176.136 0 . . . . . . . 51 S CO . 50526 1 206 . 1 . 1 53 53 SER CA C 13 58.452 0 . . . . . . . 51 S CA . 50526 1 207 . 1 . 1 53 53 SER CB C 13 64.265 0 . . . . . . . 51 S CB . 50526 1 208 . 1 . 1 53 53 SER N N 15 116.374 0.008 . . . . . . . 51 S N . 50526 1 209 . 1 . 1 54 54 LEU H H 1 9.106 0.003 . . . . . . . 52 L HN . 50526 1 210 . 1 . 1 54 54 LEU C C 13 177.889 0 . . . . . . . 52 L CO . 50526 1 211 . 1 . 1 54 54 LEU CA C 13 54.501 0 . . . . . . . 52 L CA . 50526 1 212 . 1 . 1 54 54 LEU CB C 13 42.153 0 . . . . . . . 52 L CB . 50526 1 213 . 1 . 1 54 54 LEU N N 15 126.293 0.008 . . . . . . . 52 L N . 50526 1 214 . 1 . 1 55 55 GLY H H 1 9.008 0.002 . . . . . . . 53 G HN . 50526 1 215 . 1 . 1 55 55 GLY C C 13 172.375 0 . . . . . . . 53 G CO . 50526 1 216 . 1 . 1 55 55 GLY CA C 13 45.478 0 . . . . . . . 53 G CA . 50526 1 217 . 1 . 1 55 55 GLY N N 15 106.653 0.006 . . . . . . . 53 G N . 50526 1 218 . 1 . 1 56 56 TYR H H 1 6.902 0.002 . . . . . . . 54 Y HN . 50526 1 219 . 1 . 1 56 56 TYR C C 13 171.942 0 . . . . . . . 54 Y CO . 50526 1 220 . 1 . 1 56 56 TYR CA C 13 54.972 0 . . . . . . . 54 Y CA . 50526 1 221 . 1 . 1 56 56 TYR CB C 13 40.13 0 . . . . . . . 54 Y CB . 50526 1 222 . 1 . 1 56 56 TYR N N 15 112.582 0.006 . . . . . . . 54 Y N . 50526 1 223 . 1 . 1 57 57 ALA H H 1 8.685 0.001 . . . . . . . 55 A HN . 50526 1 224 . 1 . 1 57 57 ALA C C 13 174.114 0 . . . . . . . 55 A CO . 50526 1 225 . 1 . 1 57 57 ALA CA C 13 49.571 0.046 . . . . . . . 55 A CA . 50526 1 226 . 1 . 1 57 57 ALA CB C 13 25.816 0.018 . . . . . . . 55 A CB . 50526 1 227 . 1 . 1 57 57 ALA N N 15 120.44 0.006 . . . . . . . 55 A N . 50526 1 228 . 1 . 1 58 58 TYR H H 1 8.406 0.002 . . . . . . . 56 Y HN . 50526 1 229 . 1 . 1 58 58 TYR C C 13 175.63 0 . . . . . . . 56 Y CO . 50526 1 230 . 1 . 1 58 58 TYR CA C 13 56.812 0.071 . . . . . . . 56 Y CA . 50526 1 231 . 1 . 1 58 58 TYR CB C 13 41.236 0.016 . . . . . . . 56 Y CB . 50526 1 232 . 1 . 1 58 58 TYR N N 15 114.979 0.028 . . . . . . . 56 Y N . 50526 1 233 . 1 . 1 59 59 VAL H H 1 8.96 0.001 . . . . . . . 57 V HN . 50526 1 234 . 1 . 1 59 59 VAL C C 13 173.423 0 . . . . . . . 57 V CO . 50526 1 235 . 1 . 1 59 59 VAL CA C 13 61.566 0 . . . . . . . 57 V CA . 50526 1 236 . 1 . 1 59 59 VAL CB C 13 33.623 0 . . . . . . . 57 V CB . 50526 1 237 . 1 . 1 59 59 VAL N N 15 122.831 0.008 . . . . . . . 57 V N . 50526 1 238 . 1 . 1 60 60 ASN H H 1 8.688 0.001 . . . . . . . 58 N HN . 50526 1 239 . 1 . 1 60 60 ASN C C 13 174.667 0 . . . . . . . 58 N CO . 50526 1 240 . 1 . 1 60 60 ASN CA C 13 52.213 0 . . . . . . . 58 N CA . 50526 1 241 . 1 . 1 60 60 ASN CB C 13 39.063 0 . . . . . . . 58 N CB . 50526 1 242 . 1 . 1 60 60 ASN N N 15 125.289 0.011 . . . . . . . 58 N N . 50526 1 243 . 1 . 1 61 61 PHE H H 1 9.003 0.002 . . . . . . . 59 F HN . 50526 1 244 . 1 . 1 61 61 PHE C C 13 174.594 0 . . . . . . . 59 F CO . 50526 1 245 . 1 . 1 61 61 PHE CA C 13 59.52 0 . . . . . . . 59 F CA . 50526 1 246 . 1 . 1 61 61 PHE CB C 13 39.968 0 . . . . . . . 59 F CB . 50526 1 247 . 1 . 1 61 61 PHE N N 15 124.561 0.007 . . . . . . . 59 F N . 50526 1 248 . 1 . 1 62 62 GLN H H 1 8.084 0.001 . . . . . . . 60 Q HN . 50526 1 249 . 1 . 1 62 62 GLN C C 13 176.533 0 . . . . . . . 60 Q CO . 50526 1 250 . 1 . 1 62 62 GLN CA C 13 59.283 0 . . . . . . . 60 Q CA . 50526 1 251 . 1 . 1 62 62 GLN CB C 13 29.632 0 . . . . . . . 60 Q CB . 50526 1 252 . 1 . 1 62 62 GLN N N 15 118.54 0.013 . . . . . . . 60 Q N . 50526 1 253 . 1 . 1 63 63 GLN H H 1 9.575 0.003 . . . . . . . 61 Q HN . 50526 1 254 . 1 . 1 63 63 GLN C C 13 175.615 0 . . . . . . . 61 Q CO . 50526 1 255 . 1 . 1 63 63 GLN CA C 13 51.809 0 . . . . . . . 61 Q CA . 50526 1 256 . 1 . 1 63 63 GLN CB C 13 29.46 0 . . . . . . . 61 Q CB . 50526 1 257 . 1 . 1 63 63 GLN N N 15 115.752 0.009 . . . . . . . 61 Q N . 50526 1 258 . 1 . 1 65 65 ALA H H 1 8.658 0.001 . . . . . . . 63 A HN . 50526 1 259 . 1 . 1 65 65 ALA C C 13 180.036 0 . . . . . . . 63 A CO . 50526 1 260 . 1 . 1 65 65 ALA CA C 13 54.928 0 . . . . . . . 63 A CA . 50526 1 261 . 1 . 1 65 65 ALA CB C 13 18.55 0 . . . . . . . 63 A CB . 50526 1 262 . 1 . 1 65 65 ALA N N 15 117.153 0.002 . . . . . . . 63 A N . 50526 1 263 . 1 . 1 66 66 ASP H H 1 7.139 0.004 . . . . . . . 64 D HN . 50526 1 264 . 1 . 1 66 66 ASP C C 13 176.56 0 . . . . . . . 64 D CO . 50526 1 265 . 1 . 1 66 66 ASP CA C 13 56.157 0 . . . . . . . 64 D CA . 50526 1 266 . 1 . 1 66 66 ASP CB C 13 39.83 0 . . . . . . . 64 D CB . 50526 1 267 . 1 . 1 66 66 ASP N N 15 119.481 0.004 . . . . . . . 64 D N . 50526 1 268 . 1 . 1 67 67 ALA H H 1 6.811 0.003 . . . . . . . 65 A HN . 50526 1 269 . 1 . 1 67 67 ALA C C 13 178.448 0 . . . . . . . 65 A CO . 50526 1 270 . 1 . 1 67 67 ALA CA C 13 54.357 0 . . . . . . . 65 A CA . 50526 1 271 . 1 . 1 67 67 ALA CB C 13 18.106 0 . . . . . . . 65 A CB . 50526 1 272 . 1 . 1 67 67 ALA N N 15 122.1 0.004 . . . . . . . 65 A N . 50526 1 273 . 1 . 1 68 68 GLU H H 1 8.261 0.002 . . . . . . . 66 E HN . 50526 1 274 . 1 . 1 68 68 GLU C C 13 177.342 0 . . . . . . . 66 E CO . 50526 1 275 . 1 . 1 68 68 GLU CA C 13 59.264 0 . . . . . . . 66 E CA . 50526 1 276 . 1 . 1 68 68 GLU CB C 13 29.129 0 . . . . . . . 66 E CB . 50526 1 277 . 1 . 1 68 68 GLU N N 15 116.691 0.005 . . . . . . . 66 E N . 50526 1 278 . 1 . 1 69 69 ARG H H 1 7.498 0.002 . . . . . . . 67 R HN . 50526 1 279 . 1 . 1 69 69 ARG C C 13 179.891 0 . . . . . . . 67 R CO . 50526 1 280 . 1 . 1 69 69 ARG CA C 13 59.316 0 . . . . . . . 67 R CA . 50526 1 281 . 1 . 1 69 69 ARG CB C 13 29.618 0 . . . . . . . 67 R CB . 50526 1 282 . 1 . 1 69 69 ARG N N 15 118.837 0.008 . . . . . . . 67 R N . 50526 1 283 . 1 . 1 70 70 ALA H H 1 7.951 0.001 . . . . . . . 68 A HN . 50526 1 284 . 1 . 1 70 70 ALA C C 13 178.182 0 . . . . . . . 68 A CO . 50526 1 285 . 1 . 1 70 70 ALA CA C 13 55.867 0 . . . . . . . 68 A CA . 50526 1 286 . 1 . 1 70 70 ALA CB C 13 18.285 0 . . . . . . . 68 A CB . 50526 1 287 . 1 . 1 70 70 ALA N N 15 124.152 0.008 . . . . . . . 68 A N . 50526 1 288 . 1 . 1 71 71 LEU H H 1 7.926 0.001 . . . . . . . 69 L HN . 50526 1 289 . 1 . 1 71 71 LEU C C 13 178.279 0 . . . . . . . 69 L CO . 50526 1 290 . 1 . 1 71 71 LEU CA C 13 59.127 0 . . . . . . . 69 L CA . 50526 1 291 . 1 . 1 71 71 LEU CB C 13 41.727 0 . . . . . . . 69 L CB . 50526 1 292 . 1 . 1 71 71 LEU N N 15 119.266 0.016 . . . . . . . 69 L N . 50526 1 293 . 1 . 1 72 72 ASP H H 1 8.282 0.001 . . . . . . . 70 D HN . 50526 1 294 . 1 . 1 72 72 ASP C C 13 178.304 0 . . . . . . . 70 D CO . 50526 1 295 . 1 . 1 72 72 ASP CA C 13 56.315 0 . . . . . . . 70 D CA . 50526 1 296 . 1 . 1 72 72 ASP CB C 13 40.968 0 . . . . . . . 70 D CB . 50526 1 297 . 1 . 1 72 72 ASP N N 15 114.98 0.007 . . . . . . . 70 D N . 50526 1 298 . 1 . 1 73 73 THR H H 1 7.892 0.001 . . . . . . . 71 T HN . 50526 1 299 . 1 . 1 73 73 THR C C 13 176.417 0 . . . . . . . 71 T CO . 50526 1 300 . 1 . 1 73 73 THR CA C 13 63.093 0 . . . . . . . 71 T CA . 50526 1 301 . 1 . 1 73 73 THR CB C 13 71.676 0 . . . . . . . 71 T CB . 50526 1 302 . 1 . 1 73 73 THR N N 15 106.535 0.006 . . . . . . . 71 T N . 50526 1 303 . 1 . 1 74 74 MET H H 1 8.191 0.005 . . . . . . . 72 M HN . 50526 1 304 . 1 . 1 74 74 MET C C 13 175.323 0 . . . . . . . 72 M CO . 50526 1 305 . 1 . 1 74 74 MET CA C 13 55.773 0 . . . . . . . 72 M CA . 50526 1 306 . 1 . 1 74 74 MET CB C 13 33.152 0 . . . . . . . 72 M CB . 50526 1 307 . 1 . 1 74 74 MET N N 15 119.345 0.017 . . . . . . . 72 M N . 50526 1 308 . 1 . 1 75 75 ASN H H 1 7.206 0.006 . . . . . . . 73 N HN . 50526 1 309 . 1 . 1 75 75 ASN C C 13 176.608 0 . . . . . . . 73 N CO . 50526 1 310 . 1 . 1 75 75 ASN CA C 13 54.516 0 . . . . . . . 73 N CA . 50526 1 311 . 1 . 1 75 75 ASN CB C 13 37.307 0 . . . . . . . 73 N CB . 50526 1 312 . 1 . 1 75 75 ASN N N 15 117.796 0.008 . . . . . . . 73 N N . 50526 1 313 . 1 . 1 76 76 PHE H H 1 8.047 0.001 . . . . . . . 74 F HN . 50526 1 314 . 1 . 1 76 76 PHE C C 13 174.749 0 . . . . . . . 74 F CO . 50526 1 315 . 1 . 1 76 76 PHE CA C 13 59.414 0 . . . . . . . 74 F CA . 50526 1 316 . 1 . 1 76 76 PHE CB C 13 36.941 0 . . . . . . . 74 F CB . 50526 1 317 . 1 . 1 76 76 PHE N N 15 118.786 0.021 . . . . . . . 74 F N . 50526 1 318 . 1 . 1 77 77 ASP H H 1 7.935 0.001 . . . . . . . 75 D HN . 50526 1 319 . 1 . 1 77 77 ASP C C 13 175.85 0 . . . . . . . 75 D CO . 50526 1 320 . 1 . 1 77 77 ASP CA C 13 54.816 0 . . . . . . . 75 D CA . 50526 1 321 . 1 . 1 77 77 ASP CB C 13 40.249 0 . . . . . . . 75 D CB . 50526 1 322 . 1 . 1 77 77 ASP N N 15 120.862 0.009 . . . . . . . 75 D N . 50526 1 323 . 1 . 1 78 78 VAL H H 1 8.311 0.002 . . . . . . . 76 V HN . 50526 1 324 . 1 . 1 78 78 VAL C C 13 176.807 0 . . . . . . . 76 V CO . 50526 1 325 . 1 . 1 78 78 VAL CA C 13 62.922 0 . . . . . . . 76 V CA . 50526 1 326 . 1 . 1 78 78 VAL CB C 13 32.182 0 . . . . . . . 76 V CB . 50526 1 327 . 1 . 1 78 78 VAL N N 15 119.287 0.008 . . . . . . . 76 V N . 50526 1 328 . 1 . 1 79 79 ILE H H 1 8.244 0.002 . . . . . . . 77 I HN . 50526 1 329 . 1 . 1 79 79 ILE C C 13 175.952 0 . . . . . . . 77 I CO . 50526 1 330 . 1 . 1 79 79 ILE CA C 13 61.409 0 . . . . . . . 77 I CA . 50526 1 331 . 1 . 1 79 79 ILE CB C 13 39.994 0 . . . . . . . 77 I CB . 50526 1 332 . 1 . 1 79 79 ILE N N 15 126.294 0.014 . . . . . . . 77 I N . 50526 1 333 . 1 . 1 80 80 LYS H H 1 9.572 0.003 . . . . . . . 78 K HN . 50526 1 334 . 1 . 1 80 80 LYS C C 13 175.97 0 . . . . . . . 78 K CO . 50526 1 335 . 1 . 1 80 80 LYS CA C 13 56.709 0 . . . . . . . 78 K CA . 50526 1 336 . 1 . 1 80 80 LYS CB C 13 29.869 0 . . . . . . . 78 K CB . 50526 1 337 . 1 . 1 80 80 LYS N N 15 129.505 0.021 . . . . . . . 78 K N . 50526 1 338 . 1 . 1 81 81 GLY H H 1 8.008 0.001 . . . . . . . 79 G HN . 50526 1 339 . 1 . 1 81 81 GLY C C 13 173.959 0 . . . . . . . 79 G CO . 50526 1 340 . 1 . 1 81 81 GLY CA C 13 45.449 0 . . . . . . . 79 G CA . 50526 1 341 . 1 . 1 81 81 GLY N N 15 100.915 0.025 . . . . . . . 79 G N . 50526 1 342 . 1 . 1 82 82 LYS H H 1 7.713 0 . . . . . . . 80 K HN . 50526 1 343 . 1 . 1 82 82 LYS C C 13 174.104 0 . . . . . . . 80 K CO . 50526 1 344 . 1 . 1 82 82 LYS CA C 13 52.793 0 . . . . . . . 80 K CA . 50526 1 345 . 1 . 1 82 82 LYS CB C 13 34.554 0 . . . . . . . 80 K CB . 50526 1 346 . 1 . 1 82 82 LYS N N 15 121.754 0.008 . . . . . . . 80 K N . 50526 1 347 . 1 . 1 84 84 VAL H H 1 8.803 0.003 . . . . . . . 82 V HN . 50526 1 348 . 1 . 1 84 84 VAL C C 13 174.273 0 . . . . . . . 82 V CO . 50526 1 349 . 1 . 1 84 84 VAL CA C 13 60.912 0 . . . . . . . 82 V CA . 50526 1 350 . 1 . 1 84 84 VAL CB C 13 32.855 0 . . . . . . . 82 V CB . 50526 1 351 . 1 . 1 84 84 VAL N N 15 123.059 0.061 . . . . . . . 82 V N . 50526 1 352 . 1 . 1 85 85 ARG H H 1 7.667 0.002 . . . . . . . 83 R HN . 50526 1 353 . 1 . 1 85 85 ARG C C 13 174.78 0 . . . . . . . 83 R CO . 50526 1 354 . 1 . 1 85 85 ARG CA C 13 54.197 0 . . . . . . . 83 R CA . 50526 1 355 . 1 . 1 85 85 ARG CB C 13 32.298 0 . . . . . . . 83 R CB . 50526 1 356 . 1 . 1 85 85 ARG N N 15 122.879 0.016 . . . . . . . 83 R N . 50526 1 357 . 1 . 1 86 86 ILE H H 1 8.73 0.002 . . . . . . . 84 I HN . 50526 1 358 . 1 . 1 86 86 ILE C C 13 174.842 0 . . . . . . . 84 I CO . 50526 1 359 . 1 . 1 86 86 ILE CA C 13 60.293 0 . . . . . . . 84 I CA . 50526 1 360 . 1 . 1 86 86 ILE CB C 13 39.851 0 . . . . . . . 84 I CB . 50526 1 361 . 1 . 1 86 86 ILE N N 15 125.217 0.028 . . . . . . . 84 I N . 50526 1 362 . 1 . 1 87 87 MET H H 1 9.205 0.002 . . . . . . . 85 M HN . 50526 1 363 . 1 . 1 87 87 MET C C 13 174.547 0 . . . . . . . 85 M CO . 50526 1 364 . 1 . 1 87 87 MET CA C 13 54.231 0 . . . . . . . 85 M CA . 50526 1 365 . 1 . 1 87 87 MET CB C 13 37.181 0 . . . . . . . 85 M CB . 50526 1 366 . 1 . 1 87 87 MET N N 15 123.262 0.003 . . . . . . . 85 M N . 50526 1 367 . 1 . 1 88 88 TRP H H 1 8.588 0.001 . . . . . . . 86 W HN . 50526 1 368 . 1 . 1 88 88 TRP C C 13 177.579 0 . . . . . . . 86 W CO . 50526 1 369 . 1 . 1 88 88 TRP CA C 13 58.662 0 . . . . . . . 86 W CA . 50526 1 370 . 1 . 1 88 88 TRP CB C 13 29.973 0 . . . . . . . 86 W CB . 50526 1 371 . 1 . 1 88 88 TRP N N 15 121.742 0.024 . . . . . . . 86 W N . 50526 1 372 . 1 . 1 89 89 SER H H 1 8.686 0.002 . . . . . . . 87 S HN . 50526 1 373 . 1 . 1 89 89 SER C C 13 174.738 0 . . . . . . . 87 S CO . 50526 1 374 . 1 . 1 89 89 SER CA C 13 59.147 0 . . . . . . . 87 S CA . 50526 1 375 . 1 . 1 89 89 SER CB C 13 63.765 0 . . . . . . . 87 S CB . 50526 1 376 . 1 . 1 89 89 SER N N 15 117.128 0.023 . . . . . . . 87 S N . 50526 1 377 . 1 . 1 90 90 GLN H H 1 8.543 0.001 . . . . . . . 88 Q HN . 50526 1 378 . 1 . 1 90 90 GLN C C 13 175.428 0 . . . . . . . 88 Q CO . 50526 1 379 . 1 . 1 90 90 GLN CA C 13 55.815 0.052 . . . . . . . 88 Q CA . 50526 1 380 . 1 . 1 90 90 GLN CB C 13 29.435 0.026 . . . . . . . 88 Q CB . 50526 1 381 . 1 . 1 90 90 GLN N N 15 121.836 0.023 . . . . . . . 88 Q N . 50526 1 382 . 1 . 1 91 91 ARG H H 1 8.195 0.001 . . . . . . . 89 R HN . 50526 1 383 . 1 . 1 91 91 ARG C C 13 175.389 0 . . . . . . . 89 R CO . 50526 1 384 . 1 . 1 91 91 ARG CA C 13 56.088 0 . . . . . . . 89 R CA . 50526 1 385 . 1 . 1 91 91 ARG CB C 13 30.968 0 . . . . . . . 89 R CB . 50526 1 386 . 1 . 1 91 91 ARG N N 15 121.323 0.006 . . . . . . . 89 R N . 50526 1 387 . 1 . 1 92 92 ASP H H 1 8.201 0.001 . . . . . . . 90 D HN . 50526 1 388 . 1 . 1 92 92 ASP C C 13 175.344 0 . . . . . . . 90 D CO . 50526 1 389 . 1 . 1 92 92 ASP CA C 13 51.996 0 . . . . . . . 90 D CA . 50526 1 390 . 1 . 1 92 92 ASP CB C 13 41.452 0 . . . . . . . 90 D CB . 50526 1 391 . 1 . 1 92 92 ASP N N 15 122.911 0.004 . . . . . . . 90 D N . 50526 1 392 . 1 . 1 94 94 SER H H 1 8.487 0 . . . . . . . 92 S HN . 50526 1 393 . 1 . 1 94 94 SER C C 13 174.846 0 . . . . . . . 92 S CO . 50526 1 394 . 1 . 1 94 94 SER CA C 13 59.659 0 . . . . . . . 92 S CA . 50526 1 395 . 1 . 1 94 94 SER CB C 13 63.363 0 . . . . . . . 92 S CB . 50526 1 396 . 1 . 1 94 94 SER N N 15 115.197 0.001 . . . . . . . 92 S N . 50526 1 397 . 1 . 1 95 95 LEU H H 1 7.714 0 . . . . . . . 93 L HN . 50526 1 398 . 1 . 1 95 95 LEU C C 13 177.231 0 . . . . . . . 93 L CO . 50526 1 399 . 1 . 1 95 95 LEU CA C 13 55.3 0 . . . . . . . 93 L CA . 50526 1 400 . 1 . 1 95 95 LEU CB C 13 41.917 0 . . . . . . . 93 L CB . 50526 1 401 . 1 . 1 95 95 LEU N N 15 122.544 0.005 . . . . . . . 93 L N . 50526 1 402 . 1 . 1 96 96 ARG H H 1 7.973 0.001 . . . . . . . 94 R HN . 50526 1 403 . 1 . 1 96 96 ARG C C 13 176.193 0 . . . . . . . 94 R CO . 50526 1 404 . 1 . 1 96 96 ARG CA C 13 56.135 0 . . . . . . . 94 R CA . 50526 1 405 . 1 . 1 96 96 ARG CB C 13 30.59 0 . . . . . . . 94 R CB . 50526 1 406 . 1 . 1 96 96 ARG N N 15 121.204 0.005 . . . . . . . 94 R N . 50526 1 407 . 1 . 1 97 97 LYS H H 1 8.267 0.002 . . . . . . . 95 K HN . 50526 1 408 . 1 . 1 97 97 LYS C C 13 176.46 0 . . . . . . . 95 K CO . 50526 1 409 . 1 . 1 97 97 LYS CA C 13 56.272 0 . . . . . . . 95 K CA . 50526 1 410 . 1 . 1 97 97 LYS CB C 13 32.963 0 . . . . . . . 95 K CB . 50526 1 411 . 1 . 1 97 97 LYS N N 15 122.475 0.002 . . . . . . . 95 K N . 50526 1 412 . 1 . 1 98 98 SER H H 1 8.327 0.001 . . . . . . . 96 S HN . 50526 1 413 . 1 . 1 98 98 SER C C 13 174.89 0 . . . . . . . 96 S CO . 50526 1 414 . 1 . 1 98 98 SER CA C 13 58.378 0 . . . . . . . 96 S CA . 50526 1 415 . 1 . 1 98 98 SER CB C 13 63.903 0 . . . . . . . 96 S CB . 50526 1 416 . 1 . 1 98 98 SER N N 15 116.839 0.003 . . . . . . . 96 S N . 50526 1 417 . 1 . 1 99 99 GLY H H 1 8.421 0.001 . . . . . . . 97 G HN . 50526 1 418 . 1 . 1 99 99 GLY CA C 13 45.36 0.007 . . . . . . . 97 G CA . 50526 1 419 . 1 . 1 99 99 GLY N N 15 110.932 0.003 . . . . . . . 97 G N . 50526 1 420 . 1 . 1 100 100 VAL H H 1 7.943 0.001 . . . . . . . 98 V HN . 50526 1 421 . 1 . 1 100 100 VAL C C 13 175.586 0 . . . . . . . 98 V CO . 50526 1 422 . 1 . 1 100 100 VAL CA C 13 62.003 0.024 . . . . . . . 98 V CA . 50526 1 423 . 1 . 1 100 100 VAL CB C 13 32.793 0 . . . . . . . 98 V CB . 50526 1 424 . 1 . 1 100 100 VAL N N 15 118.302 0.002 . . . . . . . 98 V N . 50526 1 425 . 1 . 1 101 101 GLY H H 1 8.043 0.001 . . . . . . . 99 G HN . 50526 1 426 . 1 . 1 101 101 GLY CA C 13 46.079 0.009 . . . . . . . 99 G CA . 50526 1 427 . 1 . 1 101 101 GLY N N 15 118.307 0.002 . . . . . . . 99 G N . 50526 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50526 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name BTG2(APRO) _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 7 '2D 1H-13C HSQC' . . . 50526 2 8 '3D CBCACONH' . . . 50526 2 9 '3D HNCACB' . . . 50526 2 10 '3D HNCACO' . . . 50526 2 11 '3D HNCA' . . . 50526 2 12 '3D HNCO' . . . 50526 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50526 2 2 $software_2 . . 50526 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 6 6 GLY H H 1 8.567 0.006 . . . . . . . 4 G HN . 50526 2 2 . 2 . 2 6 6 GLY C C 13 174.099 0 . . . . . . . 4 G CO . 50526 2 3 . 2 . 2 6 6 GLY CA C 13 45.259 0.033 . . . . . . . 4 G CA . 50526 2 4 . 2 . 2 6 6 GLY N N 15 109.926 0.01 . . . . . . . 4 G N . 50526 2 5 . 2 . 2 7 7 LYS H H 1 8.423 0.005 . . . . . . . 5 K HN . 50526 2 6 . 2 . 2 7 7 LYS C C 13 177.267 0 . . . . . . . 5 K CO . 50526 2 7 . 2 . 2 7 7 LYS CA C 13 56.502 0.01 . . . . . . . 5 K CA . 50526 2 8 . 2 . 2 7 7 LYS CB C 13 33.065 0.007 . . . . . . . 5 K CB . 50526 2 9 . 2 . 2 7 7 LYS N N 15 121.042 0.011 . . . . . . . 5 K N . 50526 2 10 . 2 . 2 8 8 GLY H H 1 8.631 0.013 . . . . . . . 6 G HN . 50526 2 11 . 2 . 2 8 8 GLY C C 13 174.267 0 . . . . . . . 6 G CO . 50526 2 12 . 2 . 2 8 8 GLY CA C 13 45.569 0.018 . . . . . . . 6 G CA . 50526 2 13 . 2 . 2 8 8 GLY N N 15 110.156 0.015 . . . . . . . 6 G N . 50526 2 14 . 2 . 2 9 9 THR H H 1 8 0 . . . . . . . 7 T HN . 50526 2 15 . 2 . 2 9 9 THR C C 13 174.33 0 . . . . . . . 7 T CO . 50526 2 16 . 2 . 2 9 9 THR CA C 13 61.559 0.034 . . . . . . . 7 T CA . 50526 2 17 . 2 . 2 9 9 THR CB C 13 69.513 0.002 . . . . . . . 7 T CB . 50526 2 18 . 2 . 2 9 9 THR N N 15 112.611 0.017 . . . . . . . 7 T N . 50526 2 19 . 2 . 2 10 10 ASP H H 1 8.35 0.004 . . . . . . . 8 D HN . 50526 2 20 . 2 . 2 10 10 ASP C C 13 176.071 0 . . . . . . . 8 D CO . 50526 2 21 . 2 . 2 10 10 ASP CA C 13 54.641 0 . . . . . . . 8 D CA . 50526 2 22 . 2 . 2 10 10 ASP CB C 13 40.943 0 . . . . . . . 8 D CB . 50526 2 23 . 2 . 2 10 10 ASP N N 15 123.581 0.029 . . . . . . . 8 D N . 50526 2 24 . 2 . 2 17 17 ALA H H 1 7.833 0.003 . . . . . . . 15 A HN . 50526 2 25 . 2 . 2 17 17 ALA C C 13 180.583 0 . . . . . . . 15 A CO . 50526 2 26 . 2 . 2 17 17 ALA CA C 13 54.735 0.016 . . . . . . . 15 A CA . 50526 2 27 . 2 . 2 17 17 ALA CB C 13 18.001 0.028 . . . . . . . 15 A CB . 50526 2 28 . 2 . 2 17 17 ALA N N 15 121.295 0.013 . . . . . . . 15 A N . 50526 2 29 . 2 . 2 18 18 ALA H H 1 7.99 0.002 . . . . . . . 16 A HN . 50526 2 30 . 2 . 2 18 18 ALA C C 13 178.833 0 . . . . . . . 16 A CO . 50526 2 31 . 2 . 2 18 18 ALA CA C 13 55.7 0.019 . . . . . . . 16 A CA . 50526 2 32 . 2 . 2 18 18 ALA CB C 13 18.903 0.029 . . . . . . . 16 A CB . 50526 2 33 . 2 . 2 18 18 ALA N N 15 121.969 0.019 . . . . . . . 16 A N . 50526 2 34 . 2 . 2 19 19 VAL H H 1 9.024 0.003 . . . . . . . 17 V HN . 50526 2 35 . 2 . 2 19 19 VAL C C 13 179.065 0 . . . . . . . 17 V CO . 50526 2 36 . 2 . 2 19 19 VAL CA C 13 66.871 0.049 . . . . . . . 17 V CA . 50526 2 37 . 2 . 2 19 19 VAL CB C 13 31.484 0.044 . . . . . . . 17 V CB . 50526 2 38 . 2 . 2 19 19 VAL N N 15 117.26 0.018 . . . . . . . 17 V N . 50526 2 39 . 2 . 2 20 20 GLY H H 1 8.777 0.003 . . . . . . . 18 G HN . 50526 2 40 . 2 . 2 20 20 GLY C C 13 176.3 0 . . . . . . . 18 G CO . 50526 2 41 . 2 . 2 20 20 GLY CA C 13 46.999 0.007 . . . . . . . 18 G CA . 50526 2 42 . 2 . 2 20 20 GLY N N 15 109.694 0.006 . . . . . . . 18 G N . 50526 2 43 . 2 . 2 21 21 PHE H H 1 7.744 0.002 . . . . . . . 19 F HN . 50526 2 44 . 2 . 2 21 21 PHE C C 13 177.649 0 . . . . . . . 19 F CO . 50526 2 45 . 2 . 2 21 21 PHE CA C 13 60.246 0.016 . . . . . . . 19 F CA . 50526 2 46 . 2 . 2 21 21 PHE CB C 13 39.955 0.092 . . . . . . . 19 F CB . 50526 2 47 . 2 . 2 21 21 PHE N N 15 122.876 0.026 . . . . . . . 19 F N . 50526 2 48 . 2 . 2 22 22 LEU H H 1 8.069 0.006 . . . . . . . 20 L HN . 50526 2 49 . 2 . 2 22 22 LEU C C 13 178.551 0 . . . . . . . 20 L CO . 50526 2 50 . 2 . 2 22 22 LEU CA C 13 58.254 0.007 . . . . . . . 20 L CA . 50526 2 51 . 2 . 2 22 22 LEU CB C 13 42.139 0.026 . . . . . . . 20 L CB . 50526 2 52 . 2 . 2 22 22 LEU N N 15 119.754 0.015 . . . . . . . 20 L N . 50526 2 53 . 2 . 2 23 23 SER H H 1 8.861 0.002 . . . . . . . 21 S HN . 50526 2 54 . 2 . 2 23 23 SER CA C 13 62.858 0.019 . . . . . . . 21 S CA . 50526 2 55 . 2 . 2 23 23 SER CB C 13 63.12 0 . . . . . . . 21 S CB . 50526 2 56 . 2 . 2 23 23 SER N N 15 113.018 0.009 . . . . . . . 21 S N . 50526 2 57 . 2 . 2 24 24 SER H H 1 7.934 0.006 . . . . . . . 22 S HN . 50526 2 58 . 2 . 2 24 24 SER CA C 13 61.694 0.034 . . . . . . . 22 S CA . 50526 2 59 . 2 . 2 24 24 SER CB C 13 63.351 0.014 . . . . . . . 22 S CB . 50526 2 60 . 2 . 2 24 24 SER N N 15 117.742 0.019 . . . . . . . 22 S N . 50526 2 61 . 2 . 2 25 25 LEU H H 1 7.473 0.003 . . . . . . . 23 L HN . 50526 2 62 . 2 . 2 25 25 LEU C C 13 179.236 0 . . . . . . . 23 L CO . 50526 2 63 . 2 . 2 25 25 LEU CA C 13 57.686 0.036 . . . . . . . 23 L CA . 50526 2 64 . 2 . 2 25 25 LEU CB C 13 41.489 0 . . . . . . . 23 L CB . 50526 2 65 . 2 . 2 25 25 LEU N N 15 123.008 0.018 . . . . . . . 23 L N . 50526 2 66 . 2 . 2 26 26 LEU H H 1 7.231 0.007 . . . . . . . 24 L HN . 50526 2 67 . 2 . 2 26 26 LEU C C 13 178.955 0.007 . . . . . . . 24 L CO . 50526 2 68 . 2 . 2 26 26 LEU CA C 13 57.783 0.036 . . . . . . . 24 L CA . 50526 2 69 . 2 . 2 26 26 LEU CB C 13 41.88 0.036 . . . . . . . 24 L CB . 50526 2 70 . 2 . 2 26 26 LEU N N 15 117.718 0.034 . . . . . . . 24 L N . 50526 2 71 . 2 . 2 27 27 ARG H H 1 8.23 0.004 . . . . . . . 25 R HN . 50526 2 72 . 2 . 2 27 27 ARG C C 13 178.756 0 . . . . . . . 25 R CO . 50526 2 73 . 2 . 2 27 27 ARG CA C 13 59.386 0.095 . . . . . . . 25 R CA . 50526 2 74 . 2 . 2 27 27 ARG CB C 13 30.759 0.01 . . . . . . . 25 R CB . 50526 2 75 . 2 . 2 27 27 ARG N N 15 119.377 0.021 . . . . . . . 25 R N . 50526 2 76 . 2 . 2 28 28 THR H H 1 7.953 0.005 . . . . . . . 26 T HN . 50526 2 77 . 2 . 2 28 28 THR C C 13 175.833 0 . . . . . . . 26 T CO . 50526 2 78 . 2 . 2 28 28 THR CA C 13 65.286 0.041 . . . . . . . 26 T CA . 50526 2 79 . 2 . 2 28 28 THR CB C 13 69.498 0.007 . . . . . . . 26 T CB . 50526 2 80 . 2 . 2 28 28 THR N N 15 111.487 0.033 . . . . . . . 26 T N . 50526 2 81 . 2 . 2 29 29 ARG H H 1 7.901 0.005 . . . . . . . 27 R HN . 50526 2 82 . 2 . 2 29 29 ARG C C 13 177.571 0 . . . . . . . 27 R CO . 50526 2 83 . 2 . 2 29 29 ARG CA C 13 56.621 0.05 . . . . . . . 27 R CA . 50526 2 84 . 2 . 2 29 29 ARG CB C 13 30.318 0.012 . . . . . . . 27 R CB . 50526 2 85 . 2 . 2 29 29 ARG N N 15 117.924 0.015 . . . . . . . 27 R N . 50526 2 86 . 2 . 2 30 30 GLY H H 1 7.63 0.001 . . . . . . . 28 G HN . 50526 2 87 . 2 . 2 30 30 GLY C C 13 173.813 0 . . . . . . . 28 G CO . 50526 2 88 . 2 . 2 30 30 GLY CA C 13 46.296 0 . . . . . . . 28 G CA . 50526 2 89 . 2 . 2 30 30 GLY N N 15 105.63 0.038 . . . . . . . 28 G N . 50526 2 90 . 2 . 2 31 31 CYS H H 1 7.796 0.001 . . . . . . . 29 C HN . 50526 2 91 . 2 . 2 31 31 CYS C C 13 173.841 0 . . . . . . . 29 C CO . 50526 2 92 . 2 . 2 31 31 CYS CA C 13 58.317 0 . . . . . . . 29 C CA . 50526 2 93 . 2 . 2 31 31 CYS CB C 13 27.521 0 . . . . . . . 29 C CB . 50526 2 94 . 2 . 2 31 31 CYS N N 15 115.495 0.008 . . . . . . . 29 C N . 50526 2 95 . 2 . 2 32 32 VAL H H 1 7.857 0.002 . . . . . . . 30 V HN . 50526 2 96 . 2 . 2 32 32 VAL C C 13 175.073 0 . . . . . . . 30 V CO . 50526 2 97 . 2 . 2 32 32 VAL CA C 13 61.985 0 . . . . . . . 30 V CA . 50526 2 98 . 2 . 2 32 32 VAL CB C 13 32.792 0 . . . . . . . 30 V CB . 50526 2 99 . 2 . 2 32 32 VAL N N 15 121.41 0.015 . . . . . . . 30 V N . 50526 2 100 . 2 . 2 33 33 SER H H 1 8.318 0.007 . . . . . . . 31 S HN . 50526 2 101 . 2 . 2 33 33 SER C C 13 174.453 0 . . . . . . . 31 S CO . 50526 2 102 . 2 . 2 33 33 SER CA C 13 57.861 0 . . . . . . . 31 S CA . 50526 2 103 . 2 . 2 33 33 SER CB C 13 64.453 0 . . . . . . . 31 S CB . 50526 2 104 . 2 . 2 33 33 SER N N 15 122.179 0.05 . . . . . . . 31 S N . 50526 2 105 . 2 . 2 34 34 GLU H H 1 8.992 0.003 . . . . . . . 32 E HN . 50526 2 106 . 2 . 2 34 34 GLU C C 13 179.27 0 . . . . . . . 32 E CO . 50526 2 107 . 2 . 2 34 34 GLU CA C 13 59.309 0 . . . . . . . 32 E CA . 50526 2 108 . 2 . 2 34 34 GLU CB C 13 28.809 0 . . . . . . . 32 E CB . 50526 2 109 . 2 . 2 34 34 GLU N N 15 121.535 0.032 . . . . . . . 32 E N . 50526 2 110 . 2 . 2 35 35 GLN H H 1 8.6 0.002 . . . . . . . 33 Q HN . 50526 2 111 . 2 . 2 35 35 GLN C C 13 178.822 0 . . . . . . . 33 Q CO . 50526 2 112 . 2 . 2 35 35 GLN CA C 13 59.586 0 . . . . . . . 33 Q CA . 50526 2 113 . 2 . 2 35 35 GLN CB C 13 27.934 0 . . . . . . . 33 Q CB . 50526 2 114 . 2 . 2 35 35 GLN N N 15 118.232 0.012 . . . . . . . 33 Q N . 50526 2 115 . 2 . 2 36 36 ARG H H 1 7.525 0.003 . . . . . . . 34 R HN . 50526 2 116 . 2 . 2 36 36 ARG C C 13 178.787 0 . . . . . . . 34 R CO . 50526 2 117 . 2 . 2 36 36 ARG CA C 13 59.426 0 . . . . . . . 34 R CA . 50526 2 118 . 2 . 2 36 36 ARG CB C 13 30.801 0 . . . . . . . 34 R CB . 50526 2 119 . 2 . 2 36 36 ARG N N 15 119.474 0.006 . . . . . . . 34 R N . 50526 2 120 . 2 . 2 37 37 LEU H H 1 8.538 0.003 . . . . . . . 35 L HN . 50526 2 121 . 2 . 2 37 37 LEU C C 13 179.343 0 . . . . . . . 35 L CO . 50526 2 122 . 2 . 2 37 37 LEU CA C 13 57.82 0 . . . . . . . 35 L CA . 50526 2 123 . 2 . 2 37 37 LEU CB C 13 41.09 0 . . . . . . . 35 L CB . 50526 2 124 . 2 . 2 37 37 LEU N N 15 120.333 0.019 . . . . . . . 35 L N . 50526 2 125 . 2 . 2 38 38 LYS H H 1 8.212 0.004 . . . . . . . 36 K HN . 50526 2 126 . 2 . 2 38 38 LYS C C 13 179.923 0 . . . . . . . 36 K CO . 50526 2 127 . 2 . 2 38 38 LYS CA C 13 59.751 0 . . . . . . . 36 K CA . 50526 2 128 . 2 . 2 38 38 LYS CB C 13 32.18 0 . . . . . . . 36 K CB . 50526 2 129 . 2 . 2 38 38 LYS N N 15 121.436 0.012 . . . . . . . 36 K N . 50526 2 130 . 2 . 2 39 39 VAL H H 1 7.4 0.003 . . . . . . . 37 V HN . 50526 2 131 . 2 . 2 39 39 VAL C C 13 178.4 0 . . . . . . . 37 V CO . 50526 2 132 . 2 . 2 39 39 VAL CA C 13 66.171 0 . . . . . . . 37 V CA . 50526 2 133 . 2 . 2 39 39 VAL CB C 13 31.304 0 . . . . . . . 37 V CB . 50526 2 134 . 2 . 2 39 39 VAL N N 15 120.89 0.021 . . . . . . . 37 V N . 50526 2 135 . 2 . 2 40 40 PHE H H 1 8.482 0.003 . . . . . . . 38 F HN . 50526 2 136 . 2 . 2 40 40 PHE C C 13 175.602 0 . . . . . . . 38 F CO . 50526 2 137 . 2 . 2 40 40 PHE CA C 13 61.41 0 . . . . . . . 38 F CA . 50526 2 138 . 2 . 2 40 40 PHE CB C 13 39.544 0 . . . . . . . 38 F CB . 50526 2 139 . 2 . 2 40 40 PHE N N 15 120.331 0.038 . . . . . . . 38 F N . 50526 2 140 . 2 . 2 41 41 SER H H 1 8.913 0.004 . . . . . . . 39 S HN . 50526 2 141 . 2 . 2 41 41 SER CA C 13 61.754 0 . . . . . . . 39 S CA . 50526 2 142 . 2 . 2 41 41 SER CB C 13 62.811 0 . . . . . . . 39 S CB . 50526 2 143 . 2 . 2 41 41 SER N N 15 114.338 0.014 . . . . . . . 39 S N . 50526 2 144 . 2 . 2 42 42 GLY H H 1 7.906 0.01 . . . . . . . 40 G HN . 50526 2 145 . 2 . 2 42 42 GLY C C 13 176.184 0 . . . . . . . 40 G CO . 50526 2 146 . 2 . 2 42 42 GLY CA C 13 47.243 0 . . . . . . . 40 G CA . 50526 2 147 . 2 . 2 42 42 GLY N N 15 108.125 0.008 . . . . . . . 40 G N . 50526 2 148 . 2 . 2 43 43 ALA H H 1 8.255 0.004 . . . . . . . 41 A HN . 50526 2 149 . 2 . 2 43 43 ALA C C 13 181.021 0 . . . . . . . 41 A CO . 50526 2 150 . 2 . 2 43 43 ALA CA C 13 54.353 0 . . . . . . . 41 A CA . 50526 2 151 . 2 . 2 43 43 ALA CB C 13 18.506 0 . . . . . . . 41 A CB . 50526 2 152 . 2 . 2 43 43 ALA N N 15 123.9 0.031 . . . . . . . 41 A N . 50526 2 153 . 2 . 2 44 44 LEU H H 1 8.772 0.002 . . . . . . . 42 L HN . 50526 2 154 . 2 . 2 44 44 LEU C C 13 177.688 0 . . . . . . . 42 L CO . 50526 2 155 . 2 . 2 44 44 LEU CA C 13 57.261 0 . . . . . . . 42 L CA . 50526 2 156 . 2 . 2 44 44 LEU CB C 13 40.295 0 . . . . . . . 42 L CB . 50526 2 157 . 2 . 2 44 44 LEU N N 15 121.242 0.027 . . . . . . . 42 L N . 50526 2 158 . 2 . 2 45 45 GLN H H 1 8.186 0.006 . . . . . . . 43 Q HN . 50526 2 159 . 2 . 2 45 45 GLN C C 13 179.047 0 . . . . . . . 43 Q CO . 50526 2 160 . 2 . 2 45 45 GLN CA C 13 59.821 0 . . . . . . . 43 Q CA . 50526 2 161 . 2 . 2 45 45 GLN CB C 13 27.793 0 . . . . . . . 43 Q CB . 50526 2 162 . 2 . 2 45 45 GLN N N 15 119.027 0.019 . . . . . . . 43 Q N . 50526 2 163 . 2 . 2 46 46 GLU H H 1 7.688 0.004 . . . . . . . 44 E HN . 50526 2 164 . 2 . 2 46 46 GLU C C 13 178.071 0 . . . . . . . 44 E CO . 50526 2 165 . 2 . 2 46 46 GLU CA C 13 59.316 0 . . . . . . . 44 E CA . 50526 2 166 . 2 . 2 46 46 GLU CB C 13 29.17 0 . . . . . . . 44 E CB . 50526 2 167 . 2 . 2 46 46 GLU N N 15 120.256 0.011 . . . . . . . 44 E N . 50526 2 168 . 2 . 2 47 47 ALA H H 1 8.164 0.004 . . . . . . . 45 A HN . 50526 2 169 . 2 . 2 47 47 ALA C C 13 181.742 0 . . . . . . . 45 A CO . 50526 2 170 . 2 . 2 47 47 ALA CA C 13 54.882 0 . . . . . . . 45 A CA . 50526 2 171 . 2 . 2 47 47 ALA CB C 13 18.881 0 . . . . . . . 45 A CB . 50526 2 172 . 2 . 2 47 47 ALA N N 15 121.386 0.013 . . . . . . . 45 A N . 50526 2 173 . 2 . 2 48 48 LEU H H 1 8.577 0.011 . . . . . . . 46 L HN . 50526 2 174 . 2 . 2 48 48 LEU C C 13 177.241 0.028 . . . . . . . 46 L CO . 50526 2 175 . 2 . 2 48 48 LEU CA C 13 57.765 0 . . . . . . . 46 L CA . 50526 2 176 . 2 . 2 48 48 LEU CB C 13 40.995 0 . . . . . . . 46 L CB . 50526 2 177 . 2 . 2 48 48 LEU N N 15 118.399 0.03 . . . . . . . 46 L N . 50526 2 178 . 2 . 2 49 49 THR H H 1 7.652 0.008 . . . . . . . 47 T HN . 50526 2 179 . 2 . 2 49 49 THR C C 13 176.527 0 . . . . . . . 47 T CO . 50526 2 180 . 2 . 2 49 49 THR CA C 13 67.33 0 . . . . . . . 47 T CA . 50526 2 181 . 2 . 2 49 49 THR CB C 13 68.356 0 . . . . . . . 47 T CB . 50526 2 182 . 2 . 2 49 49 THR N N 15 115.583 0.01 . . . . . . . 47 T N . 50526 2 183 . 2 . 2 50 50 GLU H H 1 8.439 0.001 . . . . . . . 48 E HN . 50526 2 184 . 2 . 2 50 50 GLU C C 13 176.209 0 . . . . . . . 48 E CO . 50526 2 185 . 2 . 2 50 50 GLU CA C 13 58.229 0 . . . . . . . 48 E CA . 50526 2 186 . 2 . 2 50 50 GLU CB C 13 28.55 0 . . . . . . . 48 E CB . 50526 2 187 . 2 . 2 50 50 GLU N N 15 121.098 0.028 . . . . . . . 48 E N . 50526 2 188 . 2 . 2 51 51 HIS H H 1 7.389 0.003 . . . . . . . 49 H HN . 50526 2 189 . 2 . 2 51 51 HIS C C 13 177.421 0 . . . . . . . 49 H CO . 50526 2 190 . 2 . 2 51 51 HIS CA C 13 57.314 0.065 . . . . . . . 49 H CA . 50526 2 191 . 2 . 2 51 51 HIS CB C 13 28.958 0.08 . . . . . . . 49 H CB . 50526 2 192 . 2 . 2 51 51 HIS N N 15 114.981 0.014 . . . . . . . 49 H N . 50526 2 193 . 2 . 2 52 52 TYR H H 1 7.772 0.001 . . . . . . . 50 Y HN . 50526 2 194 . 2 . 2 52 52 TYR C C 13 175.997 0 . . . . . . . 50 Y CO . 50526 2 195 . 2 . 2 52 52 TYR CA C 13 56.16 0.021 . . . . . . . 50 Y CA . 50526 2 196 . 2 . 2 52 52 TYR CB C 13 43.988 0.008 . . . . . . . 50 Y CB . 50526 2 197 . 2 . 2 52 52 TYR N N 15 117.848 0.022 . . . . . . . 50 Y N . 50526 2 198 . 2 . 2 53 53 LYS H H 1 7.454 0.003 . . . . . . . 51 K HN . 50526 2 199 . 2 . 2 53 53 LYS C C 13 173.861 0 . . . . . . . 51 K CO . 50526 2 200 . 2 . 2 53 53 LYS CA C 13 51.647 0 . . . . . . . 51 K CA . 50526 2 201 . 2 . 2 53 53 LYS CB C 13 42.049 0 . . . . . . . 51 K CB . 50526 2 202 . 2 . 2 53 53 LYS N N 15 116.965 0.011 . . . . . . . 51 K N . 50526 2 203 . 2 . 2 62 62 SER H H 1 7.83 0.003 . . . . . . . 60 S HN . 50526 2 204 . 2 . 2 62 62 SER C C 13 177.133 0 . . . . . . . 60 S CO . 50526 2 205 . 2 . 2 62 62 SER CA C 13 59.49 0.019 . . . . . . . 60 S CA . 50526 2 206 . 2 . 2 62 62 SER CB C 13 62.976 0.017 . . . . . . . 60 S CB . 50526 2 207 . 2 . 2 62 62 SER N N 15 105.476 0.035 . . . . . . . 60 S N . 50526 2 208 . 2 . 2 63 63 LYS H H 1 8.461 0.003 . . . . . . . 61 K HN . 50526 2 209 . 2 . 2 63 63 LYS C C 13 178.662 0 . . . . . . . 61 K CO . 50526 2 210 . 2 . 2 63 63 LYS CA C 13 57.874 0.021 . . . . . . . 61 K CA . 50526 2 211 . 2 . 2 63 63 LYS CB C 13 32.204 0.015 . . . . . . . 61 K CB . 50526 2 212 . 2 . 2 63 63 LYS N N 15 127.773 0.017 . . . . . . . 61 K N . 50526 2 213 . 2 . 2 64 64 GLY H H 1 9.7 0.008 . . . . . . . 62 G HN . 50526 2 214 . 2 . 2 64 64 GLY CA C 13 46.505 0.032 . . . . . . . 62 G CA . 50526 2 215 . 2 . 2 64 64 GLY N N 15 119.224 0.018 . . . . . . . 62 G N . 50526 2 216 . 2 . 2 65 65 SER H H 1 7.981 0.003 . . . . . . . 63 S HN . 50526 2 217 . 2 . 2 65 65 SER CA C 13 61.926 0 . . . . . . . 63 S CA . 50526 2 218 . 2 . 2 65 65 SER CB C 13 63.183 0 . . . . . . . 63 S CB . 50526 2 219 . 2 . 2 65 65 SER N N 15 116.563 0.029 . . . . . . . 63 S N . 50526 2 220 . 2 . 2 66 66 GLY H H 1 9 0.004 . . . . . . . 64 G HN . 50526 2 221 . 2 . 2 66 66 GLY C C 13 175.688 0 . . . . . . . 64 G CO . 50526 2 222 . 2 . 2 66 66 GLY CA C 13 46.916 0.007 . . . . . . . 64 G CA . 50526 2 223 . 2 . 2 66 66 GLY N N 15 108.499 0.019 . . . . . . . 64 G N . 50526 2 224 . 2 . 2 67 67 TYR H H 1 7.651 0.003 . . . . . . . 65 Y HN . 50526 2 225 . 2 . 2 67 67 TYR C C 13 177.134 0 . . . . . . . 65 Y CO . 50526 2 226 . 2 . 2 67 67 TYR CA C 13 60.859 0 . . . . . . . 65 Y CA . 50526 2 227 . 2 . 2 67 67 TYR CB C 13 38.133 0 . . . . . . . 65 Y CB . 50526 2 228 . 2 . 2 67 67 TYR N N 15 123.028 0.02 . . . . . . . 65 Y N . 50526 2 229 . 2 . 2 68 68 ARG H H 1 8.009 0.008 . . . . . . . 66 R HN . 50526 2 230 . 2 . 2 68 68 ARG CA C 13 58.181 0 . . . . . . . 66 R CA . 50526 2 231 . 2 . 2 68 68 ARG CB C 13 32.208 0 . . . . . . . 66 R CB . 50526 2 232 . 2 . 2 68 68 ARG N N 15 116.369 0.006 . . . . . . . 66 R N . 50526 2 233 . 2 . 2 69 69 CYS H H 1 7.329 0.002 . . . . . . . 67 C HN . 50526 2 234 . 2 . 2 69 69 CYS C C 13 173.719 0 . . . . . . . 67 C CO . 50526 2 235 . 2 . 2 69 69 CYS CA C 13 59.345 0 . . . . . . . 67 C CA . 50526 2 236 . 2 . 2 69 69 CYS CB C 13 27.499 0 . . . . . . . 67 C CB . 50526 2 237 . 2 . 2 69 69 CYS N N 15 117.436 0.036 . . . . . . . 67 C N . 50526 2 238 . 2 . 2 70 70 ILE H H 1 9.269 0.003 . . . . . . . 68 I HN . 50526 2 239 . 2 . 2 70 70 ILE C C 13 173.847 0 . . . . . . . 68 I CO . 50526 2 240 . 2 . 2 70 70 ILE CA C 13 60.057 0 . . . . . . . 68 I CA . 50526 2 241 . 2 . 2 70 70 ILE CB C 13 39.354 0 . . . . . . . 68 I CB . 50526 2 242 . 2 . 2 70 70 ILE N N 15 130.221 0.026 . . . . . . . 68 I N . 50526 2 243 . 2 . 2 71 71 ARG H H 1 8.768 0.004 . . . . . . . 69 R HN . 50526 2 244 . 2 . 2 71 71 ARG CA C 13 54.668 0 . . . . . . . 69 R CA . 50526 2 245 . 2 . 2 71 71 ARG CB C 13 32.579 0 . . . . . . . 69 R CB . 50526 2 246 . 2 . 2 71 71 ARG N N 15 126.354 0.016 . . . . . . . 69 R N . 50526 2 247 . 2 . 2 72 72 ILE H H 1 8.996 0.003 . . . . . . . 70 I HN . 50526 2 248 . 2 . 2 72 72 ILE CA C 13 60.993 0 . . . . . . . 70 I CA . 50526 2 249 . 2 . 2 72 72 ILE CB C 13 39.387 0 . . . . . . . 70 I CB . 50526 2 250 . 2 . 2 72 72 ILE N N 15 124.39 0.018 . . . . . . . 70 I N . 50526 2 251 . 2 . 2 80 80 ILE H H 1 8.304 0.001 . . . . . . . 78 I HN . 50526 2 252 . 2 . 2 80 80 ILE CA C 13 65.172 0 . . . . . . . 78 I CA . 50526 2 253 . 2 . 2 80 80 ILE CB C 13 36.072 0 . . . . . . . 78 I CB . 50526 2 254 . 2 . 2 80 80 ILE N N 15 122.083 0.028 . . . . . . . 78 I N . 50526 2 255 . 2 . 2 81 81 SER H H 1 8.18 0.002 . . . . . . . 79 S HN . 50526 2 256 . 2 . 2 81 81 SER CA C 13 62.474 0 . . . . . . . 79 S CA . 50526 2 257 . 2 . 2 81 81 SER N N 15 112.081 0.012 . . . . . . . 79 S N . 50526 2 258 . 2 . 2 82 82 ARG H H 1 7.641 0.003 . . . . . . . 80 R HN . 50526 2 259 . 2 . 2 82 82 ARG C C 13 179.382 0 . . . . . . . 80 R CO . 50526 2 260 . 2 . 2 82 82 ARG CA C 13 59.386 0 . . . . . . . 80 R CA . 50526 2 261 . 2 . 2 82 82 ARG CB C 13 29.97 0 . . . . . . . 80 R CB . 50526 2 262 . 2 . 2 82 82 ARG N N 15 121.651 0.015 . . . . . . . 80 R N . 50526 2 263 . 2 . 2 83 83 VAL H H 1 8.227 0.003 . . . . . . . 81 V HN . 50526 2 264 . 2 . 2 83 83 VAL C C 13 178.208 0 . . . . . . . 81 V CO . 50526 2 265 . 2 . 2 83 83 VAL CA C 13 66.255 0 . . . . . . . 81 V CA . 50526 2 266 . 2 . 2 83 83 VAL CB C 13 30.758 0 . . . . . . . 81 V CB . 50526 2 267 . 2 . 2 83 83 VAL N N 15 120.167 0.03 . . . . . . . 81 V N . 50526 2 268 . 2 . 2 84 84 ALA H H 1 8.857 0.002 . . . . . . . 82 A HN . 50526 2 269 . 2 . 2 84 84 ALA C C 13 179.888 0 . . . . . . . 82 A CO . 50526 2 270 . 2 . 2 84 84 ALA CA C 13 55.262 0 . . . . . . . 82 A CA . 50526 2 271 . 2 . 2 84 84 ALA CB C 13 19.445 0 . . . . . . . 82 A CB . 50526 2 272 . 2 . 2 84 84 ALA N N 15 120.758 0.026 . . . . . . . 82 A N . 50526 2 273 . 2 . 2 85 85 SER H H 1 7.911 0.001 . . . . . . . 83 S HN . 50526 2 274 . 2 . 2 85 85 SER C C 13 179.899 0 . . . . . . . 83 S CO . 50526 2 275 . 2 . 2 85 85 SER CA C 13 61.435 0 . . . . . . . 83 S CA . 50526 2 276 . 2 . 2 85 85 SER CB C 13 62.725 0 . . . . . . . 83 S CB . 50526 2 277 . 2 . 2 85 85 SER N N 15 113.177 0.026 . . . . . . . 83 S N . 50526 2 278 . 2 . 2 86 86 GLN H H 1 7.767 0.001 . . . . . . . 84 Q HN . 50526 2 279 . 2 . 2 86 86 GLN CA C 13 58.346 0.02 . . . . . . . 84 Q CA . 50526 2 280 . 2 . 2 86 86 GLN CB C 13 28.361 0.023 . . . . . . . 84 Q CB . 50526 2 281 . 2 . 2 86 86 GLN N N 15 121.279 0.015 . . . . . . . 84 Q N . 50526 2 282 . 2 . 2 87 87 ILE H H 1 7.361 0.009 . . . . . . . 85 I HN . 50526 2 283 . 2 . 2 87 87 ILE C C 13 176.032 0.002 . . . . . . . 85 I CO . 50526 2 284 . 2 . 2 87 87 ILE CA C 13 60.561 0.027 . . . . . . . 85 I CA . 50526 2 285 . 2 . 2 87 87 ILE CB C 13 38.252 0.028 . . . . . . . 85 I CB . 50526 2 286 . 2 . 2 87 87 ILE N N 15 108.343 0.04 . . . . . . . 85 I N . 50526 2 287 . 2 . 2 88 88 GLY H H 1 7.677 0.004 . . . . . . . 86 G HN . 50526 2 288 . 2 . 2 88 88 GLY C C 13 174.243 0 . . . . . . . 86 G CO . 50526 2 289 . 2 . 2 88 88 GLY CA C 13 46.439 0.038 . . . . . . . 86 G CA . 50526 2 290 . 2 . 2 88 88 GLY N N 15 109.078 0.033 . . . . . . . 86 G N . 50526 2 291 . 2 . 2 89 89 LEU H H 1 7.692 0.002 . . . . . . . 87 L HN . 50526 2 292 . 2 . 2 89 89 LEU C C 13 175.543 0 . . . . . . . 87 L CO . 50526 2 293 . 2 . 2 89 89 LEU CA C 13 53.525 0 . . . . . . . 87 L CA . 50526 2 294 . 2 . 2 89 89 LEU CB C 13 43.427 0 . . . . . . . 87 L CB . 50526 2 295 . 2 . 2 89 89 LEU N N 15 120.424 0.014 . . . . . . . 87 L N . 50526 2 296 . 2 . 2 90 90 SER H H 1 8.585 0.004 . . . . . . . 88 S HN . 50526 2 297 . 2 . 2 90 90 SER C C 13 174.265 0 . . . . . . . 88 S CO . 50526 2 298 . 2 . 2 90 90 SER CA C 13 56.528 0 . . . . . . . 88 S CA . 50526 2 299 . 2 . 2 90 90 SER CB C 13 65.264 0 . . . . . . . 88 S CB . 50526 2 300 . 2 . 2 90 90 SER N N 15 120.064 0.032 . . . . . . . 88 S N . 50526 2 301 . 2 . 2 91 91 GLN H H 1 9.162 0.002 . . . . . . . 89 Q HN . 50526 2 302 . 2 . 2 91 91 GLN C C 13 176.058 0 . . . . . . . 89 Q CO . 50526 2 303 . 2 . 2 91 91 GLN CA C 13 61.462 0 . . . . . . . 89 Q CA . 50526 2 304 . 2 . 2 91 91 GLN CB C 13 25.886 0 . . . . . . . 89 Q CB . 50526 2 305 . 2 . 2 91 91 GLN N N 15 119.514 0.016 . . . . . . . 89 Q N . 50526 2 306 . 2 . 2 100 100 SER H H 1 8.225 0.003 . . . . . . . 98 S HN . 50526 2 307 . 2 . 2 100 100 SER CA C 13 59.713 0 . . . . . . . 98 S CA . 50526 2 308 . 2 . 2 100 100 SER CB C 13 63.667 0 . . . . . . . 98 S CB . 50526 2 309 . 2 . 2 100 100 SER N N 15 115.609 0.025 . . . . . . . 98 S N . 50526 2 310 . 2 . 2 101 101 GLU H H 1 7.604 0.002 . . . . . . . 99 E HN . 50526 2 311 . 2 . 2 101 101 GLU C C 13 175.124 0 . . . . . . . 99 E CO . 50526 2 312 . 2 . 2 101 101 GLU CA C 13 56.058 0 . . . . . . . 99 E CA . 50526 2 313 . 2 . 2 101 101 GLU CB C 13 30.663 0 . . . . . . . 99 E CB . 50526 2 314 . 2 . 2 101 101 GLU N N 15 118.416 0.006 . . . . . . . 99 E N . 50526 2 315 . 2 . 2 102 102 LEU H H 1 8.685 0.004 . . . . . . . 100 L HN . 50526 2 316 . 2 . 2 102 102 LEU C C 13 174.95 0 . . . . . . . 100 L CO . 50526 2 317 . 2 . 2 102 102 LEU CA C 13 54.609 0 . . . . . . . 100 L CA . 50526 2 318 . 2 . 2 102 102 LEU CB C 13 45.564 0 . . . . . . . 100 L CB . 50526 2 319 . 2 . 2 102 102 LEU N N 15 125.688 0.018 . . . . . . . 100 L N . 50526 2 320 . 2 . 2 103 103 THR H H 1 8.698 0.002 . . . . . . . 101 T HN . 50526 2 321 . 2 . 2 103 103 THR C C 13 171.259 0 . . . . . . . 101 T CO . 50526 2 322 . 2 . 2 103 103 THR CA C 13 62.551 0.032 . . . . . . . 101 T CA . 50526 2 323 . 2 . 2 103 103 THR CB C 13 70.601 0 . . . . . . . 101 T CB . 50526 2 324 . 2 . 2 103 103 THR N N 15 123.827 0.012 . . . . . . . 101 T N . 50526 2 325 . 2 . 2 104 104 LEU H H 1 8.918 0.002 . . . . . . . 102 L HN . 50526 2 326 . 2 . 2 104 104 LEU CA C 13 54.04 0 . . . . . . . 102 L CA . 50526 2 327 . 2 . 2 104 104 LEU CB C 13 45.632 0 . . . . . . . 102 L CB . 50526 2 328 . 2 . 2 104 104 LEU N N 15 129.349 0.023 . . . . . . . 102 L N . 50526 2 329 . 2 . 2 105 105 TRP H H 1 9.529 0.004 . . . . . . . 103 W HN . 50526 2 330 . 2 . 2 105 105 TRP C C 13 175.077 0 . . . . . . . 103 W CO . 50526 2 331 . 2 . 2 105 105 TRP CA C 13 59.85 0 . . . . . . . 103 W CA . 50526 2 332 . 2 . 2 105 105 TRP CB C 13 29.151 0 . . . . . . . 103 W CB . 50526 2 333 . 2 . 2 105 105 TRP N N 15 127.6 0.027 . . . . . . . 103 W N . 50526 2 334 . 2 . 2 106 106 VAL H H 1 7.899 0.003 . . . . . . . 104 V HN . 50526 2 335 . 2 . 2 106 106 VAL C C 13 172.176 0 . . . . . . . 104 V CO . 50526 2 336 . 2 . 2 106 106 VAL CA C 13 61.666 0 . . . . . . . 104 V CA . 50526 2 337 . 2 . 2 106 106 VAL CB C 13 31.173 0 . . . . . . . 104 V CB . 50526 2 338 . 2 . 2 106 106 VAL N N 15 124.471 0.018 . . . . . . . 104 V N . 50526 2 339 . 2 . 2 107 107 ASP H H 1 8.121 0.003 . . . . . . . 105 D HN . 50526 2 340 . 2 . 2 107 107 ASP C C 13 172.172 0 . . . . . . . 105 D CO . 50526 2 341 . 2 . 2 107 107 ASP CA C 13 51.159 0 . . . . . . . 105 D CA . 50526 2 342 . 2 . 2 107 107 ASP CB C 13 41.569 0 . . . . . . . 105 D CB . 50526 2 343 . 2 . 2 107 107 ASP N N 15 123.799 0.01 . . . . . . . 105 D N . 50526 2 344 . 2 . 2 109 109 TYR H H 1 9.788 0.01 . . . . . . . 107 Y HN . 50526 2 345 . 2 . 2 109 109 TYR CA C 13 60.068 0 . . . . . . . 107 Y CA . 50526 2 346 . 2 . 2 109 109 TYR N N 15 118.19 0 . . . . . . . 107 Y N . 50526 2 347 . 2 . 2 110 110 GLU H H 1 8.344 0.002 . . . . . . . 108 E HN . 50526 2 348 . 2 . 2 110 110 GLU C C 13 173.216 0 . . . . . . . 108 E CO . 50526 2 349 . 2 . 2 110 110 GLU CA C 13 57.51 0 . . . . . . . 108 E CA . 50526 2 350 . 2 . 2 110 110 GLU CB C 13 32.288 0 . . . . . . . 108 E CB . 50526 2 351 . 2 . 2 110 110 GLU N N 15 120.953 0.021 . . . . . . . 108 E N . 50526 2 352 . 2 . 2 111 111 VAL H H 1 9.194 0.004 . . . . . . . 109 V HN . 50526 2 353 . 2 . 2 111 111 VAL C C 13 175.433 0 . . . . . . . 109 V CO . 50526 2 354 . 2 . 2 111 111 VAL CA C 13 60.78 0 . . . . . . . 109 V CA . 50526 2 355 . 2 . 2 111 111 VAL CB C 13 34.331 0 . . . . . . . 109 V CB . 50526 2 356 . 2 . 2 111 111 VAL N N 15 127.238 0.03 . . . . . . . 109 V N . 50526 2 357 . 2 . 2 112 112 SER H H 1 9.47 0.003 . . . . . . . 110 S HN . 50526 2 358 . 2 . 2 112 112 SER C C 13 171.737 0 . . . . . . . 110 S CO . 50526 2 359 . 2 . 2 112 112 SER CA C 13 57.498 0 . . . . . . . 110 S CA . 50526 2 360 . 2 . 2 112 112 SER CB C 13 67.213 0 . . . . . . . 110 S CB . 50526 2 361 . 2 . 2 112 112 SER N N 15 123.178 0.021 . . . . . . . 110 S N . 50526 2 362 . 2 . 2 113 113 TYR H H 1 9.312 0.004 . . . . . . . 111 Y HN . 50526 2 363 . 2 . 2 113 113 TYR C C 13 172.13 0 . . . . . . . 111 Y CO . 50526 2 364 . 2 . 2 113 113 TYR CA C 13 56.347 0 . . . . . . . 111 Y CA . 50526 2 365 . 2 . 2 113 113 TYR CB C 13 42.876 0 . . . . . . . 111 Y CB . 50526 2 366 . 2 . 2 113 113 TYR N N 15 116.332 0.026 . . . . . . . 111 Y N . 50526 2 367 . 2 . 2 114 114 ARG H H 1 9.061 0.008 . . . . . . . 112 R HN . 50526 2 368 . 2 . 2 114 114 ARG C C 13 175.333 0 . . . . . . . 112 R CO . 50526 2 369 . 2 . 2 114 114 ARG CA C 13 55.456 0 . . . . . . . 112 R CA . 50526 2 370 . 2 . 2 114 114 ARG CB C 13 35.725 0 . . . . . . . 112 R CB . 50526 2 371 . 2 . 2 114 114 ARG N N 15 118.658 0.038 . . . . . . . 112 R N . 50526 2 372 . 2 . 2 115 115 ILE H H 1 9.689 0.01 . . . . . . . 113 I HN . 50526 2 373 . 2 . 2 115 115 ILE C C 13 176.414 0 . . . . . . . 113 I CO . 50526 2 374 . 2 . 2 115 115 ILE CA C 13 61.27 0 . . . . . . . 113 I CA . 50526 2 375 . 2 . 2 115 115 ILE CB C 13 38.4 0 . . . . . . . 113 I CB . 50526 2 376 . 2 . 2 115 115 ILE N N 15 129.819 0.024 . . . . . . . 113 I N . 50526 2 377 . 2 . 2 116 116 GLY H H 1 8.353 0.005 . . . . . . . 114 G HN . 50526 2 378 . 2 . 2 116 116 GLY C C 13 174.189 0 . . . . . . . 114 G CO . 50526 2 379 . 2 . 2 116 116 GLY CA C 13 44.28 0 . . . . . . . 114 G CA . 50526 2 380 . 2 . 2 116 116 GLY N N 15 115.347 0.017 . . . . . . . 114 G N . 50526 2 381 . 2 . 2 117 117 GLU H H 1 8.871 0.003 . . . . . . . 115 E HN . 50526 2 382 . 2 . 2 117 117 GLU C C 13 176.885 0 . . . . . . . 115 E CO . 50526 2 383 . 2 . 2 117 117 GLU CA C 13 58.705 0 . . . . . . . 115 E CA . 50526 2 384 . 2 . 2 117 117 GLU CB C 13 29.739 0 . . . . . . . 115 E CB . 50526 2 385 . 2 . 2 117 117 GLU N N 15 121.04 0.007 . . . . . . . 115 E N . 50526 2 386 . 2 . 2 118 118 ASP H H 1 8.388 0.003 . . . . . . . 116 D HN . 50526 2 387 . 2 . 2 118 118 ASP C C 13 176.795 0 . . . . . . . 116 D CO . 50526 2 388 . 2 . 2 118 118 ASP CA C 13 52.666 0 . . . . . . . 116 D CA . 50526 2 389 . 2 . 2 118 118 ASP CB C 13 40.957 0 . . . . . . . 116 D CB . 50526 2 390 . 2 . 2 118 118 ASP N N 15 114.827 0.015 . . . . . . . 116 D N . 50526 2 391 . 2 . 2 119 119 GLY H H 1 7.342 0.007 . . . . . . . 117 G HN . 50526 2 392 . 2 . 2 119 119 GLY C C 13 173.508 0 . . . . . . . 117 G CO . 50526 2 393 . 2 . 2 119 119 GLY CA C 13 45.401 0 . . . . . . . 117 G CA . 50526 2 394 . 2 . 2 119 119 GLY N N 15 106.88 0.046 . . . . . . . 117 G N . 50526 2 395 . 2 . 2 120 120 SER H H 1 8.409 0.001 . . . . . . . 118 S HN . 50526 2 396 . 2 . 2 120 120 SER C C 13 174.092 0 . . . . . . . 118 S CO . 50526 2 397 . 2 . 2 120 120 SER CA C 13 58.363 0 . . . . . . . 118 S CA . 50526 2 398 . 2 . 2 120 120 SER CB C 13 63.946 0 . . . . . . . 118 S CB . 50526 2 399 . 2 . 2 120 120 SER N N 15 115.815 0.013 . . . . . . . 118 S N . 50526 2 400 . 2 . 2 121 121 ILE H H 1 8.569 0.003 . . . . . . . 119 I HN . 50526 2 401 . 2 . 2 121 121 ILE C C 13 176.456 0 . . . . . . . 119 I CO . 50526 2 402 . 2 . 2 121 121 ILE CA C 13 61.437 0 . . . . . . . 119 I CA . 50526 2 403 . 2 . 2 121 121 ILE CB C 13 37.312 0 . . . . . . . 119 I CB . 50526 2 404 . 2 . 2 121 121 ILE N N 15 123.951 0.034 . . . . . . . 119 I N . 50526 2 405 . 2 . 2 122 122 CYS H H 1 9.027 0.006 . . . . . . . 120 C HN . 50526 2 406 . 2 . 2 122 122 CYS C C 13 173.466 0 . . . . . . . 120 C CO . 50526 2 407 . 2 . 2 122 122 CYS CA C 13 57.486 0 . . . . . . . 120 C CA . 50526 2 408 . 2 . 2 122 122 CYS CB C 13 28.856 0 . . . . . . . 120 C CB . 50526 2 409 . 2 . 2 122 122 CYS N N 15 128.966 0.021 . . . . . . . 120 C N . 50526 2 410 . 2 . 2 123 123 VAL H H 1 8.768 0.002 . . . . . . . 121 V HN . 50526 2 411 . 2 . 2 123 123 VAL C C 13 176.246 0 . . . . . . . 121 V CO . 50526 2 412 . 2 . 2 123 123 VAL CA C 13 63.651 0 . . . . . . . 121 V CA . 50526 2 413 . 2 . 2 123 123 VAL CB C 13 32.548 0 . . . . . . . 121 V CB . 50526 2 414 . 2 . 2 123 123 VAL N N 15 125.514 0.028 . . . . . . . 121 V N . 50526 2 415 . 2 . 2 124 124 LEU H H 1 9.045 0.003 . . . . . . . 122 L HN . 50526 2 416 . 2 . 2 124 124 LEU C C 13 176.208 0 . . . . . . . 122 L CO . 50526 2 417 . 2 . 2 124 124 LEU CA C 13 55.299 0 . . . . . . . 122 L CA . 50526 2 418 . 2 . 2 124 124 LEU CB C 13 45.354 0 . . . . . . . 122 L CB . 50526 2 419 . 2 . 2 124 124 LEU N N 15 128.414 0.02 . . . . . . . 122 L N . 50526 2 420 . 2 . 2 125 125 TYR H H 1 7.945 0.005 . . . . . . . 123 Y HN . 50526 2 421 . 2 . 2 125 125 TYR C C 13 172.463 0 . . . . . . . 123 Y CO . 50526 2 422 . 2 . 2 125 125 TYR CA C 13 57.676 0 . . . . . . . 123 Y CA . 50526 2 423 . 2 . 2 125 125 TYR CB C 13 42.122 0 . . . . . . . 123 Y CB . 50526 2 424 . 2 . 2 125 125 TYR N N 15 120.694 0.025 . . . . . . . 123 Y N . 50526 2 425 . 2 . 2 126 126 GLU H H 1 7.885 0.001 . . . . . . . 124 E HN . 50526 2 426 . 2 . 2 126 126 GLU C C 13 173.871 0 . . . . . . . 124 E CO . 50526 2 427 . 2 . 2 126 126 GLU CA C 13 54.676 0 . . . . . . . 124 E CA . 50526 2 428 . 2 . 2 126 126 GLU CB C 13 31.989 0 . . . . . . . 124 E CB . 50526 2 429 . 2 . 2 126 126 GLU N N 15 126.843 0.009 . . . . . . . 124 E N . 50526 2 430 . 2 . 2 127 127 GLU H H 1 8.187 0.005 . . . . . . . 125 E HN . 50526 2 431 . 2 . 2 127 127 GLU C C 13 174.304 0 . . . . . . . 125 E CO . 50526 2 432 . 2 . 2 127 127 GLU CA C 13 55.959 0 . . . . . . . 125 E CA . 50526 2 433 . 2 . 2 127 127 GLU CB C 13 31.221 0 . . . . . . . 125 E CB . 50526 2 434 . 2 . 2 127 127 GLU N N 15 125.492 0.009 . . . . . . . 125 E N . 50526 2 435 . 2 . 2 128 128 ALA H H 1 8.073 0.001 . . . . . . . 126 A HN . 50526 2 436 . 2 . 2 128 128 ALA C C 13 174.304 0 . . . . . . . 126 A CO . 50526 2 437 . 2 . 2 128 128 ALA CA C 13 53.762 0 . . . . . . . 126 A CA . 50526 2 438 . 2 . 2 128 128 ALA CB C 13 20.21 0 . . . . . . . 126 A CB . 50526 2 439 . 2 . 2 128 128 ALA N N 15 132.7 0.006 . . . . . . . 126 A N . 50526 2 stop_ save_