data_34727 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34727 _Entry.Title ; RNA binding induces an allosteric switch in Cyp33 to repress MLL1 mediated transcription ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-31 _Entry.Accession_date 2022-03-31 _Entry.Last_release_date 2022-04-06 _Entry.Original_release_date 2022-04-06 _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 NMR' _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 M. Blatter M. . . . 34727 2 F. Allain F. . . . 34727 3 C. Meylan C. . . . 34727 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EPIGENETIC . 34727 H3K4me3 . 34727 'HISTONE 3' . 34727 'MLL1 Transcription regulation' . 34727 'RNA BINDING PROTEIN-STRUCTURAL PROTEIN COMPLEX' . 34727 RRM . 34727 TRANSCRIPTION . 34727 'infant leukemia' . 34727 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 34727 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 547 34727 '15N chemical shifts' 173 34727 '1H chemical shifts' 1152 34727 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-06-02 2021-05-12 update BMRB 'update entry citation' 34727 1 . . 2022-04-11 2021-05-12 original author 'original release' 34727 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ZEY 'BMRB Entry Tracking System' 34727 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34727 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37075125 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 9 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD 0353 _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 eadf5330 _Citation.Page_last eadf5330 _Citation.Year 2023 _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 Markus Blatter M. . . . 34727 1 2 Charlotte Meylan C. . . . 34727 1 3 Antoine Clery A. . . . 34727 1 4 Roberto Giambruno R. . . . 34727 1 5 Yaroslav Nikolaev Y. . . . 34727 1 6 Michel Heidecker M. . . . 34727 1 7 'Jessica Arvindbhai' Solanki J. A. . . 34727 1 8 Manuel Diaz M. O. . . 34727 1 9 Davide Gabellini D. . . . 34727 1 10 'Frederic H-T' Allain F. H. . . 34727 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34727 _Assembly.ID 1 _Assembly.Name 'Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 34727 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34727 1 3 unit_3 3 $entity_ZN C B no . . . . . . 34727 1 4 unit_4 3 $entity_ZN D B no . . . . . . 34727 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 2 CYS 6 6 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 2 coordination single . 2 . 2 CYS 9 9 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 3 coordination single . 2 . 2 CYS 25 25 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 4 coordination single . 2 . 2 CYS 28 28 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 5 coordination single . 2 . 2 HIS 33 33 ND1 . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 6 coordination single . 2 . 2 CYS 36 36 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 7 coordination single . 2 . 2 CYS 58 58 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 8 coordination single . 2 . 2 CYS 61 61 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34727 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34727 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGHMATTKRVLYVGGLAEEV DDKVLHAAFIPFGDITDIQI PLDYETEKHRGFAFVEFELA EDAAAAIDNMNESELFGRTI RVNLAKPMRIKEGSSRPVWS DDDWLKKFSGKTLEENK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'RRM (UNP RESIDUES 1-114)' _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13189.849 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cyclophilin E' common 34727 1 Cyclophilin-33 common 34727 1 'PPIase E' common 34727 1 'Rotamase E' common 34727 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 34727 1 2 . GLY . 34727 1 3 . HIS . 34727 1 4 . MET . 34727 1 5 . ALA . 34727 1 6 . THR . 34727 1 7 . THR . 34727 1 8 . LYS . 34727 1 9 . ARG . 34727 1 10 . VAL . 34727 1 11 . LEU . 34727 1 12 . TYR . 34727 1 13 . VAL . 34727 1 14 . GLY . 34727 1 15 . GLY . 34727 1 16 . LEU . 34727 1 17 . ALA . 34727 1 18 . GLU . 34727 1 19 . GLU . 34727 1 20 . VAL . 34727 1 21 . ASP . 34727 1 22 . ASP . 34727 1 23 . LYS . 34727 1 24 . VAL . 34727 1 25 . LEU . 34727 1 26 . HIS . 34727 1 27 . ALA . 34727 1 28 . ALA . 34727 1 29 . PHE . 34727 1 30 . ILE . 34727 1 31 . PRO . 34727 1 32 . PHE . 34727 1 33 . GLY . 34727 1 34 . ASP . 34727 1 35 . ILE . 34727 1 36 . THR . 34727 1 37 . ASP . 34727 1 38 . ILE . 34727 1 39 . GLN . 34727 1 40 . ILE . 34727 1 41 . PRO . 34727 1 42 . LEU . 34727 1 43 . ASP . 34727 1 44 . TYR . 34727 1 45 . GLU . 34727 1 46 . THR . 34727 1 47 . GLU . 34727 1 48 . LYS . 34727 1 49 . HIS . 34727 1 50 . ARG . 34727 1 51 . GLY . 34727 1 52 . PHE . 34727 1 53 . ALA . 34727 1 54 . PHE . 34727 1 55 . VAL . 34727 1 56 . GLU . 34727 1 57 . PHE . 34727 1 58 . GLU . 34727 1 59 . LEU . 34727 1 60 . ALA . 34727 1 61 . GLU . 34727 1 62 . ASP . 34727 1 63 . ALA . 34727 1 64 . ALA . 34727 1 65 . ALA . 34727 1 66 . ALA . 34727 1 67 . ILE . 34727 1 68 . ASP . 34727 1 69 . ASN . 34727 1 70 . MET . 34727 1 71 . ASN . 34727 1 72 . GLU . 34727 1 73 . SER . 34727 1 74 . GLU . 34727 1 75 . LEU . 34727 1 76 . PHE . 34727 1 77 . GLY . 34727 1 78 . ARG . 34727 1 79 . THR . 34727 1 80 . ILE . 34727 1 81 . ARG . 34727 1 82 . VAL . 34727 1 83 . ASN . 34727 1 84 . LEU . 34727 1 85 . ALA . 34727 1 86 . LYS . 34727 1 87 . PRO . 34727 1 88 . MET . 34727 1 89 . ARG . 34727 1 90 . ILE . 34727 1 91 . LYS . 34727 1 92 . GLU . 34727 1 93 . GLY . 34727 1 94 . SER . 34727 1 95 . SER . 34727 1 96 . ARG . 34727 1 97 . PRO . 34727 1 98 . VAL . 34727 1 99 . TRP . 34727 1 100 . SER . 34727 1 101 . ASP . 34727 1 102 . ASP . 34727 1 103 . ASP . 34727 1 104 . TRP . 34727 1 105 . LEU . 34727 1 106 . LYS . 34727 1 107 . LYS . 34727 1 108 . PHE . 34727 1 109 . SER . 34727 1 110 . GLY . 34727 1 111 . LYS . 34727 1 112 . THR . 34727 1 113 . LEU . 34727 1 114 . GLU . 34727 1 115 . GLU . 34727 1 116 . ASN . 34727 1 117 . LYS . 34727 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 . ALA 1 1 34727 1 . GLY 2 2 34727 1 . HIS 3 3 34727 1 . MET 4 4 34727 1 . ALA 5 5 34727 1 . THR 6 6 34727 1 . THR 7 7 34727 1 . LYS 8 8 34727 1 . ARG 9 9 34727 1 . VAL 10 10 34727 1 . LEU 11 11 34727 1 . TYR 12 12 34727 1 . VAL 13 13 34727 1 . GLY 14 14 34727 1 . GLY 15 15 34727 1 . LEU 16 16 34727 1 . ALA 17 17 34727 1 . GLU 18 18 34727 1 . GLU 19 19 34727 1 . VAL 20 20 34727 1 . ASP 21 21 34727 1 . ASP 22 22 34727 1 . LYS 23 23 34727 1 . VAL 24 24 34727 1 . LEU 25 25 34727 1 . HIS 26 26 34727 1 . ALA 27 27 34727 1 . ALA 28 28 34727 1 . PHE 29 29 34727 1 . ILE 30 30 34727 1 . PRO 31 31 34727 1 . PHE 32 32 34727 1 . GLY 33 33 34727 1 . ASP 34 34 34727 1 . ILE 35 35 34727 1 . THR 36 36 34727 1 . ASP 37 37 34727 1 . ILE 38 38 34727 1 . GLN 39 39 34727 1 . ILE 40 40 34727 1 . PRO 41 41 34727 1 . LEU 42 42 34727 1 . ASP 43 43 34727 1 . TYR 44 44 34727 1 . GLU 45 45 34727 1 . THR 46 46 34727 1 . GLU 47 47 34727 1 . LYS 48 48 34727 1 . HIS 49 49 34727 1 . ARG 50 50 34727 1 . GLY 51 51 34727 1 . PHE 52 52 34727 1 . ALA 53 53 34727 1 . PHE 54 54 34727 1 . VAL 55 55 34727 1 . GLU 56 56 34727 1 . PHE 57 57 34727 1 . GLU 58 58 34727 1 . LEU 59 59 34727 1 . ALA 60 60 34727 1 . GLU 61 61 34727 1 . ASP 62 62 34727 1 . ALA 63 63 34727 1 . ALA 64 64 34727 1 . ALA 65 65 34727 1 . ALA 66 66 34727 1 . ILE 67 67 34727 1 . ASP 68 68 34727 1 . ASN 69 69 34727 1 . MET 70 70 34727 1 . ASN 71 71 34727 1 . GLU 72 72 34727 1 . SER 73 73 34727 1 . GLU 74 74 34727 1 . LEU 75 75 34727 1 . PHE 76 76 34727 1 . GLY 77 77 34727 1 . ARG 78 78 34727 1 . THR 79 79 34727 1 . ILE 80 80 34727 1 . ARG 81 81 34727 1 . VAL 82 82 34727 1 . ASN 83 83 34727 1 . LEU 84 84 34727 1 . ALA 85 85 34727 1 . LYS 86 86 34727 1 . PRO 87 87 34727 1 . MET 88 88 34727 1 . ARG 89 89 34727 1 . ILE 90 90 34727 1 . LYS 91 91 34727 1 . GLU 92 92 34727 1 . GLY 93 93 34727 1 . SER 94 94 34727 1 . SER 95 95 34727 1 . ARG 96 96 34727 1 . PRO 97 97 34727 1 . VAL 98 98 34727 1 . TRP 99 99 34727 1 . SER 100 100 34727 1 . ASP 101 101 34727 1 . ASP 102 102 34727 1 . ASP 103 103 34727 1 . TRP 104 104 34727 1 . LEU 105 105 34727 1 . LYS 106 106 34727 1 . LYS 107 107 34727 1 . PHE 108 108 34727 1 . SER 109 109 34727 1 . GLY 110 110 34727 1 . LYS 111 111 34727 1 . THR 112 112 34727 1 . LEU 113 113 34727 1 . GLU 114 114 34727 1 . GLU 115 115 34727 1 . ASN 116 116 34727 1 . LYS 117 117 34727 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34727 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AKGNFCPLCDKCYDDDDYES KMMQCGKCDRWVHSKCENLS DEMYEILSNLPESVAYTCVN CTER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'PHD ZINC FINGER (UNP RESIDUES 1564-1627)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7437.360 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal cleavage product of 320 kDa' common 34727 2 p320 common 34727 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 34727 2 2 . LYS . 34727 2 3 . GLY . 34727 2 4 . ASN . 34727 2 5 . PHE . 34727 2 6 . CYS . 34727 2 7 . PRO . 34727 2 8 . LEU . 34727 2 9 . CYS . 34727 2 10 . ASP . 34727 2 11 . LYS . 34727 2 12 . CYS . 34727 2 13 . TYR . 34727 2 14 . ASP . 34727 2 15 . ASP . 34727 2 16 . ASP . 34727 2 17 . ASP . 34727 2 18 . TYR . 34727 2 19 . GLU . 34727 2 20 . SER . 34727 2 21 . LYS . 34727 2 22 . MET . 34727 2 23 . MET . 34727 2 24 . GLN . 34727 2 25 . CYS . 34727 2 26 . GLY . 34727 2 27 . LYS . 34727 2 28 . CYS . 34727 2 29 . ASP . 34727 2 30 . ARG . 34727 2 31 . TRP . 34727 2 32 . VAL . 34727 2 33 . HIS . 34727 2 34 . SER . 34727 2 35 . LYS . 34727 2 36 . CYS . 34727 2 37 . GLU . 34727 2 38 . ASN . 34727 2 39 . LEU . 34727 2 40 . SER . 34727 2 41 . ASP . 34727 2 42 . GLU . 34727 2 43 . MET . 34727 2 44 . TYR . 34727 2 45 . GLU . 34727 2 46 . ILE . 34727 2 47 . LEU . 34727 2 48 . SER . 34727 2 49 . ASN . 34727 2 50 . LEU . 34727 2 51 . PRO . 34727 2 52 . GLU . 34727 2 53 . SER . 34727 2 54 . VAL . 34727 2 55 . ALA . 34727 2 56 . TYR . 34727 2 57 . THR . 34727 2 58 . CYS . 34727 2 59 . VAL . 34727 2 60 . ASN . 34727 2 61 . CYS . 34727 2 62 . THR . 34727 2 63 . GLU . 34727 2 64 . ARG . 34727 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 . ALA 1 1 34727 2 . LYS 2 2 34727 2 . GLY 3 3 34727 2 . ASN 4 4 34727 2 . PHE 5 5 34727 2 . CYS 6 6 34727 2 . PRO 7 7 34727 2 . LEU 8 8 34727 2 . CYS 9 9 34727 2 . ASP 10 10 34727 2 . LYS 11 11 34727 2 . CYS 12 12 34727 2 . TYR 13 13 34727 2 . ASP 14 14 34727 2 . ASP 15 15 34727 2 . ASP 16 16 34727 2 . ASP 17 17 34727 2 . TYR 18 18 34727 2 . GLU 19 19 34727 2 . SER 20 20 34727 2 . LYS 21 21 34727 2 . MET 22 22 34727 2 . MET 23 23 34727 2 . GLN 24 24 34727 2 . CYS 25 25 34727 2 . GLY 26 26 34727 2 . LYS 27 27 34727 2 . CYS 28 28 34727 2 . ASP 29 29 34727 2 . ARG 30 30 34727 2 . TRP 31 31 34727 2 . VAL 32 32 34727 2 . HIS 33 33 34727 2 . SER 34 34 34727 2 . LYS 35 35 34727 2 . CYS 36 36 34727 2 . GLU 37 37 34727 2 . ASN 38 38 34727 2 . LEU 39 39 34727 2 . SER 40 40 34727 2 . ASP 41 41 34727 2 . GLU 42 42 34727 2 . MET 43 43 34727 2 . TYR 44 44 34727 2 . GLU 45 45 34727 2 . ILE 46 46 34727 2 . LEU 47 47 34727 2 . SER 48 48 34727 2 . ASN 49 49 34727 2 . LEU 50 50 34727 2 . PRO 51 51 34727 2 . GLU 52 52 34727 2 . SER 53 53 34727 2 . VAL 54 54 34727 2 . ALA 55 55 34727 2 . TYR 56 56 34727 2 . THR 57 57 34727 2 . CYS 58 58 34727 2 . VAL 59 59 34727 2 . ASN 60 60 34727 2 . CYS 61 61 34727 2 . THR 62 62 34727 2 . GLU 63 63 34727 2 . ARG 64 64 34727 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34727 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34727 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34727 3 ZN 'Three letter code' 34727 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 34727 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34727 _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 . . 'Homo sapiens' human . . . . Homo sapiens . . . . . . . . . . . 'PPIE, CYP33' . 34727 1 2 2 $entity_2 . 9606 . . 'Homo sapiens' human . . . . Homo sapiens . . . . . . . . . . . 'KMT2A, ALL1, CXXC7, HRX, HTRX, MLL, MLL1, TRX1' . 34727 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34727 _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' . . 562 Escherichia coli . . . PLASMID . . PTYB12 . . . 34727 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . PLASMID . . PTYB11 . . . 34727 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 34727 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34727 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34727 ZN [Zn++] SMILES CACTVS 3.341 34727 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34727 ZN [Zn+2] SMILES ACDLabs 10.04 34727 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34727 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34727 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34727 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34727 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34727 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34727 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM [U-100% 15N] HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _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 'PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E' '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34727 1 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' '[U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34727 1 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 1 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 1 5 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 34727 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34727 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM [U-100% 13C; U-100% 15N] HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _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 'PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34727 2 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34727 2 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 2 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 2 5 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 34727 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34727 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _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 'PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34727 3 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 34727 3 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 3 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 3 5 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 34727 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34727 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM [U-100% 13C; U-100% 15N] HISTONE-LYSINE N-METHYLTRANSFERASE 2A, 40 mM sodium chloride, 40 mM sodium phosphate, 50 uM zinc chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _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 'PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E' 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 34727 4 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34727 4 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 4 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34727 4 5 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 34727 4 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 34727 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 80 . mM 34727 1 pH 7 . pH 34727 1 pressure 1 . atm 34727 1 temperature 310.15 . K 34727 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34727 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34727 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34727 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34727 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34727 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34727 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34727 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34727 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34727 3 'peak picking' . 34727 3 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 34727 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34727 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34727 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 900 . . . 34727 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 34727 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34727 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34727 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34727 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34727 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 8 '3D F3-FILTERED- F2-EDITED 13C NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 9 '2D F2- FILTERED NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 10 '2D F2- FILTERED NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34727 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34727 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34727 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34727 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 1 18 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34727 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 34727 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 34727 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34727 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34727 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_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 34727 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' . . . 34727 1 2 '2D 1H-13C HSQC aliphatic' . . . 34727 1 3 '2D 1H-13C HSQC aromatic' . . . 34727 1 4 '3D 1H-15N NOESY' . . . 34727 1 5 '3D 1H-13C NOESY aliphatic' . . . 34727 1 6 '3D 1H-13C NOESY aromatic' . . . 34727 1 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34727 1 8 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34727 1 9 '2D F2- FILTERED NOESY' . . . 34727 1 10 '2D F2- FILTERED NOESY' . . . 34727 1 11 '2D 1H-13C HSQC aliphatic' . . . 34727 1 12 '2D 1H-13C HSQC aliphatic' . . . 34727 1 13 '2D 1H-13C HSQC aromatic' . . . 34727 1 14 '2D 1H-13C HSQC aromatic' . . . 34727 1 15 '3D 1H-13C NOESY aliphatic' . . . 34727 1 16 '3D 1H-13C NOESY aliphatic' . . . 34727 1 17 '3D 1H-13C NOESY aromatic' . . . 34727 1 18 '3D 1H-13C NOESY aromatic' . . . 34727 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 . 2 . 2 1 1 ALA HA H 1 4.237 0.000 . . . . . . B 1564 ALA HA . 34727 1 2 . 2 . 2 1 1 ALA HB1 H 1 1.313 0.000 . . . . . . B 1564 ALA HB1 . 34727 1 3 . 2 . 2 1 1 ALA HB2 H 1 1.313 0.000 . . . . . . B 1564 ALA HB2 . 34727 1 4 . 2 . 2 1 1 ALA HB3 H 1 1.313 0.000 . . . . . . B 1564 ALA HB3 . 34727 1 5 . 2 . 2 1 1 ALA CA C 13 52.763 0.000 . . . . . . B 1564 ALA CA . 34727 1 6 . 2 . 2 1 1 ALA CB C 13 19.381 0.000 . . . . . . B 1564 ALA CB . 34727 1 7 . 2 . 2 2 2 LYS H H 1 8.168 0.000 . . . . . . B 1565 LYS H . 34727 1 8 . 2 . 2 2 2 LYS HA H 1 4.235 0.001 . . . . . . B 1565 LYS HA . 34727 1 9 . 2 . 2 2 2 LYS HB2 H 1 1.768 0.003 . . . . . . B 1565 LYS HB2 . 34727 1 10 . 2 . 2 2 2 LYS HB3 H 1 1.689 0.000 . . . . . . B 1565 LYS HB3 . 34727 1 11 . 2 . 2 2 2 LYS HG2 H 1 1.312 0.015 . . . . . . B 1565 LYS HG2 . 34727 1 12 . 2 . 2 2 2 LYS HG3 H 1 1.312 0.015 . . . . . . B 1565 LYS HG3 . 34727 1 13 . 2 . 2 2 2 LYS HD2 H 1 1.715 0.000 . . . . . . B 1565 LYS HD2 . 34727 1 14 . 2 . 2 2 2 LYS HD3 H 1 1.715 0.000 . . . . . . B 1565 LYS HD3 . 34727 1 15 . 2 . 2 2 2 LYS HE2 H 1 2.948 0.002 . . . . . . B 1565 LYS HE2 . 34727 1 16 . 2 . 2 2 2 LYS HE3 H 1 2.948 0.002 . . . . . . B 1565 LYS HE3 . 34727 1 17 . 2 . 2 2 2 LYS CA C 13 56.596 0.000 . . . . . . B 1565 LYS CA . 34727 1 18 . 2 . 2 2 2 LYS CB C 13 33.106 0.001 . . . . . . B 1565 LYS CB . 34727 1 19 . 2 . 2 2 2 LYS CG C 13 24.789 0.000 . . . . . . B 1565 LYS CG . 34727 1 20 . 2 . 2 2 2 LYS CD C 13 27.774 0.000 . . . . . . B 1565 LYS CD . 34727 1 21 . 2 . 2 2 2 LYS CE C 13 42.264 0.000 . . . . . . B 1565 LYS CE . 34727 1 22 . 2 . 2 2 2 LYS N N 15 119.952 0.000 . . . . . . B 1565 LYS N . 34727 1 23 . 2 . 2 3 3 GLY H H 1 8.227 0.001 . . . . . . B 1566 GLY H . 34727 1 24 . 2 . 2 3 3 GLY HA2 H 1 3.942 0.000 . . . . . . B 1566 GLY HA2 . 34727 1 25 . 2 . 2 3 3 GLY HA3 H 1 3.907 0.000 . . . . . . B 1566 GLY HA3 . 34727 1 26 . 2 . 2 3 3 GLY CA C 13 45.386 0.001 . . . . . . B 1566 GLY CA . 34727 1 27 . 2 . 2 3 3 GLY N N 15 109.415 0.012 . . . . . . B 1566 GLY N . 34727 1 28 . 2 . 2 4 4 ASN H H 1 8.175 0.000 . . . . . . B 1567 ASN H . 34727 1 29 . 2 . 2 4 4 ASN HA H 1 4.805 0.000 . . . . . . B 1567 ASN HA . 34727 1 30 . 2 . 2 4 4 ASN HB2 H 1 2.755 0.010 . . . . . . B 1567 ASN HB2 . 34727 1 31 . 2 . 2 4 4 ASN HB3 H 1 2.604 0.005 . . . . . . B 1567 ASN HB3 . 34727 1 32 . 2 . 2 4 4 ASN HD21 H 1 7.206 0.005 . . . . . . B 1567 ASN HD21 . 34727 1 33 . 2 . 2 4 4 ASN HD22 H 1 6.768 0.000 . . . . . . B 1567 ASN HD22 . 34727 1 34 . 2 . 2 4 4 ASN CA C 13 52.959 0.000 . . . . . . B 1567 ASN CA . 34727 1 35 . 2 . 2 4 4 ASN CB C 13 39.242 0.012 . . . . . . B 1567 ASN CB . 34727 1 36 . 2 . 2 4 4 ASN N N 15 118.482 0.000 . . . . . . B 1567 ASN N . 34727 1 37 . 2 . 2 4 4 ASN ND2 N 15 112.976 0.027 . . . . . . B 1567 ASN ND2 . 34727 1 38 . 2 . 2 5 5 PHE HA H 1 4.333 0.000 . . . . . . B 1568 PHE HA . 34727 1 39 . 2 . 2 5 5 PHE HB2 H 1 3.028 0.000 . . . . . . B 1568 PHE HB2 . 34727 1 40 . 2 . 2 5 5 PHE HB3 H 1 3.028 0.000 . . . . . . B 1568 PHE HB3 . 34727 1 41 . 2 . 2 5 5 PHE HD1 H 1 7.102 0.000 . . . . . . B 1568 PHE HD1 . 34727 1 42 . 2 . 2 5 5 PHE HD2 H 1 7.102 0.000 . . . . . . B 1568 PHE HD2 . 34727 1 43 . 2 . 2 5 5 PHE HE1 H 1 7.320 0.001 . . . . . . B 1568 PHE HE1 . 34727 1 44 . 2 . 2 5 5 PHE HE2 H 1 7.320 0.001 . . . . . . B 1568 PHE HE2 . 34727 1 45 . 2 . 2 5 5 PHE HZ H 1 7.337 0.000 . . . . . . B 1568 PHE HZ . 34727 1 46 . 2 . 2 5 5 PHE CA C 13 59.460 0.000 . . . . . . B 1568 PHE CA . 34727 1 47 . 2 . 2 5 5 PHE CB C 13 38.552 0.000 . . . . . . B 1568 PHE CB . 34727 1 48 . 2 . 2 5 5 PHE CD1 C 13 131.965 0.000 . . . . . . B 1568 PHE CD1 . 34727 1 49 . 2 . 2 5 5 PHE CE1 C 13 131.528 0.055 . . . . . . B 1568 PHE CE1 . 34727 1 50 . 2 . 2 5 5 PHE CZ C 13 130.011 0.000 . . . . . . B 1568 PHE CZ . 34727 1 51 . 2 . 2 6 6 CYS H H 1 8.340 0.000 . . . . . . B 1569 CYS H . 34727 1 52 . 2 . 2 6 6 CYS HA H 1 5.167 0.000 . . . . . . B 1569 CYS HA . 34727 1 53 . 2 . 2 6 6 CYS HB2 H 1 3.339 0.000 . . . . . . B 1569 CYS HB2 . 34727 1 54 . 2 . 2 6 6 CYS HB3 H 1 3.072 0.000 . . . . . . B 1569 CYS HB3 . 34727 1 55 . 2 . 2 6 6 CYS CA C 13 55.736 0.000 . . . . . . B 1569 CYS CA . 34727 1 56 . 2 . 2 6 6 CYS CB C 13 31.882 0.057 . . . . . . B 1569 CYS CB . 34727 1 57 . 2 . 2 6 6 CYS N N 15 127.724 0.000 . . . . . . B 1569 CYS N . 34727 1 58 . 2 . 2 7 7 PRO HA H 1 4.378 0.000 . . . . . . B 1570 PRO HA . 34727 1 59 . 2 . 2 7 7 PRO HB2 H 1 2.442 0.000 . . . . . . B 1570 PRO HB2 . 34727 1 60 . 2 . 2 7 7 PRO HB3 H 1 2.442 0.000 . . . . . . B 1570 PRO HB3 . 34727 1 61 . 2 . 2 7 7 PRO HG2 H 1 2.103 0.000 . . . . . . B 1570 PRO HG2 . 34727 1 62 . 2 . 2 7 7 PRO HG3 H 1 2.058 0.000 . . . . . . B 1570 PRO HG3 . 34727 1 63 . 2 . 2 7 7 PRO HD2 H 1 4.384 0.000 . . . . . . B 1570 PRO HD2 . 34727 1 64 . 2 . 2 7 7 PRO HD3 H 1 4.132 0.000 . . . . . . B 1570 PRO HD3 . 34727 1 65 . 2 . 2 7 7 PRO CA C 13 63.197 0.000 . . . . . . B 1570 PRO CA . 34727 1 66 . 2 . 2 7 7 PRO CB C 13 31.307 0.000 . . . . . . B 1570 PRO CB . 34727 1 67 . 2 . 2 7 7 PRO CG C 13 27.254 0.007 . . . . . . B 1570 PRO CG . 34727 1 68 . 2 . 2 7 7 PRO CD C 13 51.582 0.008 . . . . . . B 1570 PRO CD . 34727 1 69 . 2 . 2 8 8 LEU HA H 1 4.531 0.000 . . . . . . B 1571 LEU HA . 34727 1 70 . 2 . 2 8 8 LEU HB2 H 1 2.017 0.000 . . . . . . B 1571 LEU HB2 . 34727 1 71 . 2 . 2 8 8 LEU HB3 H 1 1.767 0.000 . . . . . . B 1571 LEU HB3 . 34727 1 72 . 2 . 2 8 8 LEU HG H 1 1.773 0.000 . . . . . . B 1571 LEU HG . 34727 1 73 . 2 . 2 8 8 LEU HD11 H 1 1.075 0.000 . . . . . . B 1571 LEU HD11 . 34727 1 74 . 2 . 2 8 8 LEU HD12 H 1 1.075 0.000 . . . . . . B 1571 LEU HD12 . 34727 1 75 . 2 . 2 8 8 LEU HD13 H 1 1.075 0.000 . . . . . . B 1571 LEU HD13 . 34727 1 76 . 2 . 2 8 8 LEU HD21 H 1 0.995 0.000 . . . . . . B 1571 LEU HD21 . 34727 1 77 . 2 . 2 8 8 LEU HD22 H 1 0.995 0.000 . . . . . . B 1571 LEU HD22 . 34727 1 78 . 2 . 2 8 8 LEU HD23 H 1 0.995 0.000 . . . . . . B 1571 LEU HD23 . 34727 1 79 . 2 . 2 8 8 LEU CA C 13 56.122 0.000 . . . . . . B 1571 LEU CA . 34727 1 80 . 2 . 2 8 8 LEU CB C 13 42.570 0.013 . . . . . . B 1571 LEU CB . 34727 1 81 . 2 . 2 8 8 LEU CG C 13 28.126 0.000 . . . . . . B 1571 LEU CG . 34727 1 82 . 2 . 2 8 8 LEU CD1 C 13 26.032 0.000 . . . . . . B 1571 LEU CD1 . 34727 1 83 . 2 . 2 8 8 LEU CD2 C 13 23.283 0.000 . . . . . . B 1571 LEU CD2 . 34727 1 84 . 2 . 2 9 9 CYS HB2 H 1 3.712 0.000 . . . . . . B 1572 CYS HB2 . 34727 1 85 . 2 . 2 9 9 CYS HB3 H 1 3.712 0.000 . . . . . . B 1572 CYS HB3 . 34727 1 86 . 2 . 2 9 9 CYS CB C 13 32.607 0.000 . . . . . . B 1572 CYS CB . 34727 1 87 . 2 . 2 10 10 ASP HA H 1 4.598 0.000 . . . . . . B 1573 ASP HA . 34727 1 88 . 2 . 2 10 10 ASP HB2 H 1 3.007 0.000 . . . . . . B 1573 ASP HB2 . 34727 1 89 . 2 . 2 10 10 ASP HB3 H 1 2.664 0.000 . . . . . . B 1573 ASP HB3 . 34727 1 90 . 2 . 2 10 10 ASP CA C 13 55.698 0.000 . . . . . . B 1573 ASP CA . 34727 1 91 . 2 . 2 10 10 ASP CB C 13 40.270 0.010 . . . . . . B 1573 ASP CB . 34727 1 92 . 2 . 2 12 12 CYS H H 1 8.470 0.000 . . . . . . B 1575 CYS H . 34727 1 93 . 2 . 2 12 12 CYS HA H 1 4.482 0.000 . . . . . . B 1575 CYS HA . 34727 1 94 . 2 . 2 12 12 CYS HB2 H 1 2.656 0.000 . . . . . . B 1575 CYS HB2 . 34727 1 95 . 2 . 2 12 12 CYS HB3 H 1 2.656 0.000 . . . . . . B 1575 CYS HB3 . 34727 1 96 . 2 . 2 12 12 CYS CA C 13 55.506 0.000 . . . . . . B 1575 CYS CA . 34727 1 97 . 2 . 2 12 12 CYS CB C 13 28.257 0.000 . . . . . . B 1575 CYS CB . 34727 1 98 . 2 . 2 12 12 CYS N N 15 121.006 0.000 . . . . . . B 1575 CYS N . 34727 1 99 . 2 . 2 13 13 TYR H H 1 8.163 0.000 . . . . . . B 1576 TYR H . 34727 1 100 . 2 . 2 13 13 TYR HA H 1 4.488 0.000 . . . . . . B 1576 TYR HA . 34727 1 101 . 2 . 2 13 13 TYR HB2 H 1 2.889 0.000 . . . . . . B 1576 TYR HB2 . 34727 1 102 . 2 . 2 13 13 TYR HB3 H 1 2.764 0.000 . . . . . . B 1576 TYR HB3 . 34727 1 103 . 2 . 2 13 13 TYR HD1 H 1 6.838 0.000 . . . . . . B 1576 TYR HD1 . 34727 1 104 . 2 . 2 13 13 TYR HD2 H 1 6.838 0.000 . . . . . . B 1576 TYR HD2 . 34727 1 105 . 2 . 2 13 13 TYR HE1 H 1 6.462 0.001 . . . . . . B 1576 TYR HE1 . 34727 1 106 . 2 . 2 13 13 TYR HE2 H 1 6.462 0.001 . . . . . . B 1576 TYR HE2 . 34727 1 107 . 2 . 2 13 13 TYR CA C 13 58.350 0.000 . . . . . . B 1576 TYR CA . 34727 1 108 . 2 . 2 13 13 TYR CB C 13 39.010 0.006 . . . . . . B 1576 TYR CB . 34727 1 109 . 2 . 2 13 13 TYR CD1 C 13 132.873 0.000 . . . . . . B 1576 TYR CD1 . 34727 1 110 . 2 . 2 13 13 TYR CE1 C 13 117.817 0.005 . . . . . . B 1576 TYR CE1 . 34727 1 111 . 2 . 2 13 13 TYR N N 15 124.433 0.000 . . . . . . B 1576 TYR N . 34727 1 112 . 2 . 2 15 15 ASP H H 1 8.126 0.000 . . . . . . B 1578 ASP H . 34727 1 113 . 2 . 2 15 15 ASP HA H 1 4.621 0.000 . . . . . . B 1578 ASP HA . 34727 1 114 . 2 . 2 15 15 ASP HB2 H 1 2.719 0.000 . . . . . . B 1578 ASP HB2 . 34727 1 115 . 2 . 2 15 15 ASP HB3 H 1 2.719 0.000 . . . . . . B 1578 ASP HB3 . 34727 1 116 . 2 . 2 15 15 ASP CA C 13 56.295 0.000 . . . . . . B 1578 ASP CA . 34727 1 117 . 2 . 2 15 15 ASP CB C 13 41.750 0.000 . . . . . . B 1578 ASP CB . 34727 1 118 . 2 . 2 15 15 ASP N N 15 120.541 0.000 . . . . . . B 1578 ASP N . 34727 1 119 . 2 . 2 16 16 ASP H H 1 8.282 0.000 . . . . . . B 1579 ASP H . 34727 1 120 . 2 . 2 16 16 ASP HA H 1 4.566 0.000 . . . . . . B 1579 ASP HA . 34727 1 121 . 2 . 2 16 16 ASP HB2 H 1 2.708 0.000 . . . . . . B 1579 ASP HB2 . 34727 1 122 . 2 . 2 16 16 ASP HB3 H 1 2.630 0.000 . . . . . . B 1579 ASP HB3 . 34727 1 123 . 2 . 2 16 16 ASP CA C 13 54.992 0.000 . . . . . . B 1579 ASP CA . 34727 1 124 . 2 . 2 16 16 ASP CB C 13 41.224 0.013 . . . . . . B 1579 ASP CB . 34727 1 125 . 2 . 2 16 16 ASP N N 15 119.590 0.000 . . . . . . B 1579 ASP N . 34727 1 126 . 2 . 2 17 17 ASP H H 1 8.071 0.000 . . . . . . B 1580 ASP H . 34727 1 127 . 2 . 2 17 17 ASP HA H 1 4.589 0.000 . . . . . . B 1580 ASP HA . 34727 1 128 . 2 . 2 17 17 ASP HB2 H 1 2.692 0.000 . . . . . . B 1580 ASP HB2 . 34727 1 129 . 2 . 2 17 17 ASP HB3 H 1 2.692 0.000 . . . . . . B 1580 ASP HB3 . 34727 1 130 . 2 . 2 17 17 ASP CA C 13 54.305 0.000 . . . . . . B 1580 ASP CA . 34727 1 131 . 2 . 2 17 17 ASP CB C 13 41.222 0.000 . . . . . . B 1580 ASP CB . 34727 1 132 . 2 . 2 17 17 ASP N N 15 119.772 0.000 . . . . . . B 1580 ASP N . 34727 1 133 . 2 . 2 18 18 TYR H H 1 8.091 0.000 . . . . . . B 1581 TYR H . 34727 1 134 . 2 . 2 18 18 TYR HB2 H 1 2.969 0.000 . . . . . . B 1581 TYR HB2 . 34727 1 135 . 2 . 2 18 18 TYR HB3 H 1 2.969 0.000 . . . . . . B 1581 TYR HB3 . 34727 1 136 . 2 . 2 18 18 TYR HD1 H 1 6.786 0.000 . . . . . . B 1581 TYR HD1 . 34727 1 137 . 2 . 2 18 18 TYR HD2 H 1 6.786 0.000 . . . . . . B 1581 TYR HD2 . 34727 1 138 . 2 . 2 18 18 TYR HE1 H 1 6.584 0.003 . . . . . . B 1581 TYR HE1 . 34727 1 139 . 2 . 2 18 18 TYR HE2 H 1 6.584 0.003 . . . . . . B 1581 TYR HE2 . 34727 1 140 . 2 . 2 18 18 TYR CB C 13 38.715 0.000 . . . . . . B 1581 TYR CB . 34727 1 141 . 2 . 2 18 18 TYR CD1 C 13 132.885 0.000 . . . . . . B 1581 TYR CD1 . 34727 1 142 . 2 . 2 18 18 TYR CE1 C 13 118.140 0.000 . . . . . . B 1581 TYR CE1 . 34727 1 143 . 2 . 2 18 18 TYR N N 15 121.394 0.000 . . . . . . B 1581 TYR N . 34727 1 144 . 2 . 2 19 19 GLU H H 1 8.249 0.000 . . . . . . B 1582 GLU H . 34727 1 145 . 2 . 2 19 19 GLU HA H 1 4.204 0.000 . . . . . . B 1582 GLU HA . 34727 1 146 . 2 . 2 19 19 GLU CA C 13 57.083 0.000 . . . . . . B 1582 GLU CA . 34727 1 147 . 2 . 2 19 19 GLU N N 15 118.909 0.000 . . . . . . B 1582 GLU N . 34727 1 148 . 2 . 2 20 20 SER H H 1 7.849 0.005 . . . . . . B 1583 SER H . 34727 1 149 . 2 . 2 20 20 SER HA H 1 4.315 0.000 . . . . . . B 1583 SER HA . 34727 1 150 . 2 . 2 20 20 SER HB2 H 1 3.874 0.014 . . . . . . B 1583 SER HB2 . 34727 1 151 . 2 . 2 20 20 SER HB3 H 1 3.874 0.014 . . . . . . B 1583 SER HB3 . 34727 1 152 . 2 . 2 20 20 SER CA C 13 58.918 0.000 . . . . . . B 1583 SER CA . 34727 1 153 . 2 . 2 20 20 SER CB C 13 64.130 0.000 . . . . . . B 1583 SER CB . 34727 1 154 . 2 . 2 20 20 SER N N 15 115.171 0.000 . . . . . . B 1583 SER N . 34727 1 155 . 2 . 2 21 21 LYS H H 1 7.982 0.002 . . . . . . B 1584 LYS H . 34727 1 156 . 2 . 2 21 21 LYS HB2 H 1 1.765 0.000 . . . . . . B 1584 LYS HB2 . 34727 1 157 . 2 . 2 21 21 LYS HB3 H 1 1.765 0.000 . . . . . . B 1584 LYS HB3 . 34727 1 158 . 2 . 2 21 21 LYS CB C 13 32.165 0.000 . . . . . . B 1584 LYS CB . 34727 1 159 . 2 . 2 21 21 LYS N N 15 122.131 0.000 . . . . . . B 1584 LYS N . 34727 1 160 . 2 . 2 22 22 MET H H 1 8.624 0.000 . . . . . . B 1585 MET H . 34727 1 161 . 2 . 2 22 22 MET HA H 1 5.316 0.000 . . . . . . B 1585 MET HA . 34727 1 162 . 2 . 2 22 22 MET HB2 H 1 2.063 0.034 . . . . . . B 1585 MET HB2 . 34727 1 163 . 2 . 2 22 22 MET HB3 H 1 1.914 0.000 . . . . . . B 1585 MET HB3 . 34727 1 164 . 2 . 2 22 22 MET HG2 H 1 2.517 0.007 . . . . . . B 1585 MET HG2 . 34727 1 165 . 2 . 2 22 22 MET HG3 H 1 2.242 0.021 . . . . . . B 1585 MET HG3 . 34727 1 166 . 2 . 2 22 22 MET HE1 H 1 1.248 0.000 . . . . . . B 1585 MET HE1 . 34727 1 167 . 2 . 2 22 22 MET HE2 H 1 1.248 0.000 . . . . . . B 1585 MET HE2 . 34727 1 168 . 2 . 2 22 22 MET HE3 H 1 1.248 0.000 . . . . . . B 1585 MET HE3 . 34727 1 169 . 2 . 2 22 22 MET CA C 13 55.120 0.000 . . . . . . B 1585 MET CA . 34727 1 170 . 2 . 2 22 22 MET CB C 13 36.761 0.005 . . . . . . B 1585 MET CB . 34727 1 171 . 2 . 2 22 22 MET CG C 13 32.648 0.035 . . . . . . B 1585 MET CG . 34727 1 172 . 2 . 2 22 22 MET CE C 13 16.516 0.000 . . . . . . B 1585 MET CE . 34727 1 173 . 2 . 2 22 22 MET N N 15 121.532 0.000 . . . . . . B 1585 MET N . 34727 1 174 . 2 . 2 23 23 MET H H 1 9.580 0.000 . . . . . . B 1586 MET H . 34727 1 175 . 2 . 2 23 23 MET HA H 1 4.854 0.000 . . . . . . B 1586 MET HA . 34727 1 176 . 2 . 2 23 23 MET HB2 H 1 1.667 0.000 . . . . . . B 1586 MET HB2 . 34727 1 177 . 2 . 2 23 23 MET HB3 H 1 1.584 0.000 . . . . . . B 1586 MET HB3 . 34727 1 178 . 2 . 2 23 23 MET HG2 H 1 2.052 0.000 . . . . . . B 1586 MET HG2 . 34727 1 179 . 2 . 2 23 23 MET HG3 H 1 1.959 0.000 . . . . . . B 1586 MET HG3 . 34727 1 180 . 2 . 2 23 23 MET HE1 H 1 1.538 0.000 . . . . . . B 1586 MET HE1 . 34727 1 181 . 2 . 2 23 23 MET HE2 H 1 1.538 0.000 . . . . . . B 1586 MET HE2 . 34727 1 182 . 2 . 2 23 23 MET HE3 H 1 1.538 0.000 . . . . . . B 1586 MET HE3 . 34727 1 183 . 2 . 2 23 23 MET CA C 13 54.139 0.000 . . . . . . B 1586 MET CA . 34727 1 184 . 2 . 2 23 23 MET CB C 13 35.958 0.012 . . . . . . B 1586 MET CB . 34727 1 185 . 2 . 2 23 23 MET CG C 13 30.729 0.009 . . . . . . B 1586 MET CG . 34727 1 186 . 2 . 2 23 23 MET CE C 13 17.130 0.000 . . . . . . B 1586 MET CE . 34727 1 187 . 2 . 2 23 23 MET N N 15 118.047 0.000 . . . . . . B 1586 MET N . 34727 1 188 . 2 . 2 24 24 GLN H H 1 8.360 0.000 . . . . . . B 1587 GLN H . 34727 1 189 . 2 . 2 24 24 GLN HA H 1 4.852 0.000 . . . . . . B 1587 GLN HA . 34727 1 190 . 2 . 2 24 24 GLN HB2 H 1 1.277 0.000 . . . . . . B 1587 GLN HB2 . 34727 1 191 . 2 . 2 24 24 GLN HB3 H 1 1.277 0.000 . . . . . . B 1587 GLN HB3 . 34727 1 192 . 2 . 2 24 24 GLN HG2 H 1 1.429 0.000 . . . . . . B 1587 GLN HG2 . 34727 1 193 . 2 . 2 24 24 GLN HG3 H 1 0.785 0.006 . . . . . . B 1587 GLN HG3 . 34727 1 194 . 2 . 2 24 24 GLN HE21 H 1 6.904 0.013 . . . . . . B 1587 GLN HE21 . 34727 1 195 . 2 . 2 24 24 GLN HE22 H 1 6.459 0.003 . . . . . . B 1587 GLN HE22 . 34727 1 196 . 2 . 2 24 24 GLN CA C 13 53.792 0.000 . . . . . . B 1587 GLN CA . 34727 1 197 . 2 . 2 24 24 GLN CB C 13 29.551 0.000 . . . . . . B 1587 GLN CB . 34727 1 198 . 2 . 2 24 24 GLN CG C 13 33.161 0.010 . . . . . . B 1587 GLN CG . 34727 1 199 . 2 . 2 24 24 GLN N N 15 123.140 0.000 . . . . . . B 1587 GLN N . 34727 1 200 . 2 . 2 24 24 GLN NE2 N 15 109.929 0.001 . . . . . . B 1587 GLN NE2 . 34727 1 201 . 2 . 2 25 25 CYS H H 1 8.586 0.000 . . . . . . B 1588 CYS H . 34727 1 202 . 2 . 2 25 25 CYS HA H 1 4.493 0.000 . . . . . . B 1588 CYS HA . 34727 1 203 . 2 . 2 25 25 CYS HB2 H 1 2.582 0.000 . . . . . . B 1588 CYS HB2 . 34727 1 204 . 2 . 2 25 25 CYS HB3 H 1 3.468 0.000 . . . . . . B 1588 CYS HB3 . 34727 1 205 . 2 . 2 25 25 CYS CA C 13 58.749 0.000 . . . . . . B 1588 CYS CA . 34727 1 206 . 2 . 2 25 25 CYS CB C 13 32.045 0.003 . . . . . . B 1588 CYS CB . 34727 1 207 . 2 . 2 25 25 CYS N N 15 127.464 0.000 . . . . . . B 1588 CYS N . 34727 1 208 . 2 . 2 26 26 GLY H H 1 9.508 0.000 . . . . . . B 1589 GLY H . 34727 1 209 . 2 . 2 26 26 GLY HA2 H 1 4.113 0.000 . . . . . . B 1589 GLY HA2 . 34727 1 210 . 2 . 2 26 26 GLY HA3 H 1 3.600 0.000 . . . . . . B 1589 GLY HA3 . 34727 1 211 . 2 . 2 26 26 GLY CA C 13 46.722 0.002 . . . . . . B 1589 GLY CA . 34727 1 212 . 2 . 2 26 26 GLY N N 15 116.995 0.000 . . . . . . B 1589 GLY N . 34727 1 213 . 2 . 2 27 27 LYS H H 1 9.360 0.000 . . . . . . B 1590 LYS H . 34727 1 214 . 2 . 2 27 27 LYS HA H 1 4.310 0.000 . . . . . . B 1590 LYS HA . 34727 1 215 . 2 . 2 27 27 LYS HB2 H 1 2.251 0.000 . . . . . . B 1590 LYS HB2 . 34727 1 216 . 2 . 2 27 27 LYS HB3 H 1 1.887 0.000 . . . . . . B 1590 LYS HB3 . 34727 1 217 . 2 . 2 27 27 LYS HG2 H 1 1.393 0.000 . . . . . . B 1590 LYS HG2 . 34727 1 218 . 2 . 2 27 27 LYS HG3 H 1 1.393 0.000 . . . . . . B 1590 LYS HG3 . 34727 1 219 . 2 . 2 27 27 LYS HD2 H 1 1.660 0.000 . . . . . . B 1590 LYS HD2 . 34727 1 220 . 2 . 2 27 27 LYS HD3 H 1 1.660 0.000 . . . . . . B 1590 LYS HD3 . 34727 1 221 . 2 . 2 27 27 LYS HE2 H 1 2.893 0.000 . . . . . . B 1590 LYS HE2 . 34727 1 222 . 2 . 2 27 27 LYS HE3 H 1 2.893 0.000 . . . . . . B 1590 LYS HE3 . 34727 1 223 . 2 . 2 27 27 LYS CA C 13 58.140 0.000 . . . . . . B 1590 LYS CA . 34727 1 224 . 2 . 2 27 27 LYS CB C 13 33.679 0.022 . . . . . . B 1590 LYS CB . 34727 1 225 . 2 . 2 27 27 LYS CG C 13 25.779 0.000 . . . . . . B 1590 LYS CG . 34727 1 226 . 2 . 2 27 27 LYS CD C 13 29.169 0.000 . . . . . . B 1590 LYS CD . 34727 1 227 . 2 . 2 27 27 LYS CE C 13 42.194 0.000 . . . . . . B 1590 LYS CE . 34727 1 228 . 2 . 2 27 27 LYS N N 15 124.352 0.000 . . . . . . B 1590 LYS N . 34727 1 229 . 2 . 2 28 28 CYS H H 1 8.381 0.000 . . . . . . B 1591 CYS H . 34727 1 230 . 2 . 2 28 28 CYS HA H 1 4.831 0.000 . . . . . . B 1591 CYS HA . 34727 1 231 . 2 . 2 28 28 CYS HB2 H 1 3.216 0.000 . . . . . . B 1591 CYS HB2 . 34727 1 232 . 2 . 2 28 28 CYS HB3 H 1 2.640 0.000 . . . . . . B 1591 CYS HB3 . 34727 1 233 . 2 . 2 28 28 CYS CA C 13 58.894 0.000 . . . . . . B 1591 CYS CA . 34727 1 234 . 2 . 2 28 28 CYS CB C 13 32.034 0.006 . . . . . . B 1591 CYS CB . 34727 1 235 . 2 . 2 28 28 CYS N N 15 117.973 0.000 . . . . . . B 1591 CYS N . 34727 1 236 . 2 . 2 29 29 ASP H H 1 7.529 0.000 . . . . . . B 1592 ASP H . 34727 1 237 . 2 . 2 29 29 ASP HA H 1 4.533 0.000 . . . . . . B 1592 ASP HA . 34727 1 238 . 2 . 2 29 29 ASP HB2 H 1 2.894 0.003 . . . . . . B 1592 ASP HB2 . 34727 1 239 . 2 . 2 29 29 ASP HB3 H 1 2.894 0.003 . . . . . . B 1592 ASP HB3 . 34727 1 240 . 2 . 2 29 29 ASP CA C 13 56.749 0.000 . . . . . . B 1592 ASP CA . 34727 1 241 . 2 . 2 29 29 ASP CB C 13 40.518 0.000 . . . . . . B 1592 ASP CB . 34727 1 242 . 2 . 2 29 29 ASP N N 15 118.372 0.000 . . . . . . B 1592 ASP N . 34727 1 243 . 2 . 2 30 30 ARG H H 1 8.185 0.000 . . . . . . B 1593 ARG H . 34727 1 244 . 2 . 2 30 30 ARG HA H 1 4.440 0.000 . . . . . . B 1593 ARG HA . 34727 1 245 . 2 . 2 30 30 ARG HB2 H 1 2.098 0.000 . . . . . . B 1593 ARG HB2 . 34727 1 246 . 2 . 2 30 30 ARG HB3 H 1 1.782 0.000 . . . . . . B 1593 ARG HB3 . 34727 1 247 . 2 . 2 30 30 ARG HG2 H 1 1.823 0.000 . . . . . . B 1593 ARG HG2 . 34727 1 248 . 2 . 2 30 30 ARG HG3 H 1 1.741 0.000 . . . . . . B 1593 ARG HG3 . 34727 1 249 . 2 . 2 30 30 ARG HD2 H 1 3.334 0.000 . . . . . . B 1593 ARG HD2 . 34727 1 250 . 2 . 2 30 30 ARG HD3 H 1 3.306 0.000 . . . . . . B 1593 ARG HD3 . 34727 1 251 . 2 . 2 30 30 ARG CA C 13 56.408 0.000 . . . . . . B 1593 ARG CA . 34727 1 252 . 2 . 2 30 30 ARG CB C 13 31.236 0.016 . . . . . . B 1593 ARG CB . 34727 1 253 . 2 . 2 30 30 ARG CG C 13 27.915 0.001 . . . . . . B 1593 ARG CG . 34727 1 254 . 2 . 2 30 30 ARG CD C 13 43.679 0.013 . . . . . . B 1593 ARG CD . 34727 1 255 . 2 . 2 30 30 ARG N N 15 121.167 0.000 . . . . . . B 1593 ARG N . 34727 1 256 . 2 . 2 31 31 TRP H H 1 8.434 0.013 . . . . . . B 1594 TRP H . 34727 1 257 . 2 . 2 31 31 TRP HA H 1 4.997 0.000 . . . . . . B 1594 TRP HA . 34727 1 258 . 2 . 2 31 31 TRP HD1 H 1 7.306 0.009 . . . . . . B 1594 TRP HD1 . 34727 1 259 . 2 . 2 31 31 TRP HE1 H 1 10.011 0.004 . . . . . . B 1594 TRP HE1 . 34727 1 260 . 2 . 2 31 31 TRP HE3 H 1 7.158 0.000 . . . . . . B 1594 TRP HE3 . 34727 1 261 . 2 . 2 31 31 TRP HZ2 H 1 7.405 0.030 . . . . . . B 1594 TRP HZ2 . 34727 1 262 . 2 . 2 31 31 TRP HZ3 H 1 6.950 0.000 . . . . . . B 1594 TRP HZ3 . 34727 1 263 . 2 . 2 31 31 TRP HH2 H 1 7.237 0.004 . . . . . . B 1594 TRP HH2 . 34727 1 264 . 2 . 2 31 31 TRP CA C 13 56.653 0.000 . . . . . . B 1594 TRP CA . 34727 1 265 . 2 . 2 31 31 TRP CD1 C 13 127.215 0.005 . . . . . . B 1594 TRP CD1 . 34727 1 266 . 2 . 2 31 31 TRP CE3 C 13 124.591 0.000 . . . . . . B 1594 TRP CE3 . 34727 1 267 . 2 . 2 31 31 TRP CZ2 C 13 115.063 0.004 . . . . . . B 1594 TRP CZ2 . 34727 1 268 . 2 . 2 31 31 TRP CZ3 C 13 121.742 0.000 . . . . . . B 1594 TRP CZ3 . 34727 1 269 . 2 . 2 31 31 TRP CH2 C 13 120.140 0.002 . . . . . . B 1594 TRP CH2 . 34727 1 270 . 2 . 2 31 31 TRP N N 15 122.002 0.000 . . . . . . B 1594 TRP N . 34727 1 271 . 2 . 2 31 31 TRP NE1 N 15 114.586 6.077 . . . . . . B 1594 TRP NE1 . 34727 1 272 . 2 . 2 32 32 VAL H H 1 9.060 0.000 . . . . . . B 1595 VAL H . 34727 1 273 . 2 . 2 32 32 VAL HB H 1 2.197 0.000 . . . . . . B 1595 VAL HB . 34727 1 274 . 2 . 2 32 32 VAL HG11 H 1 0.979 0.000 . . . . . . B 1595 VAL HG11 . 34727 1 275 . 2 . 2 32 32 VAL HG12 H 1 0.979 0.000 . . . . . . B 1595 VAL HG12 . 34727 1 276 . 2 . 2 32 32 VAL HG13 H 1 0.979 0.000 . . . . . . B 1595 VAL HG13 . 34727 1 277 . 2 . 2 32 32 VAL HG21 H 1 0.930 0.000 . . . . . . B 1595 VAL HG21 . 34727 1 278 . 2 . 2 32 32 VAL HG22 H 1 0.930 0.000 . . . . . . B 1595 VAL HG22 . 34727 1 279 . 2 . 2 32 32 VAL HG23 H 1 0.930 0.000 . . . . . . B 1595 VAL HG23 . 34727 1 280 . 2 . 2 32 32 VAL CB C 13 34.963 0.000 . . . . . . B 1595 VAL CB . 34727 1 281 . 2 . 2 32 32 VAL CG1 C 13 22.059 0.000 . . . . . . B 1595 VAL CG1 . 34727 1 282 . 2 . 2 32 32 VAL CG2 C 13 19.509 0.000 . . . . . . B 1595 VAL CG2 . 34727 1 283 . 2 . 2 32 32 VAL N N 15 116.124 0.000 . . . . . . B 1595 VAL N . 34727 1 284 . 2 . 2 33 33 HIS H H 1 9.122 0.000 . . . . . . B 1596 HIS H . 34727 1 285 . 2 . 2 33 33 HIS HA H 1 4.986 0.020 . . . . . . B 1596 HIS HA . 34727 1 286 . 2 . 2 33 33 HIS HB2 H 1 2.893 0.000 . . . . . . B 1596 HIS HB2 . 34727 1 287 . 2 . 2 33 33 HIS HB3 H 1 2.893 0.000 . . . . . . B 1596 HIS HB3 . 34727 1 288 . 2 . 2 33 33 HIS HD2 H 1 7.242 0.006 . . . . . . B 1596 HIS HD2 . 34727 1 289 . 2 . 2 33 33 HIS HE1 H 1 7.683 0.005 . . . . . . B 1596 HIS HE1 . 34727 1 290 . 2 . 2 33 33 HIS CA C 13 56.893 0.000 . . . . . . B 1596 HIS CA . 34727 1 291 . 2 . 2 33 33 HIS CB C 13 29.797 0.000 . . . . . . B 1596 HIS CB . 34727 1 292 . 2 . 2 33 33 HIS CD2 C 13 118.336 0.081 . . . . . . B 1596 HIS CD2 . 34727 1 293 . 2 . 2 33 33 HIS CE1 C 13 138.881 0.007 . . . . . . B 1596 HIS CE1 . 34727 1 294 . 2 . 2 33 33 HIS N N 15 118.092 0.000 . . . . . . B 1596 HIS N . 34727 1 295 . 2 . 2 34 34 SER H H 1 8.922 0.003 . . . . . . B 1597 SER H . 34727 1 296 . 2 . 2 34 34 SER HA H 1 3.707 0.000 . . . . . . B 1597 SER HA . 34727 1 297 . 2 . 2 34 34 SER HB2 H 1 3.717 0.003 . . . . . . B 1597 SER HB2 . 34727 1 298 . 2 . 2 34 34 SER HB3 H 1 3.472 0.000 . . . . . . B 1597 SER HB3 . 34727 1 299 . 2 . 2 34 34 SER CA C 13 62.428 0.000 . . . . . . B 1597 SER CA . 34727 1 300 . 2 . 2 34 34 SER CB C 13 61.778 0.003 . . . . . . B 1597 SER CB . 34727 1 301 . 2 . 2 34 34 SER N N 15 121.815 0.000 . . . . . . B 1597 SER N . 34727 1 302 . 2 . 2 35 35 LYS HA H 1 4.187 0.000 . . . . . . B 1598 LYS HA . 34727 1 303 . 2 . 2 35 35 LYS HB2 H 1 1.512 0.003 . . . . . . B 1598 LYS HB2 . 34727 1 304 . 2 . 2 35 35 LYS HB3 H 1 1.022 0.000 . . . . . . B 1598 LYS HB3 . 34727 1 305 . 2 . 2 35 35 LYS HG2 H 1 1.522 0.000 . . . . . . B 1598 LYS HG2 . 34727 1 306 . 2 . 2 35 35 LYS HG3 H 1 1.208 0.000 . . . . . . B 1598 LYS HG3 . 34727 1 307 . 2 . 2 35 35 LYS HD2 H 1 1.321 0.000 . . . . . . B 1598 LYS HD2 . 34727 1 308 . 2 . 2 35 35 LYS HD3 H 1 1.321 0.000 . . . . . . B 1598 LYS HD3 . 34727 1 309 . 2 . 2 35 35 LYS HE2 H 1 2.834 0.000 . . . . . . B 1598 LYS HE2 . 34727 1 310 . 2 . 2 35 35 LYS HE3 H 1 2.834 0.000 . . . . . . B 1598 LYS HE3 . 34727 1 311 . 2 . 2 35 35 LYS CA C 13 56.748 0.000 . . . . . . B 1598 LYS CA . 34727 1 312 . 2 . 2 35 35 LYS CB C 13 31.845 0.000 . . . . . . B 1598 LYS CB . 34727 1 313 . 2 . 2 35 35 LYS CG C 13 27.343 0.023 . . . . . . B 1598 LYS CG . 34727 1 314 . 2 . 2 35 35 LYS CD C 13 29.108 0.000 . . . . . . B 1598 LYS CD . 34727 1 315 . 2 . 2 35 35 LYS CE C 13 42.148 0.000 . . . . . . B 1598 LYS CE . 34727 1 316 . 2 . 2 36 36 CYS H H 1 6.825 0.006 . . . . . . B 1599 CYS H . 34727 1 317 . 2 . 2 36 36 CYS HA H 1 4.214 0.004 . . . . . . B 1599 CYS HA . 34727 1 318 . 2 . 2 36 36 CYS HB2 H 1 3.277 0.000 . . . . . . B 1599 CYS HB2 . 34727 1 319 . 2 . 2 36 36 CYS HB3 H 1 3.193 0.000 . . . . . . B 1599 CYS HB3 . 34727 1 320 . 2 . 2 36 36 CYS CA C 13 62.393 0.000 . . . . . . B 1599 CYS CA . 34727 1 321 . 2 . 2 36 36 CYS CB C 13 29.885 0.006 . . . . . . B 1599 CYS CB . 34727 1 322 . 2 . 2 36 36 CYS N N 15 119.411 0.026 . . . . . . B 1599 CYS N . 34727 1 323 . 2 . 2 37 37 GLU H H 1 7.401 0.001 . . . . . . B 1600 GLU H . 34727 1 324 . 2 . 2 37 37 GLU HA H 1 4.365 0.000 . . . . . . B 1600 GLU HA . 34727 1 325 . 2 . 2 37 37 GLU HB2 H 1 2.288 0.000 . . . . . . B 1600 GLU HB2 . 34727 1 326 . 2 . 2 37 37 GLU HB3 H 1 1.982 0.000 . . . . . . B 1600 GLU HB3 . 34727 1 327 . 2 . 2 37 37 GLU HG2 H 1 2.347 0.000 . . . . . . B 1600 GLU HG2 . 34727 1 328 . 2 . 2 37 37 GLU HG3 H 1 2.288 0.000 . . . . . . B 1600 GLU HG3 . 34727 1 329 . 2 . 2 37 37 GLU CA C 13 56.087 0.000 . . . . . . B 1600 GLU CA . 34727 1 330 . 2 . 2 37 37 GLU CB C 13 31.034 0.000 . . . . . . B 1600 GLU CB . 34727 1 331 . 2 . 2 37 37 GLU CG C 13 37.327 0.005 . . . . . . B 1600 GLU CG . 34727 1 332 . 2 . 2 37 37 GLU N N 15 118.316 0.000 . . . . . . B 1600 GLU N . 34727 1 333 . 2 . 2 38 38 ASN H H 1 7.779 0.000 . . . . . . B 1601 ASN H . 34727 1 334 . 2 . 2 38 38 ASN HA H 1 4.300 0.000 . . . . . . B 1601 ASN HA . 34727 1 335 . 2 . 2 38 38 ASN HB2 H 1 3.186 0.000 . . . . . . B 1601 ASN HB2 . 34727 1 336 . 2 . 2 38 38 ASN HB3 H 1 2.811 0.000 . . . . . . B 1601 ASN HB3 . 34727 1 337 . 2 . 2 38 38 ASN HD21 H 1 7.742 0.000 . . . . . . B 1601 ASN HD21 . 34727 1 338 . 2 . 2 38 38 ASN HD22 H 1 6.975 0.000 . . . . . . B 1601 ASN HD22 . 34727 1 339 . 2 . 2 38 38 ASN CA C 13 54.454 0.000 . . . . . . B 1601 ASN CA . 34727 1 340 . 2 . 2 38 38 ASN CB C 13 37.463 0.016 . . . . . . B 1601 ASN CB . 34727 1 341 . 2 . 2 38 38 ASN N N 15 113.253 0.000 . . . . . . B 1601 ASN N . 34727 1 342 . 2 . 2 38 38 ASN ND2 N 15 112.666 0.017 . . . . . . B 1601 ASN ND2 . 34727 1 343 . 2 . 2 39 39 LEU H H 1 7.836 0.000 . . . . . . B 1602 LEU H . 34727 1 344 . 2 . 2 39 39 LEU HA H 1 4.542 0.000 . . . . . . B 1602 LEU HA . 34727 1 345 . 2 . 2 39 39 LEU HB2 H 1 1.639 0.000 . . . . . . B 1602 LEU HB2 . 34727 1 346 . 2 . 2 39 39 LEU HB3 H 1 1.262 0.000 . . . . . . B 1602 LEU HB3 . 34727 1 347 . 2 . 2 39 39 LEU HG H 1 2.118 0.000 . . . . . . B 1602 LEU HG . 34727 1 348 . 2 . 2 39 39 LEU HD11 H 1 0.673 0.000 . . . . . . B 1602 LEU HD11 . 34727 1 349 . 2 . 2 39 39 LEU HD12 H 1 0.673 0.000 . . . . . . B 1602 LEU HD12 . 34727 1 350 . 2 . 2 39 39 LEU HD13 H 1 0.673 0.000 . . . . . . B 1602 LEU HD13 . 34727 1 351 . 2 . 2 39 39 LEU HD21 H 1 0.889 0.000 . . . . . . B 1602 LEU HD21 . 34727 1 352 . 2 . 2 39 39 LEU HD22 H 1 0.889 0.000 . . . . . . B 1602 LEU HD22 . 34727 1 353 . 2 . 2 39 39 LEU HD23 H 1 0.889 0.000 . . . . . . B 1602 LEU HD23 . 34727 1 354 . 2 . 2 39 39 LEU CA C 13 54.304 0.000 . . . . . . B 1602 LEU CA . 34727 1 355 . 2 . 2 39 39 LEU CB C 13 44.305 0.021 . . . . . . B 1602 LEU CB . 34727 1 356 . 2 . 2 39 39 LEU CG C 13 29.777 0.000 . . . . . . B 1602 LEU CG . 34727 1 357 . 2 . 2 39 39 LEU CD1 C 13 26.358 0.000 . . . . . . B 1602 LEU CD1 . 34727 1 358 . 2 . 2 39 39 LEU CD2 C 13 24.351 0.000 . . . . . . B 1602 LEU CD2 . 34727 1 359 . 2 . 2 39 39 LEU N N 15 117.748 0.000 . . . . . . B 1602 LEU N . 34727 1 360 . 2 . 2 40 40 SER H H 1 9.229 0.000 . . . . . . B 1603 SER H . 34727 1 361 . 2 . 2 40 40 SER HA H 1 4.349 0.000 . . . . . . B 1603 SER HA . 34727 1 362 . 2 . 2 40 40 SER HB2 H 1 4.302 0.000 . . . . . . B 1603 SER HB2 . 34727 1 363 . 2 . 2 40 40 SER HB3 H 1 4.215 0.000 . . . . . . B 1603 SER HB3 . 34727 1 364 . 2 . 2 40 40 SER CA C 13 57.720 0.000 . . . . . . B 1603 SER CA . 34727 1 365 . 2 . 2 40 40 SER CB C 13 64.040 0.002 . . . . . . B 1603 SER CB . 34727 1 366 . 2 . 2 40 40 SER N N 15 121.977 0.000 . . . . . . B 1603 SER N . 34727 1 367 . 2 . 2 41 41 ASP H H 1 8.785 0.000 . . . . . . B 1604 ASP H . 34727 1 368 . 2 . 2 41 41 ASP HA H 1 4.408 0.000 . . . . . . B 1604 ASP HA . 34727 1 369 . 2 . 2 41 41 ASP HB2 H 1 2.770 0.000 . . . . . . B 1604 ASP HB2 . 34727 1 370 . 2 . 2 41 41 ASP HB3 H 1 2.655 0.000 . . . . . . B 1604 ASP HB3 . 34727 1 371 . 2 . 2 41 41 ASP CA C 13 57.939 0.000 . . . . . . B 1604 ASP CA . 34727 1 372 . 2 . 2 41 41 ASP CB C 13 40.031 0.005 . . . . . . B 1604 ASP CB . 34727 1 373 . 2 . 2 41 41 ASP N N 15 121.476 0.000 . . . . . . B 1604 ASP N . 34727 1 374 . 2 . 2 42 42 GLU H H 1 8.423 0.000 . . . . . . B 1605 GLU H . 34727 1 375 . 2 . 2 42 42 GLU HA H 1 4.015 0.000 . . . . . . B 1605 GLU HA . 34727 1 376 . 2 . 2 42 42 GLU HB2 H 1 2.029 0.000 . . . . . . B 1605 GLU HB2 . 34727 1 377 . 2 . 2 42 42 GLU HB3 H 1 1.951 0.000 . . . . . . B 1605 GLU HB3 . 34727 1 378 . 2 . 2 42 42 GLU HG2 H 1 2.316 0.000 . . . . . . B 1605 GLU HG2 . 34727 1 379 . 2 . 2 42 42 GLU HG3 H 1 2.316 0.000 . . . . . . B 1605 GLU HG3 . 34727 1 380 . 2 . 2 42 42 GLU CA C 13 59.856 0.000 . . . . . . B 1605 GLU CA . 34727 1 381 . 2 . 2 42 42 GLU CB C 13 30.274 0.017 . . . . . . B 1605 GLU CB . 34727 1 382 . 2 . 2 42 42 GLU CG C 13 36.323 0.000 . . . . . . B 1605 GLU CG . 34727 1 383 . 2 . 2 42 42 GLU N N 15 120.228 0.000 . . . . . . B 1605 GLU N . 34727 1 384 . 2 . 2 43 43 MET H H 1 8.348 0.000 . . . . . . B 1606 MET H . 34727 1 385 . 2 . 2 43 43 MET HA H 1 4.200 0.000 . . . . . . B 1606 MET HA . 34727 1 386 . 2 . 2 43 43 MET HG2 H 1 2.761 0.000 . . . . . . B 1606 MET HG2 . 34727 1 387 . 2 . 2 43 43 MET HG3 H 1 2.286 0.000 . . . . . . B 1606 MET HG3 . 34727 1 388 . 2 . 2 43 43 MET HE1 H 1 1.953 0.000 . . . . . . B 1606 MET HE1 . 34727 1 389 . 2 . 2 43 43 MET HE2 H 1 1.953 0.000 . . . . . . B 1606 MET HE2 . 34727 1 390 . 2 . 2 43 43 MET HE3 H 1 1.953 0.000 . . . . . . B 1606 MET HE3 . 34727 1 391 . 2 . 2 43 43 MET CA C 13 57.353 0.000 . . . . . . B 1606 MET CA . 34727 1 392 . 2 . 2 43 43 MET CG C 13 32.927 0.007 . . . . . . B 1606 MET CG . 34727 1 393 . 2 . 2 43 43 MET CE C 13 18.140 0.000 . . . . . . B 1606 MET CE . 34727 1 394 . 2 . 2 43 43 MET N N 15 119.703 0.000 . . . . . . B 1606 MET N . 34727 1 395 . 2 . 2 44 44 TYR H H 1 8.983 0.000 . . . . . . B 1607 TYR H . 34727 1 396 . 2 . 2 44 44 TYR HA H 1 3.705 0.000 . . . . . . B 1607 TYR HA . 34727 1 397 . 2 . 2 44 44 TYR HB2 H 1 3.148 0.000 . . . . . . B 1607 TYR HB2 . 34727 1 398 . 2 . 2 44 44 TYR HB3 H 1 2.947 0.000 . . . . . . B 1607 TYR HB3 . 34727 1 399 . 2 . 2 44 44 TYR HD1 H 1 6.896 0.005 . . . . . . B 1607 TYR HD1 . 34727 1 400 . 2 . 2 44 44 TYR HD2 H 1 6.896 0.005 . . . . . . B 1607 TYR HD2 . 34727 1 401 . 2 . 2 44 44 TYR HE1 H 1 6.657 0.003 . . . . . . B 1607 TYR HE1 . 34727 1 402 . 2 . 2 44 44 TYR HE2 H 1 6.657 0.003 . . . . . . B 1607 TYR HE2 . 34727 1 403 . 2 . 2 44 44 TYR CA C 13 62.390 0.000 . . . . . . B 1607 TYR CA . 34727 1 404 . 2 . 2 44 44 TYR CB C 13 38.116 0.002 . . . . . . B 1607 TYR CB . 34727 1 405 . 2 . 2 44 44 TYR CD1 C 13 133.016 0.010 . . . . . . B 1607 TYR CD1 . 34727 1 406 . 2 . 2 44 44 TYR CE1 C 13 118.080 0.008 . . . . . . B 1607 TYR CE1 . 34727 1 407 . 2 . 2 44 44 TYR N N 15 119.827 0.000 . . . . . . B 1607 TYR N . 34727 1 408 . 2 . 2 45 45 GLU H H 1 7.982 0.000 . . . . . . B 1608 GLU H . 34727 1 409 . 2 . 2 45 45 GLU HA H 1 3.598 0.000 . . . . . . B 1608 GLU HA . 34727 1 410 . 2 . 2 45 45 GLU HB2 H 1 2.160 0.000 . . . . . . B 1608 GLU HB2 . 34727 1 411 . 2 . 2 45 45 GLU HB3 H 1 2.110 0.000 . . . . . . B 1608 GLU HB3 . 34727 1 412 . 2 . 2 45 45 GLU HG2 H 1 2.351 0.000 . . . . . . B 1608 GLU HG2 . 34727 1 413 . 2 . 2 45 45 GLU HG3 H 1 2.314 0.000 . . . . . . B 1608 GLU HG3 . 34727 1 414 . 2 . 2 45 45 GLU CA C 13 59.598 0.000 . . . . . . B 1608 GLU CA . 34727 1 415 . 2 . 2 45 45 GLU CB C 13 29.386 0.001 . . . . . . B 1608 GLU CB . 34727 1 416 . 2 . 2 45 45 GLU CG C 13 36.152 0.003 . . . . . . B 1608 GLU CG . 34727 1 417 . 2 . 2 45 45 GLU N N 15 120.694 0.000 . . . . . . B 1608 GLU N . 34727 1 418 . 2 . 2 46 46 ILE H H 1 7.364 0.000 . . . . . . B 1609 ILE H . 34727 1 419 . 2 . 2 46 46 ILE HA H 1 3.473 0.000 . . . . . . B 1609 ILE HA . 34727 1 420 . 2 . 2 46 46 ILE HB H 1 1.669 0.000 . . . . . . B 1609 ILE HB . 34727 1 421 . 2 . 2 46 46 ILE HG12 H 1 1.285 0.000 . . . . . . B 1609 ILE HG12 . 34727 1 422 . 2 . 2 46 46 ILE HG13 H 1 1.078 0.000 . . . . . . B 1609 ILE HG13 . 34727 1 423 . 2 . 2 46 46 ILE HG21 H 1 -0.177 0.006 . . . . . . B 1609 ILE HG21 . 34727 1 424 . 2 . 2 46 46 ILE HG22 H 1 -0.177 0.006 . . . . . . B 1609 ILE HG22 . 34727 1 425 . 2 . 2 46 46 ILE HG23 H 1 -0.177 0.006 . . . . . . B 1609 ILE HG23 . 34727 1 426 . 2 . 2 46 46 ILE HD11 H 1 0.507 0.000 . . . . . . B 1609 ILE HD11 . 34727 1 427 . 2 . 2 46 46 ILE HD12 H 1 0.507 0.000 . . . . . . B 1609 ILE HD12 . 34727 1 428 . 2 . 2 46 46 ILE HD13 H 1 0.507 0.000 . . . . . . B 1609 ILE HD13 . 34727 1 429 . 2 . 2 46 46 ILE CA C 13 63.498 0.000 . . . . . . B 1609 ILE CA . 34727 1 430 . 2 . 2 46 46 ILE CB C 13 37.102 0.000 . . . . . . B 1609 ILE CB . 34727 1 431 . 2 . 2 46 46 ILE CG1 C 13 28.125 0.012 . . . . . . B 1609 ILE CG1 . 34727 1 432 . 2 . 2 46 46 ILE CG2 C 13 16.586 0.000 . . . . . . B 1609 ILE CG2 . 34727 1 433 . 2 . 2 46 46 ILE CD1 C 13 12.630 0.000 . . . . . . B 1609 ILE CD1 . 34727 1 434 . 2 . 2 46 46 ILE N N 15 118.181 0.000 . . . . . . B 1609 ILE N . 34727 1 435 . 2 . 2 47 47 LEU H H 1 8.517 0.000 . . . . . . B 1610 LEU H . 34727 1 436 . 2 . 2 47 47 LEU HA H 1 3.847 0.000 . . . . . . B 1610 LEU HA . 34727 1 437 . 2 . 2 47 47 LEU HB2 H 1 1.495 0.000 . . . . . . B 1610 LEU HB2 . 34727 1 438 . 2 . 2 47 47 LEU HB3 H 1 1.266 0.000 . . . . . . B 1610 LEU HB3 . 34727 1 439 . 2 . 2 47 47 LEU HG H 1 1.662 0.000 . . . . . . B 1610 LEU HG . 34727 1 440 . 2 . 2 47 47 LEU HD11 H 1 0.774 0.000 . . . . . . B 1610 LEU HD11 . 34727 1 441 . 2 . 2 47 47 LEU HD12 H 1 0.774 0.000 . . . . . . B 1610 LEU HD12 . 34727 1 442 . 2 . 2 47 47 LEU HD13 H 1 0.774 0.000 . . . . . . B 1610 LEU HD13 . 34727 1 443 . 2 . 2 47 47 LEU HD21 H 1 0.830 0.000 . . . . . . B 1610 LEU HD21 . 34727 1 444 . 2 . 2 47 47 LEU HD22 H 1 0.830 0.000 . . . . . . B 1610 LEU HD22 . 34727 1 445 . 2 . 2 47 47 LEU HD23 H 1 0.830 0.000 . . . . . . B 1610 LEU HD23 . 34727 1 446 . 2 . 2 47 47 LEU CA C 13 57.046 0.000 . . . . . . B 1610 LEU CA . 34727 1 447 . 2 . 2 47 47 LEU CB C 13 41.804 0.005 . . . . . . B 1610 LEU CB . 34727 1 448 . 2 . 2 47 47 LEU CG C 13 26.266 0.000 . . . . . . B 1610 LEU CG . 34727 1 449 . 2 . 2 47 47 LEU CD1 C 13 27.406 0.000 . . . . . . B 1610 LEU CD1 . 34727 1 450 . 2 . 2 47 47 LEU CD2 C 13 22.255 0.000 . . . . . . B 1610 LEU CD2 . 34727 1 451 . 2 . 2 47 47 LEU N N 15 117.877 0.000 . . . . . . B 1610 LEU N . 34727 1 452 . 2 . 2 48 48 SER H H 1 8.028 0.000 . . . . . . B 1611 SER H . 34727 1 453 . 2 . 2 48 48 SER HA H 1 4.093 0.000 . . . . . . B 1611 SER HA . 34727 1 454 . 2 . 2 48 48 SER HB2 H 1 3.788 0.000 . . . . . . B 1611 SER HB2 . 34727 1 455 . 2 . 2 48 48 SER HB3 H 1 3.314 0.000 . . . . . . B 1611 SER HB3 . 34727 1 456 . 2 . 2 48 48 SER CA C 13 60.146 0.000 . . . . . . B 1611 SER CA . 34727 1 457 . 2 . 2 48 48 SER CB C 13 63.060 0.015 . . . . . . B 1611 SER CB . 34727 1 458 . 2 . 2 48 48 SER N N 15 112.445 0.000 . . . . . . B 1611 SER N . 34727 1 459 . 2 . 2 49 49 ASN H H 1 7.191 0.000 . . . . . . B 1612 ASN H . 34727 1 460 . 2 . 2 49 49 ASN HA H 1 5.011 0.000 . . . . . . B 1612 ASN HA . 34727 1 461 . 2 . 2 49 49 ASN HB2 H 1 3.012 0.000 . . . . . . B 1612 ASN HB2 . 34727 1 462 . 2 . 2 49 49 ASN HB3 H 1 2.518 0.000 . . . . . . B 1612 ASN HB3 . 34727 1 463 . 2 . 2 49 49 ASN HD21 H 1 8.144 0.000 . . . . . . B 1612 ASN HD21 . 34727 1 464 . 2 . 2 49 49 ASN HD22 H 1 6.863 0.000 . . . . . . B 1612 ASN HD22 . 34727 1 465 . 2 . 2 49 49 ASN CA C 13 53.534 0.000 . . . . . . B 1612 ASN CA . 34727 1 466 . 2 . 2 49 49 ASN CB C 13 41.117 0.001 . . . . . . B 1612 ASN CB . 34727 1 467 . 2 . 2 49 49 ASN N N 15 120.108 0.000 . . . . . . B 1612 ASN N . 34727 1 468 . 2 . 2 49 49 ASN ND2 N 15 116.478 0.028 . . . . . . B 1612 ASN ND2 . 34727 1 469 . 2 . 2 50 50 LEU H H 1 7.381 0.000 . . . . . . B 1613 LEU H . 34727 1 470 . 2 . 2 50 50 LEU HA H 1 4.598 0.000 . . . . . . B 1613 LEU HA . 34727 1 471 . 2 . 2 50 50 LEU HB2 H 1 1.911 0.000 . . . . . . B 1613 LEU HB2 . 34727 1 472 . 2 . 2 50 50 LEU HB3 H 1 1.589 0.000 . . . . . . B 1613 LEU HB3 . 34727 1 473 . 2 . 2 50 50 LEU HG H 1 2.293 0.000 . . . . . . B 1613 LEU HG . 34727 1 474 . 2 . 2 50 50 LEU HD11 H 1 1.142 0.000 . . . . . . B 1613 LEU HD11 . 34727 1 475 . 2 . 2 50 50 LEU HD12 H 1 1.142 0.000 . . . . . . B 1613 LEU HD12 . 34727 1 476 . 2 . 2 50 50 LEU HD13 H 1 1.142 0.000 . . . . . . B 1613 LEU HD13 . 34727 1 477 . 2 . 2 50 50 LEU HD21 H 1 1.196 0.000 . . . . . . B 1613 LEU HD21 . 34727 1 478 . 2 . 2 50 50 LEU HD22 H 1 1.196 0.000 . . . . . . B 1613 LEU HD22 . 34727 1 479 . 2 . 2 50 50 LEU HD23 H 1 1.196 0.000 . . . . . . B 1613 LEU HD23 . 34727 1 480 . 2 . 2 50 50 LEU CA C 13 53.884 0.000 . . . . . . B 1613 LEU CA . 34727 1 481 . 2 . 2 50 50 LEU CB C 13 41.321 0.005 . . . . . . B 1613 LEU CB . 34727 1 482 . 2 . 2 50 50 LEU CG C 13 26.511 0.000 . . . . . . B 1613 LEU CG . 34727 1 483 . 2 . 2 50 50 LEU CD1 C 13 26.526 0.000 . . . . . . B 1613 LEU CD1 . 34727 1 484 . 2 . 2 50 50 LEU CD2 C 13 23.528 0.000 . . . . . . B 1613 LEU CD2 . 34727 1 485 . 2 . 2 50 50 LEU N N 15 120.247 0.000 . . . . . . B 1613 LEU N . 34727 1 486 . 2 . 2 51 51 PRO HA H 1 4.535 0.000 . . . . . . B 1614 PRO HA . 34727 1 487 . 2 . 2 51 51 PRO HB2 H 1 2.453 0.000 . . . . . . B 1614 PRO HB2 . 34727 1 488 . 2 . 2 51 51 PRO HB3 H 1 2.068 0.000 . . . . . . B 1614 PRO HB3 . 34727 1 489 . 2 . 2 51 51 PRO HG2 H 1 2.049 0.000 . . . . . . B 1614 PRO HG2 . 34727 1 490 . 2 . 2 51 51 PRO HG3 H 1 1.990 0.000 . . . . . . B 1614 PRO HG3 . 34727 1 491 . 2 . 2 51 51 PRO HD2 H 1 3.875 0.000 . . . . . . B 1614 PRO HD2 . 34727 1 492 . 2 . 2 51 51 PRO HD3 H 1 3.529 0.000 . . . . . . B 1614 PRO HD3 . 34727 1 493 . 2 . 2 51 51 PRO CA C 13 63.046 0.000 . . . . . . B 1614 PRO CA . 34727 1 494 . 2 . 2 51 51 PRO CB C 13 32.489 0.005 . . . . . . B 1614 PRO CB . 34727 1 495 . 2 . 2 51 51 PRO CG C 13 27.805 0.022 . . . . . . B 1614 PRO CG . 34727 1 496 . 2 . 2 51 51 PRO CD C 13 50.521 0.005 . . . . . . B 1614 PRO CD . 34727 1 497 . 2 . 2 52 52 GLU H H 1 8.796 0.000 . . . . . . B 1615 GLU H . 34727 1 498 . 2 . 2 52 52 GLU HA H 1 4.251 0.000 . . . . . . B 1615 GLU HA . 34727 1 499 . 2 . 2 52 52 GLU HB2 H 1 2.182 0.000 . . . . . . B 1615 GLU HB2 . 34727 1 500 . 2 . 2 52 52 GLU HB3 H 1 2.136 0.000 . . . . . . B 1615 GLU HB3 . 34727 1 501 . 2 . 2 52 52 GLU HG2 H 1 2.432 0.000 . . . . . . B 1615 GLU HG2 . 34727 1 502 . 2 . 2 52 52 GLU HG3 H 1 2.432 0.000 . . . . . . B 1615 GLU HG3 . 34727 1 503 . 2 . 2 52 52 GLU CA C 13 58.672 0.000 . . . . . . B 1615 GLU CA . 34727 1 504 . 2 . 2 52 52 GLU CB C 13 29.710 0.015 . . . . . . B 1615 GLU CB . 34727 1 505 . 2 . 2 52 52 GLU CG C 13 36.551 0.000 . . . . . . B 1615 GLU CG . 34727 1 506 . 2 . 2 52 52 GLU N N 15 118.606 0.000 . . . . . . B 1615 GLU N . 34727 1 507 . 2 . 2 53 53 SER H H 1 7.858 0.000 . . . . . . B 1616 SER H . 34727 1 508 . 2 . 2 53 53 SER HA H 1 4.323 0.000 . . . . . . B 1616 SER HA . 34727 1 509 . 2 . 2 53 53 SER HB2 H 1 4.129 0.000 . . . . . . B 1616 SER HB2 . 34727 1 510 . 2 . 2 53 53 SER HB3 H 1 4.040 0.000 . . . . . . B 1616 SER HB3 . 34727 1 511 . 2 . 2 53 53 SER CA C 13 59.149 0.000 . . . . . . B 1616 SER CA . 34727 1 512 . 2 . 2 53 53 SER CB C 13 63.437 0.007 . . . . . . B 1616 SER CB . 34727 1 513 . 2 . 2 53 53 SER N N 15 111.543 0.000 . . . . . . B 1616 SER N . 34727 1 514 . 2 . 2 54 54 VAL H H 1 7.761 0.000 . . . . . . B 1617 VAL H . 34727 1 515 . 2 . 2 54 54 VAL HA H 1 4.861 0.000 . . . . . . B 1617 VAL HA . 34727 1 516 . 2 . 2 54 54 VAL HB H 1 2.016 0.000 . . . . . . B 1617 VAL HB . 34727 1 517 . 2 . 2 54 54 VAL HG11 H 1 0.928 0.000 . . . . . . B 1617 VAL HG11 . 34727 1 518 . 2 . 2 54 54 VAL HG12 H 1 0.928 0.000 . . . . . . B 1617 VAL HG12 . 34727 1 519 . 2 . 2 54 54 VAL HG13 H 1 0.928 0.000 . . . . . . B 1617 VAL HG13 . 34727 1 520 . 2 . 2 54 54 VAL HG21 H 1 1.038 0.000 . . . . . . B 1617 VAL HG21 . 34727 1 521 . 2 . 2 54 54 VAL HG22 H 1 1.038 0.000 . . . . . . B 1617 VAL HG22 . 34727 1 522 . 2 . 2 54 54 VAL HG23 H 1 1.038 0.000 . . . . . . B 1617 VAL HG23 . 34727 1 523 . 2 . 2 54 54 VAL CA C 13 60.149 0.000 . . . . . . B 1617 VAL CA . 34727 1 524 . 2 . 2 54 54 VAL CB C 13 34.418 0.000 . . . . . . B 1617 VAL CB . 34727 1 525 . 2 . 2 54 54 VAL CG1 C 13 22.564 0.000 . . . . . . B 1617 VAL CG1 . 34727 1 526 . 2 . 2 54 54 VAL CG2 C 13 20.805 0.000 . . . . . . B 1617 VAL CG2 . 34727 1 527 . 2 . 2 54 54 VAL N N 15 115.400 0.000 . . . . . . B 1617 VAL N . 34727 1 528 . 2 . 2 55 55 ALA H H 1 8.471 0.000 . . . . . . B 1618 ALA H . 34727 1 529 . 2 . 2 55 55 ALA HA H 1 4.791 0.000 . . . . . . B 1618 ALA HA . 34727 1 530 . 2 . 2 55 55 ALA HB1 H 1 1.422 0.000 . . . . . . B 1618 ALA HB1 . 34727 1 531 . 2 . 2 55 55 ALA HB2 H 1 1.422 0.000 . . . . . . B 1618 ALA HB2 . 34727 1 532 . 2 . 2 55 55 ALA HB3 H 1 1.422 0.000 . . . . . . B 1618 ALA HB3 . 34727 1 533 . 2 . 2 55 55 ALA CA C 13 51.280 0.000 . . . . . . B 1618 ALA CA . 34727 1 534 . 2 . 2 55 55 ALA CB C 13 23.133 0.000 . . . . . . B 1618 ALA CB . 34727 1 535 . 2 . 2 55 55 ALA N N 15 122.589 0.000 . . . . . . B 1618 ALA N . 34727 1 536 . 2 . 2 56 56 TYR H H 1 8.802 0.003 . . . . . . B 1619 TYR H . 34727 1 537 . 2 . 2 56 56 TYR HA H 1 4.621 0.000 . . . . . . B 1619 TYR HA . 34727 1 538 . 2 . 2 56 56 TYR HB2 H 1 3.028 0.000 . . . . . . B 1619 TYR HB2 . 34727 1 539 . 2 . 2 56 56 TYR HB3 H 1 2.846 0.000 . . . . . . B 1619 TYR HB3 . 34727 1 540 . 2 . 2 56 56 TYR HD1 H 1 7.043 0.003 . . . . . . B 1619 TYR HD1 . 34727 1 541 . 2 . 2 56 56 TYR HD2 H 1 7.043 0.003 . . . . . . B 1619 TYR HD2 . 34727 1 542 . 2 . 2 56 56 TYR HE1 H 1 6.787 0.003 . . . . . . B 1619 TYR HE1 . 34727 1 543 . 2 . 2 56 56 TYR HE2 H 1 6.787 0.003 . . . . . . B 1619 TYR HE2 . 34727 1 544 . 2 . 2 56 56 TYR CA C 13 57.762 0.000 . . . . . . B 1619 TYR CA . 34727 1 545 . 2 . 2 56 56 TYR CB C 13 40.377 0.007 . . . . . . B 1619 TYR CB . 34727 1 546 . 2 . 2 56 56 TYR CD1 C 13 133.251 0.001 . . . . . . B 1619 TYR CD1 . 34727 1 547 . 2 . 2 56 56 TYR CE1 C 13 118.392 0.002 . . . . . . B 1619 TYR CE1 . 34727 1 548 . 2 . 2 56 56 TYR N N 15 122.999 0.000 . . . . . . B 1619 TYR N . 34727 1 549 . 2 . 2 57 57 THR H H 1 6.777 0.000 . . . . . . B 1620 THR H . 34727 1 550 . 2 . 2 57 57 THR HA H 1 5.073 0.000 . . . . . . B 1620 THR HA . 34727 1 551 . 2 . 2 57 57 THR HB H 1 3.689 0.000 . . . . . . B 1620 THR HB . 34727 1 552 . 2 . 2 57 57 THR HG21 H 1 1.121 0.000 . . . . . . B 1620 THR HG21 . 34727 1 553 . 2 . 2 57 57 THR HG22 H 1 1.121 0.000 . . . . . . B 1620 THR HG22 . 34727 1 554 . 2 . 2 57 57 THR HG23 H 1 1.121 0.000 . . . . . . B 1620 THR HG23 . 34727 1 555 . 2 . 2 57 57 THR CA C 13 60.988 0.000 . . . . . . B 1620 THR CA . 34727 1 556 . 2 . 2 57 57 THR CB C 13 69.937 0.000 . . . . . . B 1620 THR CB . 34727 1 557 . 2 . 2 57 57 THR CG2 C 13 22.535 0.000 . . . . . . B 1620 THR CG2 . 34727 1 558 . 2 . 2 57 57 THR N N 15 123.057 0.000 . . . . . . B 1620 THR N . 34727 1 559 . 2 . 2 58 58 CYS H H 1 9.765 0.000 . . . . . . B 1621 CYS H . 34727 1 560 . 2 . 2 58 58 CYS HA H 1 4.591 0.000 . . . . . . B 1621 CYS HA . 34727 1 561 . 2 . 2 58 58 CYS HB2 H 1 3.913 0.000 . . . . . . B 1621 CYS HB2 . 34727 1 562 . 2 . 2 58 58 CYS HB3 H 1 2.677 0.000 . . . . . . B 1621 CYS HB3 . 34727 1 563 . 2 . 2 58 58 CYS CA C 13 58.317 0.000 . . . . . . B 1621 CYS CA . 34727 1 564 . 2 . 2 58 58 CYS CB C 13 32.117 0.010 . . . . . . B 1621 CYS CB . 34727 1 565 . 2 . 2 58 58 CYS N N 15 129.865 0.000 . . . . . . B 1621 CYS N . 34727 1 566 . 2 . 2 59 59 VAL H H 1 9.885 0.000 . . . . . . B 1622 VAL H . 34727 1 567 . 2 . 2 59 59 VAL HA H 1 3.809 0.000 . . . . . . B 1622 VAL HA . 34727 1 568 . 2 . 2 59 59 VAL HB H 1 2.236 0.000 . . . . . . B 1622 VAL HB . 34727 1 569 . 2 . 2 59 59 VAL HG11 H 1 1.150 0.000 . . . . . . B 1622 VAL HG11 . 34727 1 570 . 2 . 2 59 59 VAL HG12 H 1 1.150 0.000 . . . . . . B 1622 VAL HG12 . 34727 1 571 . 2 . 2 59 59 VAL HG13 H 1 1.150 0.000 . . . . . . B 1622 VAL HG13 . 34727 1 572 . 2 . 2 59 59 VAL HG21 H 1 1.046 0.000 . . . . . . B 1622 VAL HG21 . 34727 1 573 . 2 . 2 59 59 VAL HG22 H 1 1.046 0.000 . . . . . . B 1622 VAL HG22 . 34727 1 574 . 2 . 2 59 59 VAL HG23 H 1 1.046 0.000 . . . . . . B 1622 VAL HG23 . 34727 1 575 . 2 . 2 59 59 VAL CA C 13 66.090 0.000 . . . . . . B 1622 VAL CA . 34727 1 576 . 2 . 2 59 59 VAL CB C 13 32.081 0.000 . . . . . . B 1622 VAL CB . 34727 1 577 . 2 . 2 59 59 VAL CG1 C 13 21.938 0.000 . . . . . . B 1622 VAL CG1 . 34727 1 578 . 2 . 2 59 59 VAL CG2 C 13 21.457 0.000 . . . . . . B 1622 VAL CG2 . 34727 1 579 . 2 . 2 59 59 VAL N N 15 120.972 0.000 . . . . . . B 1622 VAL N . 34727 1 580 . 2 . 2 60 60 ASN H H 1 8.782 0.000 . . . . . . B 1623 ASN H . 34727 1 581 . 2 . 2 60 60 ASN HA H 1 4.573 0.000 . . . . . . B 1623 ASN HA . 34727 1 582 . 2 . 2 60 60 ASN HB2 H 1 2.959 0.000 . . . . . . B 1623 ASN HB2 . 34727 1 583 . 2 . 2 60 60 ASN HB3 H 1 2.908 0.000 . . . . . . B 1623 ASN HB3 . 34727 1 584 . 2 . 2 60 60 ASN HD21 H 1 7.872 0.000 . . . . . . B 1623 ASN HD21 . 34727 1 585 . 2 . 2 60 60 ASN HD22 H 1 6.849 0.000 . . . . . . B 1623 ASN HD22 . 34727 1 586 . 2 . 2 60 60 ASN CA C 13 56.345 0.000 . . . . . . B 1623 ASN CA . 34727 1 587 . 2 . 2 60 60 ASN CB C 13 39.382 0.007 . . . . . . B 1623 ASN CB . 34727 1 588 . 2 . 2 60 60 ASN N N 15 120.677 0.000 . . . . . . B 1623 ASN N . 34727 1 589 . 2 . 2 60 60 ASN ND2 N 15 112.688 0.041 . . . . . . B 1623 ASN ND2 . 34727 1 590 . 2 . 2 61 61 CYS H H 1 8.465 0.000 . . . . . . B 1624 CYS H . 34727 1 591 . 2 . 2 61 61 CYS HA H 1 4.072 0.000 . . . . . . B 1624 CYS HA . 34727 1 592 . 2 . 2 61 61 CYS HB2 H 1 2.986 0.000 . . . . . . B 1624 CYS HB2 . 34727 1 593 . 2 . 2 61 61 CYS HB3 H 1 2.811 0.000 . . . . . . B 1624 CYS HB3 . 34727 1 594 . 2 . 2 61 61 CYS CA C 13 63.809 0.000 . . . . . . B 1624 CYS CA . 34727 1 595 . 2 . 2 61 61 CYS CB C 13 30.503 0.001 . . . . . . B 1624 CYS CB . 34727 1 596 . 2 . 2 61 61 CYS N N 15 122.139 0.000 . . . . . . B 1624 CYS N . 34727 1 597 . 2 . 2 62 62 THR H H 1 7.910 0.000 . . . . . . B 1625 THR H . 34727 1 598 . 2 . 2 62 62 THR HA H 1 4.067 0.000 . . . . . . B 1625 THR HA . 34727 1 599 . 2 . 2 62 62 THR HB H 1 4.224 0.000 . . . . . . B 1625 THR HB . 34727 1 600 . 2 . 2 62 62 THR HG21 H 1 1.204 0.000 . . . . . . B 1625 THR HG21 . 34727 1 601 . 2 . 2 62 62 THR HG22 H 1 1.204 0.000 . . . . . . B 1625 THR HG22 . 34727 1 602 . 2 . 2 62 62 THR HG23 H 1 1.204 0.000 . . . . . . B 1625 THR HG23 . 34727 1 603 . 2 . 2 62 62 THR CA C 13 63.645 0.000 . . . . . . B 1625 THR CA . 34727 1 604 . 2 . 2 62 62 THR CB C 13 69.854 0.000 . . . . . . B 1625 THR CB . 34727 1 605 . 2 . 2 62 62 THR CG2 C 13 21.472 0.000 . . . . . . B 1625 THR CG2 . 34727 1 606 . 2 . 2 62 62 THR N N 15 115.343 0.000 . . . . . . B 1625 THR N . 34727 1 607 . 2 . 2 63 63 GLU H H 1 8.088 0.000 . . . . . . B 1626 GLU H . 34727 1 608 . 2 . 2 63 63 GLU HA H 1 4.292 0.000 . . . . . . B 1626 GLU HA . 34727 1 609 . 2 . 2 63 63 GLU HB2 H 1 2.110 0.000 . . . . . . B 1626 GLU HB2 . 34727 1 610 . 2 . 2 63 63 GLU HB3 H 1 2.008 0.000 . . . . . . B 1626 GLU HB3 . 34727 1 611 . 2 . 2 63 63 GLU HG2 H 1 2.326 0.000 . . . . . . B 1626 GLU HG2 . 34727 1 612 . 2 . 2 63 63 GLU HG3 H 1 2.251 0.000 . . . . . . B 1626 GLU HG3 . 34727 1 613 . 2 . 2 63 63 GLU CA C 13 56.944 0.000 . . . . . . B 1626 GLU CA . 34727 1 614 . 2 . 2 63 63 GLU CB C 13 29.735 0.038 . . . . . . B 1626 GLU CB . 34727 1 615 . 2 . 2 63 63 GLU CG C 13 36.422 0.007 . . . . . . B 1626 GLU CG . 34727 1 616 . 2 . 2 63 63 GLU N N 15 123.538 0.000 . . . . . . B 1626 GLU N . 34727 1 617 . 2 . 2 64 64 ARG H H 1 7.819 0.000 . . . . . . B 1627 ARG H . 34727 1 618 . 2 . 2 64 64 ARG HA H 1 4.210 0.000 . . . . . . B 1627 ARG HA . 34727 1 619 . 2 . 2 64 64 ARG HB2 H 1 1.891 0.000 . . . . . . B 1627 ARG HB2 . 34727 1 620 . 2 . 2 64 64 ARG HB3 H 1 1.743 0.000 . . . . . . B 1627 ARG HB3 . 34727 1 621 . 2 . 2 64 64 ARG HG2 H 1 1.641 0.000 . . . . . . B 1627 ARG HG2 . 34727 1 622 . 2 . 2 64 64 ARG HG3 H 1 1.641 0.000 . . . . . . B 1627 ARG HG3 . 34727 1 623 . 2 . 2 64 64 ARG HD2 H 1 3.227 0.000 . . . . . . B 1627 ARG HD2 . 34727 1 624 . 2 . 2 64 64 ARG HD3 H 1 3.227 0.000 . . . . . . B 1627 ARG HD3 . 34727 1 625 . 2 . 2 64 64 ARG CA C 13 57.608 0.000 . . . . . . B 1627 ARG CA . 34727 1 626 . 2 . 2 64 64 ARG CB C 13 31.854 0.030 . . . . . . B 1627 ARG CB . 34727 1 627 . 2 . 2 64 64 ARG CG C 13 27.293 0.000 . . . . . . B 1627 ARG CG . 34727 1 628 . 2 . 2 64 64 ARG CD C 13 43.699 0.000 . . . . . . B 1627 ARG CD . 34727 1 629 . 2 . 2 64 64 ARG N N 15 127.466 0.000 . . . . . . B 1627 ARG N . 34727 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 34727 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' . . . 34727 2 2 '2D 1H-13C HSQC aliphatic' . . . 34727 2 3 '2D 1H-13C HSQC aromatic' . . . 34727 2 4 '3D 1H-15N NOESY' . . . 34727 2 5 '3D 1H-13C NOESY aliphatic' . . . 34727 2 6 '3D 1H-13C NOESY aromatic' . . . 34727 2 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34727 2 8 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34727 2 9 '2D F2- FILTERED NOESY' . . . 34727 2 10 '2D F2- FILTERED NOESY' . . . 34727 2 11 '2D 1H-13C HSQC aliphatic' . . . 34727 2 12 '2D 1H-13C HSQC aliphatic' . . . 34727 2 13 '2D 1H-13C HSQC aromatic' . . . 34727 2 14 '2D 1H-13C HSQC aromatic' . . . 34727 2 15 '3D 1H-13C NOESY aliphatic' . . . 34727 2 16 '3D 1H-13C NOESY aliphatic' . . . 34727 2 17 '3D 1H-13C NOESY aromatic' . . . 34727 2 18 '3D 1H-13C NOESY aromatic' . . . 34727 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 . 1 . 1 1 1 ALA HB1 H 1 1.533 0.020 . 1 . . . . A -3 ALA HB1 . 34727 2 2 . 1 . 1 1 1 ALA HB2 H 1 1.533 0.020 . 1 . . . . A -3 ALA HB2 . 34727 2 3 . 1 . 1 1 1 ALA HB3 H 1 1.533 0.020 . 1 . . . . A -3 ALA HB3 . 34727 2 4 . 1 . 1 1 1 ALA CB C 13 19.855 0.400 . 1 . . . . A -3 ALA CB . 34727 2 5 . 1 . 1 2 2 GLY HA2 H 1 4.005 0.020 . 2 . . . . A -2 GLY HA2 . 34727 2 6 . 1 . 1 2 2 GLY HA3 H 1 4.005 0.020 . 2 . . . . A -2 GLY HA3 . 34727 2 7 . 1 . 1 2 2 GLY CA C 13 45.293 0.400 . 1 . . . . A -2 GLY CA . 34727 2 8 . 1 . 1 3 3 HIS HB2 H 1 3.146 0.020 . 1 . . . . A -1 HIS HB2 . 34727 2 9 . 1 . 1 3 3 HIS HB3 H 1 3.104 0.020 . 1 . . . . A -1 HIS HB3 . 34727 2 10 . 1 . 1 3 3 HIS HD2 H 1 7.055 0.020 . 1 . . . . A -1 HIS HD2 . 34727 2 11 . 1 . 1 3 3 HIS HE1 H 1 7.921 0.020 . 1 . . . . A -1 HIS HE1 . 34727 2 12 . 1 . 1 3 3 HIS CB C 13 30.955 0.400 . 1 . . . . A -1 HIS CB . 34727 2 13 . 1 . 1 3 3 HIS CD2 C 13 120.049 0.400 . 1 . . . . A -1 HIS CD2 . 34727 2 14 . 1 . 1 3 3 HIS CE1 C 13 138.467 0.400 . 1 . . . . A -1 HIS CE1 . 34727 2 15 . 1 . 1 4 4 MET HG2 H 1 2.548 0.020 . 2 . . . . A 1 MET HG2 . 34727 2 16 . 1 . 1 4 4 MET HG3 H 1 2.481 0.020 . 2 . . . . A 1 MET HG3 . 34727 2 17 . 1 . 1 4 4 MET HE1 H 1 2.115 0.020 . 1 . . . . A 1 MET HE1 . 34727 2 18 . 1 . 1 4 4 MET HE2 H 1 2.115 0.020 . 1 . . . . A 1 MET HE2 . 34727 2 19 . 1 . 1 4 4 MET HE3 H 1 2.115 0.020 . 1 . . . . A 1 MET HE3 . 34727 2 20 . 1 . 1 4 4 MET CG C 13 32.033 0.400 . 1 . . . . A 1 MET CG . 34727 2 21 . 1 . 1 4 4 MET CE C 13 17.084 0.400 . 1 . . . . A 1 MET CE . 34727 2 22 . 1 . 1 5 5 ALA H H 1 8.432 0.020 . 1 . . . . A 2 ALA H . 34727 2 23 . 1 . 1 5 5 ALA HB1 H 1 1.453 0.020 . 1 . . . . A 2 ALA HB1 . 34727 2 24 . 1 . 1 5 5 ALA HB2 H 1 1.453 0.020 . 1 . . . . A 2 ALA HB2 . 34727 2 25 . 1 . 1 5 5 ALA HB3 H 1 1.453 0.020 . 1 . . . . A 2 ALA HB3 . 34727 2 26 . 1 . 1 5 5 ALA CB C 13 19.449 0.400 . 1 . . . . A 2 ALA CB . 34727 2 27 . 1 . 1 5 5 ALA N N 15 125.558 0.400 . 1 . . . . A 2 ALA N . 34727 2 28 . 1 . 1 6 6 THR H H 1 8.124 0.020 . 1 . . . . A 3 THR H . 34727 2 29 . 1 . 1 6 6 THR HA H 1 4.431 0.020 . 1 . . . . A 3 THR HA . 34727 2 30 . 1 . 1 6 6 THR HB H 1 4.338 0.020 . 1 . . . . A 3 THR HB . 34727 2 31 . 1 . 1 6 6 THR HG21 H 1 1.267 0.020 . 1 . . . . A 3 THR HG21 . 34727 2 32 . 1 . 1 6 6 THR HG22 H 1 1.267 0.020 . 1 . . . . A 3 THR HG22 . 34727 2 33 . 1 . 1 6 6 THR HG23 H 1 1.267 0.020 . 1 . . . . A 3 THR HG23 . 34727 2 34 . 1 . 1 6 6 THR CA C 13 61.865 0.400 . 1 . . . . A 3 THR CA . 34727 2 35 . 1 . 1 6 6 THR CB C 13 69.910 0.400 . 1 . . . . A 3 THR CB . 34727 2 36 . 1 . 1 6 6 THR CG2 C 13 21.552 0.400 . 1 . . . . A 3 THR CG2 . 34727 2 37 . 1 . 1 6 6 THR N N 15 112.900 0.400 . 1 . . . . A 3 THR N . 34727 2 38 . 1 . 1 7 7 THR H H 1 8.027 0.020 . 1 . . . . A 4 THR H . 34727 2 39 . 1 . 1 7 7 THR HA H 1 4.422 0.020 . 1 . . . . A 4 THR HA . 34727 2 40 . 1 . 1 7 7 THR HB H 1 4.350 0.020 . 1 . . . . A 4 THR HB . 34727 2 41 . 1 . 1 7 7 THR HG21 H 1 1.306 0.020 . 1 . . . . A 4 THR HG21 . 34727 2 42 . 1 . 1 7 7 THR HG22 H 1 1.306 0.020 . 1 . . . . A 4 THR HG22 . 34727 2 43 . 1 . 1 7 7 THR HG23 H 1 1.306 0.020 . 1 . . . . A 4 THR HG23 . 34727 2 44 . 1 . 1 7 7 THR CA C 13 63.060 0.400 . 1 . . . . A 4 THR CA . 34727 2 45 . 1 . 1 7 7 THR CB C 13 70.118 0.400 . 1 . . . . A 4 THR CB . 34727 2 46 . 1 . 1 7 7 THR CG2 C 13 22.234 0.400 . 1 . . . . A 4 THR CG2 . 34727 2 47 . 1 . 1 7 7 THR N N 15 114.393 0.400 . 1 . . . . A 4 THR N . 34727 2 48 . 1 . 1 8 8 LYS H H 1 8.313 0.020 . 1 . . . . A 5 LYS H . 34727 2 49 . 1 . 1 8 8 LYS HB2 H 1 2.124 0.020 . 1 . . . . A 5 LYS HB2 . 34727 2 50 . 1 . 1 8 8 LYS HB3 H 1 1.868 0.020 . 1 . . . . A 5 LYS HB3 . 34727 2 51 . 1 . 1 8 8 LYS HG2 H 1 1.587 0.020 . 2 . . . . A 5 LYS HG2 . 34727 2 52 . 1 . 1 8 8 LYS HG3 H 1 1.494 0.020 . 2 . . . . A 5 LYS HG3 . 34727 2 53 . 1 . 1 8 8 LYS CB C 13 31.941 0.400 . 1 . . . . A 5 LYS CB . 34727 2 54 . 1 . 1 8 8 LYS CG C 13 25.075 0.400 . 1 . . . . A 5 LYS CG . 34727 2 55 . 1 . 1 8 8 LYS N N 15 120.270 0.400 . 1 . . . . A 5 LYS N . 34727 2 56 . 1 . 1 9 9 ARG HA H 1 4.478 0.020 . 1 . . . . A 6 ARG HA . 34727 2 57 . 1 . 1 9 9 ARG HB2 H 1 2.230 0.020 . 2 . . . . A 6 ARG HB2 . 34727 2 58 . 1 . 1 9 9 ARG HB3 H 1 1.758 0.020 . 2 . . . . A 6 ARG HB3 . 34727 2 59 . 1 . 1 9 9 ARG HD2 H 1 3.475 0.020 . 2 . . . . A 6 ARG HD2 . 34727 2 60 . 1 . 1 9 9 ARG HD3 H 1 3.234 0.020 . 2 . . . . A 6 ARG HD3 . 34727 2 61 . 1 . 1 9 9 ARG CA C 13 55.987 0.400 . 1 . . . . A 6 ARG CA . 34727 2 62 . 1 . 1 9 9 ARG CB C 13 32.117 0.400 . 1 . . . . A 6 ARG CB . 34727 2 63 . 1 . 1 9 9 ARG CD C 13 43.721 0.400 . 1 . . . . A 6 ARG CD . 34727 2 64 . 1 . 1 11 11 LEU H H 1 9.666 0.020 . 1 . . . . A 8 LEU H . 34727 2 65 . 1 . 1 11 11 LEU HA H 1 4.956 0.020 . 1 . . . . A 8 LEU HA . 34727 2 66 . 1 . 1 11 11 LEU HB2 H 1 1.324 0.020 . 1 . . . . A 8 LEU HB2 . 34727 2 67 . 1 . 1 11 11 LEU HB3 H 1 1.751 0.020 . 1 . . . . A 8 LEU HB3 . 34727 2 68 . 1 . 1 11 11 LEU HG H 1 1.872 0.020 . 1 . . . . A 8 LEU HG . 34727 2 69 . 1 . 1 11 11 LEU HD11 H 1 0.907 0.020 . 2 . . . . A 8 LEU HD11 . 34727 2 70 . 1 . 1 11 11 LEU HD12 H 1 0.907 0.020 . 2 . . . . A 8 LEU HD12 . 34727 2 71 . 1 . 1 11 11 LEU HD13 H 1 0.907 0.020 . 2 . . . . A 8 LEU HD13 . 34727 2 72 . 1 . 1 11 11 LEU HD21 H 1 0.754 0.020 . 2 . . . . A 8 LEU HD21 . 34727 2 73 . 1 . 1 11 11 LEU HD22 H 1 0.754 0.020 . 2 . . . . A 8 LEU HD22 . 34727 2 74 . 1 . 1 11 11 LEU HD23 H 1 0.754 0.020 . 2 . . . . A 8 LEU HD23 . 34727 2 75 . 1 . 1 11 11 LEU CA C 13 53.695 0.400 . 1 . . . . A 8 LEU CA . 34727 2 76 . 1 . 1 11 11 LEU CB C 13 43.067 0.400 . 1 . . . . A 8 LEU CB . 34727 2 77 . 1 . 1 11 11 LEU CG C 13 26.888 0.400 . 1 . . . . A 8 LEU CG . 34727 2 78 . 1 . 1 11 11 LEU CD1 C 13 26.685 0.400 . 1 . . . . A 8 LEU CD1 . 34727 2 79 . 1 . 1 11 11 LEU CD2 C 13 25.138 0.400 . 1 . . . . A 8 LEU CD2 . 34727 2 80 . 1 . 1 11 11 LEU N N 15 126.903 0.400 . 1 . . . . A 8 LEU N . 34727 2 81 . 1 . 1 12 12 TYR H H 1 9.240 0.020 . 1 . . . . A 9 TYR H . 34727 2 82 . 1 . 1 12 12 TYR HB2 H 1 3.012 0.020 . 1 . . . . A 9 TYR HB2 . 34727 2 83 . 1 . 1 12 12 TYR HB3 H 1 2.857 0.020 . 1 . . . . A 9 TYR HB3 . 34727 2 84 . 1 . 1 12 12 TYR HD1 H 1 6.883 0.020 . 1 . . . . A 9 TYR HD1 . 34727 2 85 . 1 . 1 12 12 TYR HD2 H 1 6.883 0.020 . 1 . . . . A 9 TYR HD2 . 34727 2 86 . 1 . 1 12 12 TYR HE1 H 1 6.307 0.020 . 1 . . . . A 9 TYR HE1 . 34727 2 87 . 1 . 1 12 12 TYR HE2 H 1 6.307 0.020 . 1 . . . . A 9 TYR HE2 . 34727 2 88 . 1 . 1 12 12 TYR CB C 13 40.546 0.400 . 1 . . . . A 9 TYR CB . 34727 2 89 . 1 . 1 12 12 TYR CD1 C 13 133.546 0.400 . 1 . . . . A 9 TYR CD1 . 34727 2 90 . 1 . 1 12 12 TYR CE1 C 13 117.907 0.400 . 1 . . . . A 9 TYR CE1 . 34727 2 91 . 1 . 1 12 12 TYR N N 15 123.762 0.400 . 1 . . . . A 9 TYR N . 34727 2 92 . 1 . 1 13 13 VAL H H 1 8.058 0.020 . 1 . . . . A 10 VAL H . 34727 2 93 . 1 . 1 13 13 VAL HA H 1 4.784 0.020 . 1 . . . . A 10 VAL HA . 34727 2 94 . 1 . 1 13 13 VAL HB H 1 1.591 0.020 . 1 . . . . A 10 VAL HB . 34727 2 95 . 1 . 1 13 13 VAL HG11 H 1 0.845 0.020 . 2 . . . . A 10 VAL HG11 . 34727 2 96 . 1 . 1 13 13 VAL HG12 H 1 0.845 0.020 . 2 . . . . A 10 VAL HG12 . 34727 2 97 . 1 . 1 13 13 VAL HG13 H 1 0.845 0.020 . 2 . . . . A 10 VAL HG13 . 34727 2 98 . 1 . 1 13 13 VAL HG21 H 1 0.569 0.020 . 2 . . . . A 10 VAL HG21 . 34727 2 99 . 1 . 1 13 13 VAL HG22 H 1 0.569 0.020 . 2 . . . . A 10 VAL HG22 . 34727 2 100 . 1 . 1 13 13 VAL HG23 H 1 0.569 0.020 . 2 . . . . A 10 VAL HG23 . 34727 2 101 . 1 . 1 13 13 VAL CA C 13 60.093 0.400 . 1 . . . . A 10 VAL CA . 34727 2 102 . 1 . 1 13 13 VAL CB C 13 33.035 0.400 . 1 . . . . A 10 VAL CB . 34727 2 103 . 1 . 1 13 13 VAL CG1 C 13 22.345 0.400 . 1 . . . . A 10 VAL CG1 . 34727 2 104 . 1 . 1 13 13 VAL CG2 C 13 21.171 0.400 . 1 . . . . A 10 VAL CG2 . 34727 2 105 . 1 . 1 13 13 VAL N N 15 127.344 0.400 . 1 . . . . A 10 VAL N . 34727 2 106 . 1 . 1 14 14 GLY H H 1 9.245 0.020 . 1 . . . . A 11 GLY H . 34727 2 107 . 1 . 1 14 14 GLY HA2 H 1 4.983 0.020 . 1 . . . . A 11 GLY HA2 . 34727 2 108 . 1 . 1 14 14 GLY HA3 H 1 3.654 0.020 . 1 . . . . A 11 GLY HA3 . 34727 2 109 . 1 . 1 14 14 GLY CA C 13 43.136 0.400 . 1 . . . . A 11 GLY CA . 34727 2 110 . 1 . 1 14 14 GLY N N 15 112.279 0.400 . 1 . . . . A 11 GLY N . 34727 2 111 . 1 . 1 15 15 GLY H H 1 8.072 0.020 . 1 . . . . A 12 GLY H . 34727 2 112 . 1 . 1 15 15 GLY HA2 H 1 4.462 0.020 . 1 . . . . A 12 GLY HA2 . 34727 2 113 . 1 . 1 15 15 GLY HA3 H 1 3.805 0.020 . 1 . . . . A 12 GLY HA3 . 34727 2 114 . 1 . 1 15 15 GLY CA C 13 45.980 0.400 . 1 . . . . A 12 GLY CA . 34727 2 115 . 1 . 1 15 15 GLY N N 15 107.504 0.400 . 1 . . . . A 12 GLY N . 34727 2 116 . 1 . 1 16 16 LEU H H 1 8.128 0.020 . 1 . . . . A 13 LEU H . 34727 2 117 . 1 . 1 16 16 LEU HA H 1 4.115 0.020 . 1 . . . . A 13 LEU HA . 34727 2 118 . 1 . 1 16 16 LEU HB2 H 1 1.163 0.020 . 2 . . . . A 13 LEU HB2 . 34727 2 119 . 1 . 1 16 16 LEU HB3 H 1 0.897 0.020 . 2 . . . . A 13 LEU HB3 . 34727 2 120 . 1 . 1 16 16 LEU HG H 1 1.321 0.020 . 1 . . . . A 13 LEU HG . 34727 2 121 . 1 . 1 16 16 LEU HD11 H 1 0.212 0.020 . 2 . . . . A 13 LEU HD11 . 34727 2 122 . 1 . 1 16 16 LEU HD12 H 1 0.212 0.020 . 2 . . . . A 13 LEU HD12 . 34727 2 123 . 1 . 1 16 16 LEU HD13 H 1 0.212 0.020 . 2 . . . . A 13 LEU HD13 . 34727 2 124 . 1 . 1 16 16 LEU HD21 H 1 0.578 0.020 . 2 . . . . A 13 LEU HD21 . 34727 2 125 . 1 . 1 16 16 LEU HD22 H 1 0.578 0.020 . 2 . . . . A 13 LEU HD22 . 34727 2 126 . 1 . 1 16 16 LEU HD23 H 1 0.578 0.020 . 2 . . . . A 13 LEU HD23 . 34727 2 127 . 1 . 1 16 16 LEU CA C 13 53.983 0.400 . 1 . . . . A 13 LEU CA . 34727 2 128 . 1 . 1 16 16 LEU CB C 13 42.399 0.400 . 1 . . . . A 13 LEU CB . 34727 2 129 . 1 . 1 16 16 LEU CG C 13 26.171 0.400 . 1 . . . . A 13 LEU CG . 34727 2 130 . 1 . 1 16 16 LEU CD1 C 13 25.645 0.400 . 1 . . . . A 13 LEU CD1 . 34727 2 131 . 1 . 1 16 16 LEU CD2 C 13 22.506 0.400 . 1 . . . . A 13 LEU CD2 . 34727 2 132 . 1 . 1 16 16 LEU N N 15 116.488 0.400 . 1 . . . . A 13 LEU N . 34727 2 133 . 1 . 1 17 17 ALA H H 1 8.515 0.020 . 1 . . . . A 14 ALA H . 34727 2 134 . 1 . 1 17 17 ALA HA H 1 4.333 0.020 . 1 . . . . A 14 ALA HA . 34727 2 135 . 1 . 1 17 17 ALA HB1 H 1 1.710 0.020 . 1 . . . . A 14 ALA HB1 . 34727 2 136 . 1 . 1 17 17 ALA HB2 H 1 1.710 0.020 . 1 . . . . A 14 ALA HB2 . 34727 2 137 . 1 . 1 17 17 ALA HB3 H 1 1.710 0.020 . 1 . . . . A 14 ALA HB3 . 34727 2 138 . 1 . 1 17 17 ALA CA C 13 51.593 0.400 . 1 . . . . A 14 ALA CA . 34727 2 139 . 1 . 1 17 17 ALA CB C 13 19.766 0.400 . 1 . . . . A 14 ALA CB . 34727 2 140 . 1 . 1 17 17 ALA N N 15 126.638 0.400 . 1 . . . . A 14 ALA N . 34727 2 141 . 1 . 1 18 18 GLU H H 1 9.059 0.020 . 1 . . . . A 15 GLU H . 34727 2 142 . 1 . 1 18 18 GLU HA H 1 3.646 0.020 . 1 . . . . A 15 GLU HA . 34727 2 143 . 1 . 1 18 18 GLU HB2 H 1 1.997 0.020 . 2 . . . . A 15 GLU HB2 . 34727 2 144 . 1 . 1 18 18 GLU HB3 H 1 1.892 0.020 . 2 . . . . A 15 GLU HB3 . 34727 2 145 . 1 . 1 18 18 GLU HG2 H 1 2.245 0.020 . 2 . . . . A 15 GLU HG2 . 34727 2 146 . 1 . 1 18 18 GLU HG3 H 1 2.245 0.020 . 2 . . . . A 15 GLU HG3 . 34727 2 147 . 1 . 1 18 18 GLU CA C 13 60.159 0.400 . 1 . . . . A 15 GLU CA . 34727 2 148 . 1 . 1 18 18 GLU CB C 13 29.707 0.400 . 1 . . . . A 15 GLU CB . 34727 2 149 . 1 . 1 18 18 GLU CG C 13 36.776 0.400 . 1 . . . . A 15 GLU CG . 34727 2 150 . 1 . 1 18 18 GLU N N 15 122.439 0.400 . 1 . . . . A 15 GLU N . 34727 2 151 . 1 . 1 19 19 GLU H H 1 9.010 0.020 . 1 . . . . A 16 GLU H . 34727 2 152 . 1 . 1 19 19 GLU HA H 1 4.027 0.020 . 1 . . . . A 16 GLU HA . 34727 2 153 . 1 . 1 19 19 GLU HB2 H 1 1.826 0.020 . 2 . . . . A 16 GLU HB2 . 34727 2 154 . 1 . 1 19 19 GLU HB3 H 1 1.560 0.020 . 2 . . . . A 16 GLU HB3 . 34727 2 155 . 1 . 1 19 19 GLU HG2 H 1 2.297 0.020 . 2 . . . . A 16 GLU HG2 . 34727 2 156 . 1 . 1 19 19 GLU HG3 H 1 2.144 0.020 . 2 . . . . A 16 GLU HG3 . 34727 2 157 . 1 . 1 19 19 GLU CA C 13 58.185 0.400 . 1 . . . . A 16 GLU CA . 34727 2 158 . 1 . 1 19 19 GLU CB C 13 29.186 0.400 . 1 . . . . A 16 GLU CB . 34727 2 159 . 1 . 1 19 19 GLU CG C 13 37.144 0.400 . 1 . . . . A 16 GLU CG . 34727 2 160 . 1 . 1 19 19 GLU N N 15 114.328 0.400 . 1 . . . . A 16 GLU N . 34727 2 161 . 1 . 1 20 20 VAL H H 1 7.588 0.020 . 1 . . . . A 17 VAL H . 34727 2 162 . 1 . 1 20 20 VAL HA H 1 3.172 0.020 . 1 . . . . A 17 VAL HA . 34727 2 163 . 1 . 1 20 20 VAL HB H 1 2.135 0.020 . 1 . . . . A 17 VAL HB . 34727 2 164 . 1 . 1 20 20 VAL HG11 H 1 0.796 0.020 . 2 . . . . A 17 VAL HG11 . 34727 2 165 . 1 . 1 20 20 VAL HG12 H 1 0.796 0.020 . 2 . . . . A 17 VAL HG12 . 34727 2 166 . 1 . 1 20 20 VAL HG13 H 1 0.796 0.020 . 2 . . . . A 17 VAL HG13 . 34727 2 167 . 1 . 1 20 20 VAL HG21 H 1 0.870 0.020 . 2 . . . . A 17 VAL HG21 . 34727 2 168 . 1 . 1 20 20 VAL HG22 H 1 0.870 0.020 . 2 . . . . A 17 VAL HG22 . 34727 2 169 . 1 . 1 20 20 VAL HG23 H 1 0.870 0.020 . 2 . . . . A 17 VAL HG23 . 34727 2 170 . 1 . 1 20 20 VAL CA C 13 65.511 0.400 . 1 . . . . A 17 VAL CA . 34727 2 171 . 1 . 1 20 20 VAL CB C 13 30.825 0.400 . 1 . . . . A 17 VAL CB . 34727 2 172 . 1 . 1 20 20 VAL CG1 C 13 22.303 0.400 . 1 . . . . A 17 VAL CG1 . 34727 2 173 . 1 . 1 20 20 VAL CG2 C 13 23.290 0.400 . 1 . . . . A 17 VAL CG2 . 34727 2 174 . 1 . 1 20 20 VAL N N 15 119.129 0.400 . 1 . . . . A 17 VAL N . 34727 2 175 . 1 . 1 21 21 ASP H H 1 6.803 0.020 . 1 . . . . A 18 ASP H . 34727 2 176 . 1 . 1 21 21 ASP HA H 1 4.725 0.020 . 1 . . . . A 18 ASP HA . 34727 2 177 . 1 . 1 21 21 ASP HB2 H 1 3.236 0.020 . 2 . . . . A 18 ASP HB2 . 34727 2 178 . 1 . 1 21 21 ASP HB3 H 1 2.790 0.020 . 2 . . . . A 18 ASP HB3 . 34727 2 179 . 1 . 1 21 21 ASP CA C 13 51.648 0.400 . 1 . . . . A 18 ASP CA . 34727 2 180 . 1 . 1 21 21 ASP CB C 13 42.850 0.400 . 1 . . . . A 18 ASP CB . 34727 2 181 . 1 . 1 21 21 ASP N N 15 125.772 0.400 . 1 . . . . A 18 ASP N . 34727 2 182 . 1 . 1 22 22 ASP H H 1 8.850 0.020 . 1 . . . . A 19 ASP H . 34727 2 183 . 1 . 1 22 22 ASP HA H 1 3.988 0.020 . 1 . . . . A 19 ASP HA . 34727 2 184 . 1 . 1 22 22 ASP HB2 H 1 2.668 0.020 . 1 . . . . A 19 ASP HB2 . 34727 2 185 . 1 . 1 22 22 ASP HB3 H 1 2.625 0.020 . 1 . . . . A 19 ASP HB3 . 34727 2 186 . 1 . 1 22 22 ASP CA C 13 57.763 0.400 . 1 . . . . A 19 ASP CA . 34727 2 187 . 1 . 1 22 22 ASP CB C 13 39.321 0.400 . 1 . . . . A 19 ASP CB . 34727 2 188 . 1 . 1 22 22 ASP N N 15 115.921 0.400 . 1 . . . . A 19 ASP N . 34727 2 189 . 1 . 1 23 23 LYS H H 1 7.643 0.020 . 1 . . . . A 20 LYS H . 34727 2 190 . 1 . 1 23 23 LYS HA H 1 4.137 0.020 . 1 . . . . A 20 LYS HA . 34727 2 191 . 1 . 1 23 23 LYS HB2 H 1 1.935 0.020 . 1 . . . . A 20 LYS HB2 . 34727 2 192 . 1 . 1 23 23 LYS HB3 H 1 2.191 0.020 . 1 . . . . A 20 LYS HB3 . 34727 2 193 . 1 . 1 23 23 LYS HG2 H 1 1.589 0.020 . 1 . . . . A 20 LYS HG2 . 34727 2 194 . 1 . 1 23 23 LYS HG3 H 1 1.498 0.020 . 1 . . . . A 20 LYS HG3 . 34727 2 195 . 1 . 1 23 23 LYS HD2 H 1 1.727 0.020 . 2 . . . . A 20 LYS HD2 . 34727 2 196 . 1 . 1 23 23 LYS HD3 H 1 1.727 0.020 . 2 . . . . A 20 LYS HD3 . 34727 2 197 . 1 . 1 23 23 LYS HE2 H 1 3.075 0.020 . 2 . . . . A 20 LYS HE2 . 34727 2 198 . 1 . 1 23 23 LYS HE3 H 1 3.075 0.020 . 2 . . . . A 20 LYS HE3 . 34727 2 199 . 1 . 1 23 23 LYS CA C 13 59.427 0.400 . 1 . . . . A 20 LYS CA . 34727 2 200 . 1 . 1 23 23 LYS CB C 13 31.573 0.400 . 1 . . . . A 20 LYS CB . 34727 2 201 . 1 . 1 23 23 LYS CG C 13 25.226 0.400 . 1 . . . . A 20 LYS CG . 34727 2 202 . 1 . 1 23 23 LYS CD C 13 28.752 0.400 . 1 . . . . A 20 LYS CD . 34727 2 203 . 1 . 1 23 23 LYS CE C 13 42.146 0.400 . 1 . . . . A 20 LYS CE . 34727 2 204 . 1 . 1 23 23 LYS N N 15 121.306 0.400 . 1 . . . . A 20 LYS N . 34727 2 205 . 1 . 1 24 24 VAL H H 1 8.304 0.020 . 1 . . . . A 21 VAL H . 34727 2 206 . 1 . 1 24 24 VAL HA H 1 3.857 0.020 . 1 . . . . A 21 VAL HA . 34727 2 207 . 1 . 1 24 24 VAL HB H 1 2.231 0.020 . 1 . . . . A 21 VAL HB . 34727 2 208 . 1 . 1 24 24 VAL HG11 H 1 1.023 0.020 . 2 . . . . A 21 VAL HG11 . 34727 2 209 . 1 . 1 24 24 VAL HG12 H 1 1.023 0.020 . 2 . . . . A 21 VAL HG12 . 34727 2 210 . 1 . 1 24 24 VAL HG13 H 1 1.023 0.020 . 2 . . . . A 21 VAL HG13 . 34727 2 211 . 1 . 1 24 24 VAL HG21 H 1 1.320 0.020 . 2 . . . . A 21 VAL HG21 . 34727 2 212 . 1 . 1 24 24 VAL HG22 H 1 1.320 0.020 . 2 . . . . A 21 VAL HG22 . 34727 2 213 . 1 . 1 24 24 VAL HG23 H 1 1.320 0.020 . 2 . . . . A 21 VAL HG23 . 34727 2 214 . 1 . 1 24 24 VAL CA C 13 66.069 0.400 . 1 . . . . A 21 VAL CA . 34727 2 215 . 1 . 1 24 24 VAL CB C 13 32.542 0.400 . 1 . . . . A 21 VAL CB . 34727 2 216 . 1 . 1 24 24 VAL CG1 C 13 22.567 0.400 . 1 . . . . A 21 VAL CG1 . 34727 2 217 . 1 . 1 24 24 VAL CG2 C 13 22.531 0.400 . 1 . . . . A 21 VAL CG2 . 34727 2 218 . 1 . 1 24 24 VAL N N 15 122.215 0.400 . 1 . . . . A 21 VAL N . 34727 2 219 . 1 . 1 25 25 LEU H H 1 8.035 0.020 . 1 . . . . A 22 LEU H . 34727 2 220 . 1 . 1 25 25 LEU HA H 1 4.119 0.020 . 1 . . . . A 22 LEU HA . 34727 2 221 . 1 . 1 25 25 LEU HB2 H 1 1.865 0.020 . 1 . . . . A 22 LEU HB2 . 34727 2 222 . 1 . 1 25 25 LEU HB3 H 1 1.251 0.020 . 1 . . . . A 22 LEU HB3 . 34727 2 223 . 1 . 1 25 25 LEU HG H 1 1.595 0.020 . 1 . . . . A 22 LEU HG . 34727 2 224 . 1 . 1 25 25 LEU HD11 H 1 0.451 0.020 . 2 . . . . A 22 LEU HD11 . 34727 2 225 . 1 . 1 25 25 LEU HD12 H 1 0.451 0.020 . 2 . . . . A 22 LEU HD12 . 34727 2 226 . 1 . 1 25 25 LEU HD13 H 1 0.451 0.020 . 2 . . . . A 22 LEU HD13 . 34727 2 227 . 1 . 1 25 25 LEU HD21 H 1 0.670 0.020 . 2 . . . . A 22 LEU HD21 . 34727 2 228 . 1 . 1 25 25 LEU HD22 H 1 0.670 0.020 . 2 . . . . A 22 LEU HD22 . 34727 2 229 . 1 . 1 25 25 LEU HD23 H 1 0.670 0.020 . 2 . . . . A 22 LEU HD23 . 34727 2 230 . 1 . 1 25 25 LEU CA C 13 58.235 0.400 . 1 . . . . A 22 LEU CA . 34727 2 231 . 1 . 1 25 25 LEU CB C 13 42.646 0.400 . 1 . . . . A 22 LEU CB . 34727 2 232 . 1 . 1 25 25 LEU CG C 13 26.473 0.400 . 1 . . . . A 22 LEU CG . 34727 2 233 . 1 . 1 25 25 LEU CD1 C 13 26.039 0.400 . 1 . . . . A 22 LEU CD1 . 34727 2 234 . 1 . 1 25 25 LEU CD2 C 13 23.435 0.400 . 1 . . . . A 22 LEU CD2 . 34727 2 235 . 1 . 1 25 25 LEU N N 15 118.429 0.400 . 1 . . . . A 22 LEU N . 34727 2 236 . 1 . 1 26 26 HIS H H 1 8.662 0.020 . 1 . . . . A 23 HIS H . 34727 2 237 . 1 . 1 26 26 HIS HA H 1 3.880 0.020 . 1 . . . . A 23 HIS HA . 34727 2 238 . 1 . 1 26 26 HIS HB2 H 1 3.279 0.020 . 1 . . . . A 23 HIS HB2 . 34727 2 239 . 1 . 1 26 26 HIS HB3 H 1 3.193 0.020 . 1 . . . . A 23 HIS HB3 . 34727 2 240 . 1 . 1 26 26 HIS HD2 H 1 6.935 0.020 . 1 . . . . A 23 HIS HD2 . 34727 2 241 . 1 . 1 26 26 HIS HE1 H 1 7.913 0.020 . 1 . . . . A 23 HIS HE1 . 34727 2 242 . 1 . 1 26 26 HIS CA C 13 61.988 0.400 . 1 . . . . A 23 HIS CA . 34727 2 243 . 1 . 1 26 26 HIS CB C 13 30.600 0.400 . 1 . . . . A 23 HIS CB . 34727 2 244 . 1 . 1 26 26 HIS CD2 C 13 118.771 0.400 . 1 . . . . A 23 HIS CD2 . 34727 2 245 . 1 . 1 26 26 HIS CE1 C 13 138.061 0.400 . 1 . . . . A 23 HIS CE1 . 34727 2 246 . 1 . 1 26 26 HIS N N 15 119.113 0.400 . 1 . . . . A 23 HIS N . 34727 2 247 . 1 . 1 27 27 ALA H H 1 7.836 0.020 . 1 . . . . A 24 ALA H . 34727 2 248 . 1 . 1 27 27 ALA HA H 1 4.179 0.020 . 1 . . . . A 24 ALA HA . 34727 2 249 . 1 . 1 27 27 ALA HB1 H 1 1.621 0.020 . 1 . . . . A 24 ALA HB1 . 34727 2 250 . 1 . 1 27 27 ALA HB2 H 1 1.621 0.020 . 1 . . . . A 24 ALA HB2 . 34727 2 251 . 1 . 1 27 27 ALA HB3 H 1 1.621 0.020 . 1 . . . . A 24 ALA HB3 . 34727 2 252 . 1 . 1 27 27 ALA CA C 13 54.916 0.400 . 1 . . . . A 24 ALA CA . 34727 2 253 . 1 . 1 27 27 ALA CB C 13 18.310 0.400 . 1 . . . . A 24 ALA CB . 34727 2 254 . 1 . 1 27 27 ALA N N 15 117.748 0.400 . 1 . . . . A 24 ALA N . 34727 2 255 . 1 . 1 28 28 ALA H H 1 7.965 0.020 . 1 . . . . A 25 ALA H . 34727 2 256 . 1 . 1 28 28 ALA HA H 1 4.206 0.020 . 1 . . . . A 25 ALA HA . 34727 2 257 . 1 . 1 28 28 ALA HB1 H 1 1.394 0.020 . 1 . . . . A 25 ALA HB1 . 34727 2 258 . 1 . 1 28 28 ALA HB2 H 1 1.394 0.020 . 1 . . . . A 25 ALA HB2 . 34727 2 259 . 1 . 1 28 28 ALA HB3 H 1 1.394 0.020 . 1 . . . . A 25 ALA HB3 . 34727 2 260 . 1 . 1 28 28 ALA CA C 13 53.736 0.400 . 1 . . . . A 25 ALA CA . 34727 2 261 . 1 . 1 28 28 ALA CB C 13 18.826 0.400 . 1 . . . . A 25 ALA CB . 34727 2 262 . 1 . 1 28 28 ALA N N 15 117.210 0.400 . 1 . . . . A 25 ALA N . 34727 2 263 . 1 . 1 29 29 PHE H H 1 7.876 0.020 . 1 . . . . A 26 PHE H . 34727 2 264 . 1 . 1 29 29 PHE HA H 1 5.026 0.020 . 1 . . . . A 26 PHE HA . 34727 2 265 . 1 . 1 29 29 PHE HB2 H 1 2.935 0.020 . 1 . . . . A 26 PHE HB2 . 34727 2 266 . 1 . 1 29 29 PHE HB3 H 1 3.481 0.020 . 1 . . . . A 26 PHE HB3 . 34727 2 267 . 1 . 1 29 29 PHE HD1 H 1 7.769 0.020 . 1 . . . . A 26 PHE HD1 . 34727 2 268 . 1 . 1 29 29 PHE HD2 H 1 7.769 0.020 . 1 . . . . A 26 PHE HD2 . 34727 2 269 . 1 . 1 29 29 PHE HE1 H 1 6.958 0.020 . 1 . . . . A 26 PHE HE1 . 34727 2 270 . 1 . 1 29 29 PHE HE2 H 1 6.958 0.020 . 1 . . . . A 26 PHE HE2 . 34727 2 271 . 1 . 1 29 29 PHE HZ H 1 6.969 0.020 . 1 . . . . A 26 PHE HZ . 34727 2 272 . 1 . 1 29 29 PHE CA C 13 60.494 0.400 . 1 . . . . A 26 PHE CA . 34727 2 273 . 1 . 1 29 29 PHE CB C 13 40.663 0.400 . 1 . . . . A 26 PHE CB . 34727 2 274 . 1 . 1 29 29 PHE CD1 C 13 131.850 0.400 . 1 . . . . A 26 PHE CD1 . 34727 2 275 . 1 . 1 29 29 PHE CE1 C 13 130.290 0.400 . 1 . . . . A 26 PHE CE1 . 34727 2 276 . 1 . 1 29 29 PHE CZ C 13 128.839 0.400 . 1 . . . . A 26 PHE CZ . 34727 2 277 . 1 . 1 29 29 PHE N N 15 112.151 0.400 . 1 . . . . A 26 PHE N . 34727 2 278 . 1 . 1 30 30 ILE H H 1 8.625 0.020 . 1 . . . . A 27 ILE H . 34727 2 279 . 1 . 1 30 30 ILE HA H 1 4.753 0.020 . 1 . . . . A 27 ILE HA . 34727 2 280 . 1 . 1 30 30 ILE HB H 1 1.667 0.020 . 1 . . . . A 27 ILE HB . 34727 2 281 . 1 . 1 30 30 ILE HG12 H 1 1.479 0.020 . 2 . . . . A 27 ILE HG12 . 34727 2 282 . 1 . 1 30 30 ILE HG13 H 1 1.382 0.020 . 2 . . . . A 27 ILE HG13 . 34727 2 283 . 1 . 1 30 30 ILE HG21 H 1 0.996 0.020 . 1 . . . . A 27 ILE HG21 . 34727 2 284 . 1 . 1 30 30 ILE HG22 H 1 0.996 0.020 . 1 . . . . A 27 ILE HG22 . 34727 2 285 . 1 . 1 30 30 ILE HG23 H 1 0.996 0.020 . 1 . . . . A 27 ILE HG23 . 34727 2 286 . 1 . 1 30 30 ILE HD11 H 1 1.138 0.020 . 1 . . . . A 27 ILE HD11 . 34727 2 287 . 1 . 1 30 30 ILE HD12 H 1 1.138 0.020 . 1 . . . . A 27 ILE HD12 . 34727 2 288 . 1 . 1 30 30 ILE HD13 H 1 1.138 0.020 . 1 . . . . A 27 ILE HD13 . 34727 2 289 . 1 . 1 30 30 ILE CA C 13 60.946 0.400 . 1 . . . . A 27 ILE CA . 34727 2 290 . 1 . 1 30 30 ILE CB C 13 38.528 0.400 . 1 . . . . A 27 ILE CB . 34727 2 291 . 1 . 1 30 30 ILE CG1 C 13 29.735 0.400 . 1 . . . . A 27 ILE CG1 . 34727 2 292 . 1 . 1 30 30 ILE CG2 C 13 19.535 0.400 . 1 . . . . A 27 ILE CG2 . 34727 2 293 . 1 . 1 30 30 ILE CD1 C 13 14.639 0.400 . 1 . . . . A 27 ILE CD1 . 34727 2 294 . 1 . 1 30 30 ILE N N 15 123.335 0.400 . 1 . . . . A 27 ILE N . 34727 2 295 . 1 . 1 31 31 PRO HA H 1 4.172 0.020 . 1 . . . . A 28 PRO HA . 34727 2 296 . 1 . 1 31 31 PRO HB2 H 1 0.446 0.020 . 1 . . . . A 28 PRO HB2 . 34727 2 297 . 1 . 1 31 31 PRO HB3 H 1 1.983 0.020 . 1 . . . . A 28 PRO HB3 . 34727 2 298 . 1 . 1 31 31 PRO HG2 H 1 1.691 0.020 . 2 . . . . A 28 PRO HG2 . 34727 2 299 . 1 . 1 31 31 PRO HG3 H 1 1.691 0.020 . 2 . . . . A 28 PRO HG3 . 34727 2 300 . 1 . 1 31 31 PRO HD2 H 1 2.987 0.020 . 1 . . . . A 28 PRO HD2 . 34727 2 301 . 1 . 1 31 31 PRO HD3 H 1 3.829 0.020 . 1 . . . . A 28 PRO HD3 . 34727 2 302 . 1 . 1 31 31 PRO CA C 13 65.480 0.400 . 1 . . . . A 28 PRO CA . 34727 2 303 . 1 . 1 31 31 PRO CB C 13 30.862 0.400 . 1 . . . . A 28 PRO CB . 34727 2 304 . 1 . 1 31 31 PRO CG C 13 28.305 0.400 . 1 . . . . A 28 PRO CG . 34727 2 305 . 1 . 1 31 31 PRO CD C 13 52.273 0.400 . 1 . . . . A 28 PRO CD . 34727 2 306 . 1 . 1 32 32 PHE H H 1 7.600 0.020 . 1 . . . . A 29 PHE H . 34727 2 307 . 1 . 1 32 32 PHE HA H 1 4.242 0.020 . 1 . . . . A 29 PHE HA . 34727 2 308 . 1 . 1 32 32 PHE HB2 H 1 3.344 0.020 . 1 . . . . A 29 PHE HB2 . 34727 2 309 . 1 . 1 32 32 PHE HB3 H 1 3.057 0.020 . 1 . . . . A 29 PHE HB3 . 34727 2 310 . 1 . 1 32 32 PHE HD1 H 1 7.256 0.020 . 1 . . . . A 29 PHE HD1 . 34727 2 311 . 1 . 1 32 32 PHE HD2 H 1 7.256 0.020 . 1 . . . . A 29 PHE HD2 . 34727 2 312 . 1 . 1 32 32 PHE HE1 H 1 7.596 0.020 . 1 . . . . A 29 PHE HE1 . 34727 2 313 . 1 . 1 32 32 PHE HE2 H 1 7.596 0.020 . 1 . . . . A 29 PHE HE2 . 34727 2 314 . 1 . 1 32 32 PHE HZ H 1 7.396 0.020 . 1 . . . . A 29 PHE HZ . 34727 2 315 . 1 . 1 32 32 PHE CA C 13 59.648 0.400 . 1 . . . . A 29 PHE CA . 34727 2 316 . 1 . 1 32 32 PHE CB C 13 38.914 0.400 . 1 . . . . A 29 PHE CB . 34727 2 317 . 1 . 1 32 32 PHE CD1 C 13 131.408 0.400 . 1 . . . . A 29 PHE CD1 . 34727 2 318 . 1 . 1 32 32 PHE CE1 C 13 131.592 0.400 . 1 . . . . A 29 PHE CE1 . 34727 2 319 . 1 . 1 32 32 PHE CZ C 13 131.717 0.400 . 1 . . . . A 29 PHE CZ . 34727 2 320 . 1 . 1 32 32 PHE N N 15 112.112 0.400 . 1 . . . . A 29 PHE N . 34727 2 321 . 1 . 1 33 33 GLY H H 1 7.636 0.020 . 1 . . . . A 30 GLY H . 34727 2 322 . 1 . 1 33 33 GLY HA2 H 1 5.026 0.020 . 1 . . . . A 30 GLY HA2 . 34727 2 323 . 1 . 1 33 33 GLY HA3 H 1 3.816 0.020 . 1 . . . . A 30 GLY HA3 . 34727 2 324 . 1 . 1 33 33 GLY CA C 13 44.501 0.400 . 1 . . . . A 30 GLY CA . 34727 2 325 . 1 . 1 33 33 GLY N N 15 106.128 0.400 . 1 . . . . A 30 GLY N . 34727 2 326 . 1 . 1 34 34 ASP H H 1 8.033 0.020 . 1 . . . . A 31 ASP H . 34727 2 327 . 1 . 1 34 34 ASP HA H 1 4.539 0.020 . 1 . . . . A 31 ASP HA . 34727 2 328 . 1 . 1 34 34 ASP HB2 H 1 2.655 0.020 . 2 . . . . A 31 ASP HB2 . 34727 2 329 . 1 . 1 34 34 ASP HB3 H 1 2.655 0.020 . 2 . . . . A 31 ASP HB3 . 34727 2 330 . 1 . 1 34 34 ASP CA C 13 56.528 0.400 . 1 . . . . A 31 ASP CA . 34727 2 331 . 1 . 1 34 34 ASP CB C 13 41.196 0.400 . 1 . . . . A 31 ASP CB . 34727 2 332 . 1 . 1 34 34 ASP N N 15 114.552 0.400 . 1 . . . . A 31 ASP N . 34727 2 333 . 1 . 1 35 35 ILE H H 1 7.488 0.020 . 1 . . . . A 32 ILE H . 34727 2 334 . 1 . 1 35 35 ILE HA H 1 4.191 0.020 . 1 . . . . A 32 ILE HA . 34727 2 335 . 1 . 1 35 35 ILE HB H 1 1.441 0.020 . 1 . . . . A 32 ILE HB . 34727 2 336 . 1 . 1 35 35 ILE HG12 H 1 -0.139 0.020 . 1 . . . . A 32 ILE HG12 . 34727 2 337 . 1 . 1 35 35 ILE HG13 H 1 1.684 0.020 . 1 . . . . A 32 ILE HG13 . 34727 2 338 . 1 . 1 35 35 ILE HG21 H 1 0.717 0.020 . 1 . . . . A 32 ILE HG21 . 34727 2 339 . 1 . 1 35 35 ILE HG22 H 1 0.717 0.020 . 1 . . . . A 32 ILE HG22 . 34727 2 340 . 1 . 1 35 35 ILE HG23 H 1 0.717 0.020 . 1 . . . . A 32 ILE HG23 . 34727 2 341 . 1 . 1 35 35 ILE HD11 H 1 0.423 0.020 . 1 . . . . A 32 ILE HD11 . 34727 2 342 . 1 . 1 35 35 ILE HD12 H 1 0.423 0.020 . 1 . . . . A 32 ILE HD12 . 34727 2 343 . 1 . 1 35 35 ILE HD13 H 1 0.423 0.020 . 1 . . . . A 32 ILE HD13 . 34727 2 344 . 1 . 1 35 35 ILE CA C 13 60.727 0.400 . 1 . . . . A 32 ILE CA . 34727 2 345 . 1 . 1 35 35 ILE CB C 13 41.790 0.400 . 1 . . . . A 32 ILE CB . 34727 2 346 . 1 . 1 35 35 ILE CG1 C 13 27.668 0.400 . 1 . . . . A 32 ILE CG1 . 34727 2 347 . 1 . 1 35 35 ILE CG2 C 13 17.268 0.400 . 1 . . . . A 32 ILE CG2 . 34727 2 348 . 1 . 1 35 35 ILE CD1 C 13 14.578 0.400 . 1 . . . . A 32 ILE CD1 . 34727 2 349 . 1 . 1 35 35 ILE N N 15 124.590 0.400 . 1 . . . . A 32 ILE N . 34727 2 350 . 1 . 1 36 36 THR H H 1 8.993 0.020 . 1 . . . . A 33 THR H . 34727 2 351 . 1 . 1 36 36 THR HA H 1 4.352 0.020 . 1 . . . . A 33 THR HA . 34727 2 352 . 1 . 1 36 36 THR HB H 1 4.104 0.020 . 1 . . . . A 33 THR HB . 34727 2 353 . 1 . 1 36 36 THR HG21 H 1 1.124 0.020 . 1 . . . . A 33 THR HG21 . 34727 2 354 . 1 . 1 36 36 THR HG22 H 1 1.124 0.020 . 1 . . . . A 33 THR HG22 . 34727 2 355 . 1 . 1 36 36 THR HG23 H 1 1.124 0.020 . 1 . . . . A 33 THR HG23 . 34727 2 356 . 1 . 1 36 36 THR CA C 13 62.877 0.400 . 1 . . . . A 33 THR CA . 34727 2 357 . 1 . 1 36 36 THR CB C 13 68.908 0.400 . 1 . . . . A 33 THR CB . 34727 2 358 . 1 . 1 36 36 THR CG2 C 13 22.685 0.400 . 1 . . . . A 33 THR CG2 . 34727 2 359 . 1 . 1 36 36 THR N N 15 120.841 0.400 . 1 . . . . A 33 THR N . 34727 2 360 . 1 . 1 37 37 ASP H H 1 7.613 0.020 . 1 . . . . A 34 ASP H . 34727 2 361 . 1 . 1 37 37 ASP HA H 1 4.893 0.020 . 1 . . . . A 34 ASP HA . 34727 2 362 . 1 . 1 37 37 ASP HB2 H 1 2.799 0.020 . 1 . . . . A 34 ASP HB2 . 34727 2 363 . 1 . 1 37 37 ASP HB3 H 1 2.378 0.020 . 1 . . . . A 34 ASP HB3 . 34727 2 364 . 1 . 1 37 37 ASP CA C 13 54.900 0.400 . 1 . . . . A 34 ASP CA . 34727 2 365 . 1 . 1 37 37 ASP CB C 13 44.272 0.400 . 1 . . . . A 34 ASP CB . 34727 2 366 . 1 . 1 37 37 ASP N N 15 120.601 0.400 . 1 . . . . A 34 ASP N . 34727 2 367 . 1 . 1 38 38 ILE H H 1 8.176 0.020 . 1 . . . . A 35 ILE H . 34727 2 368 . 1 . 1 38 38 ILE HA H 1 4.684 0.020 . 1 . . . . A 35 ILE HA . 34727 2 369 . 1 . 1 38 38 ILE HB H 1 1.763 0.020 . 1 . . . . A 35 ILE HB . 34727 2 370 . 1 . 1 38 38 ILE HG12 H 1 1.751 0.020 . 1 . . . . A 35 ILE HG12 . 34727 2 371 . 1 . 1 38 38 ILE HG13 H 1 0.954 0.020 . 1 . . . . A 35 ILE HG13 . 34727 2 372 . 1 . 1 38 38 ILE HG21 H 1 0.742 0.020 . 1 . . . . A 35 ILE HG21 . 34727 2 373 . 1 . 1 38 38 ILE HG22 H 1 0.742 0.020 . 1 . . . . A 35 ILE HG22 . 34727 2 374 . 1 . 1 38 38 ILE HG23 H 1 0.742 0.020 . 1 . . . . A 35 ILE HG23 . 34727 2 375 . 1 . 1 38 38 ILE HD11 H 1 0.987 0.020 . 1 . . . . A 35 ILE HD11 . 34727 2 376 . 1 . 1 38 38 ILE HD12 H 1 0.987 0.020 . 1 . . . . A 35 ILE HD12 . 34727 2 377 . 1 . 1 38 38 ILE HD13 H 1 0.987 0.020 . 1 . . . . A 35 ILE HD13 . 34727 2 378 . 1 . 1 38 38 ILE CA C 13 61.695 0.400 . 1 . . . . A 35 ILE CA . 34727 2 379 . 1 . 1 38 38 ILE CB C 13 41.630 0.400 . 1 . . . . A 35 ILE CB . 34727 2 380 . 1 . 1 38 38 ILE CG1 C 13 28.795 0.400 . 1 . . . . A 35 ILE CG1 . 34727 2 381 . 1 . 1 38 38 ILE CG2 C 13 17.098 0.400 . 1 . . . . A 35 ILE CG2 . 34727 2 382 . 1 . 1 38 38 ILE CD1 C 13 13.843 0.400 . 1 . . . . A 35 ILE CD1 . 34727 2 383 . 1 . 1 38 38 ILE N N 15 123.428 0.400 . 1 . . . . A 35 ILE N . 34727 2 384 . 1 . 1 39 39 GLN H H 1 9.106 0.020 . 1 . . . . A 36 GLN H . 34727 2 385 . 1 . 1 39 39 GLN HA H 1 4.656 0.020 . 1 . . . . A 36 GLN HA . 34727 2 386 . 1 . 1 39 39 GLN HB2 H 1 2.681 0.020 . 2 . . . . A 36 GLN HB2 . 34727 2 387 . 1 . 1 39 39 GLN HB3 H 1 2.303 0.020 . 2 . . . . A 36 GLN HB3 . 34727 2 388 . 1 . 1 39 39 GLN HG2 H 1 2.293 0.020 . 2 . . . . A 36 GLN HG2 . 34727 2 389 . 1 . 1 39 39 GLN HG3 H 1 2.293 0.020 . 2 . . . . A 36 GLN HG3 . 34727 2 390 . 1 . 1 39 39 GLN HE21 H 1 8.765 0.020 . 2 . . . . A 36 GLN HE21 . 34727 2 391 . 1 . 1 39 39 GLN HE22 H 1 7.364 0.020 . 2 . . . . A 36 GLN HE22 . 34727 2 392 . 1 . 1 39 39 GLN CA C 13 53.903 0.400 . 1 . . . . A 36 GLN CA . 34727 2 393 . 1 . 1 39 39 GLN CB C 13 30.875 0.400 . 1 . . . . A 36 GLN CB . 34727 2 394 . 1 . 1 39 39 GLN CG C 13 33.635 0.400 . 1 . . . . A 36 GLN CG . 34727 2 395 . 1 . 1 39 39 GLN N N 15 125.669 0.400 . 1 . . . . A 36 GLN N . 34727 2 396 . 1 . 1 39 39 GLN NE2 N 15 114.830 0.400 . 1 . . . . A 36 GLN NE2 . 34727 2 397 . 1 . 1 40 40 ILE H H 1 9.020 0.020 . 1 . . . . A 37 ILE H . 34727 2 398 . 1 . 1 40 40 ILE HB H 1 1.874 0.020 . 1 . . . . A 37 ILE HB . 34727 2 399 . 1 . 1 40 40 ILE HG12 H 1 0.575 0.020 . 1 . . . . A 37 ILE HG12 . 34727 2 400 . 1 . 1 40 40 ILE HG13 H 1 1.371 0.020 . 1 . . . . A 37 ILE HG13 . 34727 2 401 . 1 . 1 40 40 ILE HG21 H 1 0.714 0.020 . 1 . . . . A 37 ILE HG21 . 34727 2 402 . 1 . 1 40 40 ILE HG22 H 1 0.714 0.020 . 1 . . . . A 37 ILE HG22 . 34727 2 403 . 1 . 1 40 40 ILE HG23 H 1 0.714 0.020 . 1 . . . . A 37 ILE HG23 . 34727 2 404 . 1 . 1 40 40 ILE HD11 H 1 0.626 0.020 . 1 . . . . A 37 ILE HD11 . 34727 2 405 . 1 . 1 40 40 ILE HD12 H 1 0.626 0.020 . 1 . . . . A 37 ILE HD12 . 34727 2 406 . 1 . 1 40 40 ILE HD13 H 1 0.626 0.020 . 1 . . . . A 37 ILE HD13 . 34727 2 407 . 1 . 1 40 40 ILE CB C 13 38.478 0.400 . 1 . . . . A 37 ILE CB . 34727 2 408 . 1 . 1 40 40 ILE CG1 C 13 26.573 0.400 . 1 . . . . A 37 ILE CG1 . 34727 2 409 . 1 . 1 40 40 ILE CG2 C 13 17.912 0.400 . 1 . . . . A 37 ILE CG2 . 34727 2 410 . 1 . 1 40 40 ILE CD1 C 13 13.203 0.400 . 1 . . . . A 37 ILE CD1 . 34727 2 411 . 1 . 1 40 40 ILE N N 15 123.894 0.400 . 1 . . . . A 37 ILE N . 34727 2 412 . 1 . 1 41 41 PRO HA H 1 4.437 0.020 . 1 . . . . A 38 PRO HA . 34727 2 413 . 1 . 1 41 41 PRO HB2 H 1 2.232 0.020 . 1 . . . . A 38 PRO HB2 . 34727 2 414 . 1 . 1 41 41 PRO HB3 H 1 1.608 0.020 . 1 . . . . A 38 PRO HB3 . 34727 2 415 . 1 . 1 41 41 PRO HG2 H 1 2.006 0.020 . 2 . . . . A 38 PRO HG2 . 34727 2 416 . 1 . 1 41 41 PRO HG3 H 1 2.006 0.020 . 2 . . . . A 38 PRO HG3 . 34727 2 417 . 1 . 1 41 41 PRO HD2 H 1 3.934 0.020 . 1 . . . . A 38 PRO HD2 . 34727 2 418 . 1 . 1 41 41 PRO HD3 H 1 3.384 0.020 . 1 . . . . A 38 PRO HD3 . 34727 2 419 . 1 . 1 41 41 PRO CA C 13 58.582 0.400 . 1 . . . . A 38 PRO CA . 34727 2 420 . 1 . 1 41 41 PRO CB C 13 32.721 0.400 . 1 . . . . A 38 PRO CB . 34727 2 421 . 1 . 1 41 41 PRO CG C 13 28.380 0.400 . 1 . . . . A 38 PRO CG . 34727 2 422 . 1 . 1 41 41 PRO CD C 13 50.498 0.400 . 1 . . . . A 38 PRO CD . 34727 2 423 . 1 . 1 42 42 LEU H H 1 8.064 0.020 . 1 . . . . A 39 LEU H . 34727 2 424 . 1 . 1 42 42 LEU HA H 1 4.504 0.020 . 1 . . . . A 39 LEU HA . 34727 2 425 . 1 . 1 42 42 LEU HB2 H 1 1.442 0.020 . 2 . . . . A 39 LEU HB2 . 34727 2 426 . 1 . 1 42 42 LEU HB3 H 1 0.861 0.020 . 2 . . . . A 39 LEU HB3 . 34727 2 427 . 1 . 1 42 42 LEU HG H 1 1.588 0.020 . 1 . . . . A 39 LEU HG . 34727 2 428 . 1 . 1 42 42 LEU HD11 H 1 0.768 0.020 . 2 . . . . A 39 LEU HD11 . 34727 2 429 . 1 . 1 42 42 LEU HD12 H 1 0.768 0.020 . 2 . . . . A 39 LEU HD12 . 34727 2 430 . 1 . 1 42 42 LEU HD13 H 1 0.768 0.020 . 2 . . . . A 39 LEU HD13 . 34727 2 431 . 1 . 1 42 42 LEU HD21 H 1 0.571 0.020 . 2 . . . . A 39 LEU HD21 . 34727 2 432 . 1 . 1 42 42 LEU HD22 H 1 0.571 0.020 . 2 . . . . A 39 LEU HD22 . 34727 2 433 . 1 . 1 42 42 LEU HD23 H 1 0.571 0.020 . 2 . . . . A 39 LEU HD23 . 34727 2 434 . 1 . 1 42 42 LEU CA C 13 53.513 0.400 . 1 . . . . A 39 LEU CA . 34727 2 435 . 1 . 1 42 42 LEU CB C 13 45.196 0.400 . 1 . . . . A 39 LEU CB . 34727 2 436 . 1 . 1 42 42 LEU CG C 13 26.472 0.400 . 1 . . . . A 39 LEU CG . 34727 2 437 . 1 . 1 42 42 LEU CD1 C 13 25.329 0.400 . 1 . . . . A 39 LEU CD1 . 34727 2 438 . 1 . 1 42 42 LEU CD2 C 13 23.102 0.400 . 1 . . . . A 39 LEU CD2 . 34727 2 439 . 1 . 1 42 42 LEU N N 15 121.273 0.400 . 1 . . . . A 39 LEU N . 34727 2 440 . 1 . 1 43 43 ASP H H 1 8.333 0.020 . 1 . . . . A 40 ASP H . 34727 2 441 . 1 . 1 43 43 ASP HA H 1 4.496 0.020 . 1 . . . . A 40 ASP HA . 34727 2 442 . 1 . 1 43 43 ASP HB2 H 1 2.450 0.020 . 1 . . . . A 40 ASP HB2 . 34727 2 443 . 1 . 1 43 43 ASP HB3 H 1 3.371 0.020 . 1 . . . . A 40 ASP HB3 . 34727 2 444 . 1 . 1 43 43 ASP CA C 13 53.416 0.400 . 1 . . . . A 40 ASP CA . 34727 2 445 . 1 . 1 43 43 ASP CB C 13 42.913 0.400 . 1 . . . . A 40 ASP CB . 34727 2 446 . 1 . 1 43 43 ASP N N 15 122.066 0.400 . 1 . . . . A 40 ASP N . 34727 2 447 . 1 . 1 44 44 TYR H H 1 8.677 0.020 . 1 . . . . A 41 TYR H . 34727 2 448 . 1 . 1 44 44 TYR HA H 1 4.134 0.020 . 1 . . . . A 41 TYR HA . 34727 2 449 . 1 . 1 44 44 TYR HB2 H 1 3.173 0.020 . 2 . . . . A 41 TYR HB2 . 34727 2 450 . 1 . 1 44 44 TYR HB3 H 1 2.970 0.020 . 2 . . . . A 41 TYR HB3 . 34727 2 451 . 1 . 1 44 44 TYR HD1 H 1 7.147 0.020 . 1 . . . . A 41 TYR HD1 . 34727 2 452 . 1 . 1 44 44 TYR HD2 H 1 7.147 0.020 . 1 . . . . A 41 TYR HD2 . 34727 2 453 . 1 . 1 44 44 TYR HE1 H 1 6.746 0.020 . 1 . . . . A 41 TYR HE1 . 34727 2 454 . 1 . 1 44 44 TYR HE2 H 1 6.746 0.020 . 1 . . . . A 41 TYR HE2 . 34727 2 455 . 1 . 1 44 44 TYR CA C 13 61.292 0.400 . 1 . . . . A 41 TYR CA . 34727 2 456 . 1 . 1 44 44 TYR CB C 13 38.088 0.400 . 1 . . . . A 41 TYR CB . 34727 2 457 . 1 . 1 44 44 TYR CD1 C 13 132.698 0.400 . 1 . . . . A 41 TYR CD1 . 34727 2 458 . 1 . 1 44 44 TYR CE1 C 13 118.161 0.400 . 1 . . . . A 41 TYR CE1 . 34727 2 459 . 1 . 1 44 44 TYR N N 15 125.720 0.400 . 1 . . . . A 41 TYR N . 34727 2 460 . 1 . 1 45 45 GLU H H 1 8.830 0.020 . 1 . . . . A 42 GLU H . 34727 2 461 . 1 . 1 45 45 GLU HA H 1 4.311 0.020 . 1 . . . . A 42 GLU HA . 34727 2 462 . 1 . 1 45 45 GLU HB2 H 1 2.230 0.020 . 1 . . . . A 42 GLU HB2 . 34727 2 463 . 1 . 1 45 45 GLU HB3 H 1 2.167 0.020 . 1 . . . . A 42 GLU HB3 . 34727 2 464 . 1 . 1 45 45 GLU HG2 H 1 2.223 0.020 . 1 . . . . A 42 GLU HG2 . 34727 2 465 . 1 . 1 45 45 GLU HG3 H 1 2.373 0.020 . 1 . . . . A 42 GLU HG3 . 34727 2 466 . 1 . 1 45 45 GLU CA C 13 58.915 0.400 . 1 . . . . A 42 GLU CA . 34727 2 467 . 1 . 1 45 45 GLU CB C 13 30.242 0.400 . 1 . . . . A 42 GLU CB . 34727 2 468 . 1 . 1 45 45 GLU CG C 13 36.785 0.400 . 1 . . . . A 42 GLU CG . 34727 2 469 . 1 . 1 45 45 GLU N N 15 118.633 0.400 . 1 . . . . A 42 GLU N . 34727 2 470 . 1 . 1 46 46 THR H H 1 7.753 0.020 . 1 . . . . A 43 THR H . 34727 2 471 . 1 . 1 46 46 THR HA H 1 4.320 0.020 . 1 . . . . A 43 THR HA . 34727 2 472 . 1 . 1 46 46 THR HB H 1 4.254 0.020 . 1 . . . . A 43 THR HB . 34727 2 473 . 1 . 1 46 46 THR HG21 H 1 1.193 0.020 . 1 . . . . A 43 THR HG21 . 34727 2 474 . 1 . 1 46 46 THR HG22 H 1 1.193 0.020 . 1 . . . . A 43 THR HG22 . 34727 2 475 . 1 . 1 46 46 THR HG23 H 1 1.193 0.020 . 1 . . . . A 43 THR HG23 . 34727 2 476 . 1 . 1 46 46 THR CA C 13 61.751 0.400 . 1 . . . . A 43 THR CA . 34727 2 477 . 1 . 1 46 46 THR CB C 13 70.578 0.400 . 1 . . . . A 43 THR CB . 34727 2 478 . 1 . 1 46 46 THR CG2 C 13 21.894 0.400 . 1 . . . . A 43 THR CG2 . 34727 2 479 . 1 . 1 46 46 THR N N 15 107.053 0.400 . 1 . . . . A 43 THR N . 34727 2 480 . 1 . 1 47 47 GLU H H 1 8.486 0.020 . 1 . . . . A 44 GLU H . 34727 2 481 . 1 . 1 47 47 GLU HA H 1 3.594 0.020 . 1 . . . . A 44 GLU HA . 34727 2 482 . 1 . 1 47 47 GLU HB2 H 1 2.245 0.020 . 2 . . . . A 44 GLU HB2 . 34727 2 483 . 1 . 1 47 47 GLU HB3 H 1 2.245 0.020 . 2 . . . . A 44 GLU HB3 . 34727 2 484 . 1 . 1 47 47 GLU HG2 H 1 2.122 0.020 . 2 . . . . A 44 GLU HG2 . 34727 2 485 . 1 . 1 47 47 GLU HG3 H 1 2.122 0.020 . 2 . . . . A 44 GLU HG3 . 34727 2 486 . 1 . 1 47 47 GLU CA C 13 58.220 0.400 . 1 . . . . A 44 GLU CA . 34727 2 487 . 1 . 1 47 47 GLU CB C 13 27.353 0.400 . 1 . . . . A 44 GLU CB . 34727 2 488 . 1 . 1 47 47 GLU CG C 13 37.542 0.400 . 1 . . . . A 44 GLU CG . 34727 2 489 . 1 . 1 47 47 GLU N N 15 116.609 0.400 . 1 . . . . A 44 GLU N . 34727 2 490 . 1 . 1 48 48 LYS H H 1 7.708 0.020 . 1 . . . . A 45 LYS H . 34727 2 491 . 1 . 1 48 48 LYS HA H 1 4.704 0.020 . 1 . . . . A 45 LYS HA . 34727 2 492 . 1 . 1 48 48 LYS HB2 H 1 1.817 0.020 . 1 . . . . A 45 LYS HB2 . 34727 2 493 . 1 . 1 48 48 LYS HB3 H 1 1.579 0.020 . 1 . . . . A 45 LYS HB3 . 34727 2 494 . 1 . 1 48 48 LYS HG2 H 1 1.342 0.020 . 1 . . . . A 45 LYS HG2 . 34727 2 495 . 1 . 1 48 48 LYS HG3 H 1 1.412 0.020 . 1 . . . . A 45 LYS HG3 . 34727 2 496 . 1 . 1 48 48 LYS HD2 H 1 1.639 0.020 . 1 . . . . A 45 LYS HD2 . 34727 2 497 . 1 . 1 48 48 LYS HD3 H 1 1.548 0.020 . 1 . . . . A 45 LYS HD3 . 34727 2 498 . 1 . 1 48 48 LYS HE2 H 1 2.961 0.020 . 2 . . . . A 45 LYS HE2 . 34727 2 499 . 1 . 1 48 48 LYS HE3 H 1 2.961 0.020 . 2 . . . . A 45 LYS HE3 . 34727 2 500 . 1 . 1 48 48 LYS CA C 13 54.113 0.400 . 1 . . . . A 45 LYS CA . 34727 2 501 . 1 . 1 48 48 LYS CB C 13 36.370 0.400 . 1 . . . . A 45 LYS CB . 34727 2 502 . 1 . 1 48 48 LYS CG C 13 24.821 0.400 . 1 . . . . A 45 LYS CG . 34727 2 503 . 1 . 1 48 48 LYS CD C 13 29.177 0.400 . 1 . . . . A 45 LYS CD . 34727 2 504 . 1 . 1 48 48 LYS CE C 13 42.537 0.400 . 1 . . . . A 45 LYS CE . 34727 2 505 . 1 . 1 48 48 LYS N N 15 117.313 0.400 . 1 . . . . A 45 LYS N . 34727 2 506 . 1 . 1 49 49 HIS H H 1 7.937 0.020 . 1 . . . . A 46 HIS H . 34727 2 507 . 1 . 1 49 49 HIS HA H 1 4.930 0.020 . 1 . . . . A 46 HIS HA . 34727 2 508 . 1 . 1 49 49 HIS HB2 H 1 3.570 0.020 . 1 . . . . A 46 HIS HB2 . 34727 2 509 . 1 . 1 49 49 HIS HB3 H 1 2.759 0.020 . 1 . . . . A 46 HIS HB3 . 34727 2 510 . 1 . 1 49 49 HIS HD2 H 1 7.123 0.020 . 1 . . . . A 46 HIS HD2 . 34727 2 511 . 1 . 1 49 49 HIS HE1 H 1 7.271 0.020 . 1 . . . . A 46 HIS HE1 . 34727 2 512 . 1 . 1 49 49 HIS CA C 13 55.608 0.400 . 1 . . . . A 46 HIS CA . 34727 2 513 . 1 . 1 49 49 HIS CB C 13 31.196 0.400 . 1 . . . . A 46 HIS CB . 34727 2 514 . 1 . 1 49 49 HIS CD2 C 13 118.821 0.400 . 1 . . . . A 46 HIS CD2 . 34727 2 515 . 1 . 1 49 49 HIS CE1 C 13 139.408 0.400 . 1 . . . . A 46 HIS CE1 . 34727 2 516 . 1 . 1 49 49 HIS N N 15 117.930 0.400 . 1 . . . . A 46 HIS N . 34727 2 517 . 1 . 1 50 50 ARG H H 1 9.226 0.020 . 1 . . . . A 47 ARG H . 34727 2 518 . 1 . 1 50 50 ARG HB2 H 1 2.441 0.020 . 2 . . . . A 47 ARG HB2 . 34727 2 519 . 1 . 1 50 50 ARG HB3 H 1 1.579 0.020 . 2 . . . . A 47 ARG HB3 . 34727 2 520 . 1 . 1 50 50 ARG HG2 H 1 1.606 0.020 . 1 . . . . A 47 ARG HG2 . 34727 2 521 . 1 . 1 50 50 ARG HG3 H 1 1.652 0.020 . 1 . . . . A 47 ARG HG3 . 34727 2 522 . 1 . 1 50 50 ARG HD2 H 1 3.337 0.020 . 2 . . . . A 47 ARG HD2 . 34727 2 523 . 1 . 1 50 50 ARG HD3 H 1 3.170 0.020 . 2 . . . . A 47 ARG HD3 . 34727 2 524 . 1 . 1 50 50 ARG CB C 13 30.668 0.400 . 1 . . . . A 47 ARG CB . 34727 2 525 . 1 . 1 50 50 ARG CG C 13 28.022 0.400 . 1 . . . . A 47 ARG CG . 34727 2 526 . 1 . 1 50 50 ARG CD C 13 43.471 0.400 . 1 . . . . A 47 ARG CD . 34727 2 527 . 1 . 1 50 50 ARG N N 15 120.361 0.400 . 1 . . . . A 47 ARG N . 34727 2 528 . 1 . 1 51 51 GLY H H 1 11.201 0.020 . 1 . . . . A 48 GLY H . 34727 2 529 . 1 . 1 51 51 GLY HA2 H 1 4.042 0.020 . 1 . . . . A 48 GLY HA2 . 34727 2 530 . 1 . 1 51 51 GLY HA3 H 1 4.517 0.020 . 1 . . . . A 48 GLY HA3 . 34727 2 531 . 1 . 1 51 51 GLY CA C 13 45.803 0.400 . 1 . . . . A 48 GLY CA . 34727 2 532 . 1 . 1 51 51 GLY N N 15 113.174 0.400 . 1 . . . . A 48 GLY N . 34727 2 533 . 1 . 1 52 52 PHE H H 1 6.846 0.020 . 1 . . . . A 49 PHE H . 34727 2 534 . 1 . 1 52 52 PHE HA H 1 5.713 0.020 . 1 . . . . A 49 PHE HA . 34727 2 535 . 1 . 1 52 52 PHE HB2 H 1 2.984 0.020 . 1 . . . . A 49 PHE HB2 . 34727 2 536 . 1 . 1 52 52 PHE HB3 H 1 2.570 0.020 . 1 . . . . A 49 PHE HB3 . 34727 2 537 . 1 . 1 52 52 PHE HD1 H 1 6.768 0.020 . 1 . . . . A 49 PHE HD1 . 34727 2 538 . 1 . 1 52 52 PHE HD2 H 1 6.768 0.020 . 1 . . . . A 49 PHE HD2 . 34727 2 539 . 1 . 1 52 52 PHE HE1 H 1 7.271 0.020 . 1 . . . . A 49 PHE HE1 . 34727 2 540 . 1 . 1 52 52 PHE HE2 H 1 7.271 0.020 . 1 . . . . A 49 PHE HE2 . 34727 2 541 . 1 . 1 52 52 PHE HZ H 1 7.120 0.020 . 1 . . . . A 49 PHE HZ . 34727 2 542 . 1 . 1 52 52 PHE CA C 13 54.630 0.400 . 1 . . . . A 49 PHE CA . 34727 2 543 . 1 . 1 52 52 PHE CB C 13 42.282 0.400 . 1 . . . . A 49 PHE CB . 34727 2 544 . 1 . 1 52 52 PHE CD1 C 13 132.830 0.400 . 1 . . . . A 49 PHE CD1 . 34727 2 545 . 1 . 1 52 52 PHE CE1 C 13 130.796 0.400 . 1 . . . . A 49 PHE CE1 . 34727 2 546 . 1 . 1 52 52 PHE CZ C 13 128.335 0.400 . 1 . . . . A 49 PHE CZ . 34727 2 547 . 1 . 1 52 52 PHE N N 15 113.574 0.400 . 1 . . . . A 49 PHE N . 34727 2 548 . 1 . 1 53 53 ALA H H 1 8.525 0.020 . 1 . . . . A 50 ALA H . 34727 2 549 . 1 . 1 53 53 ALA HA H 1 4.267 0.020 . 1 . . . . A 50 ALA HA . 34727 2 550 . 1 . 1 53 53 ALA HB1 H 1 0.899 0.020 . 1 . . . . A 50 ALA HB1 . 34727 2 551 . 1 . 1 53 53 ALA HB2 H 1 0.899 0.020 . 1 . . . . A 50 ALA HB2 . 34727 2 552 . 1 . 1 53 53 ALA HB3 H 1 0.899 0.020 . 1 . . . . A 50 ALA HB3 . 34727 2 553 . 1 . 1 53 53 ALA CA C 13 49.933 0.400 . 1 . . . . A 50 ALA CA . 34727 2 554 . 1 . 1 53 53 ALA CB C 13 25.811 0.400 . 1 . . . . A 50 ALA CB . 34727 2 555 . 1 . 1 53 53 ALA N N 15 119.951 0.400 . 1 . . . . A 50 ALA N . 34727 2 556 . 1 . 1 54 54 PHE H H 1 8.705 0.020 . 1 . . . . A 51 PHE H . 34727 2 557 . 1 . 1 54 54 PHE HA H 1 5.958 0.020 . 1 . . . . A 51 PHE HA . 34727 2 558 . 1 . 1 54 54 PHE HB2 H 1 2.810 0.020 . 1 . . . . A 51 PHE HB2 . 34727 2 559 . 1 . 1 54 54 PHE HB3 H 1 2.608 0.020 . 1 . . . . A 51 PHE HB3 . 34727 2 560 . 1 . 1 54 54 PHE HD1 H 1 7.150 0.020 . 1 . . . . A 51 PHE HD1 . 34727 2 561 . 1 . 1 54 54 PHE HD2 H 1 7.150 0.020 . 1 . . . . A 51 PHE HD2 . 34727 2 562 . 1 . 1 54 54 PHE HE1 H 1 7.418 0.020 . 1 . . . . A 51 PHE HE1 . 34727 2 563 . 1 . 1 54 54 PHE HE2 H 1 7.418 0.020 . 1 . . . . A 51 PHE HE2 . 34727 2 564 . 1 . 1 54 54 PHE CA C 13 55.935 0.400 . 1 . . . . A 51 PHE CA . 34727 2 565 . 1 . 1 54 54 PHE CB C 13 42.485 0.400 . 1 . . . . A 51 PHE CB . 34727 2 566 . 1 . 1 54 54 PHE CD1 C 13 132.432 0.400 . 1 . . . . A 51 PHE CD1 . 34727 2 567 . 1 . 1 54 54 PHE CE1 C 13 130.731 0.400 . 1 . . . . A 51 PHE CE1 . 34727 2 568 . 1 . 1 54 54 PHE N N 15 113.934 0.400 . 1 . . . . A 51 PHE N . 34727 2 569 . 1 . 1 55 55 VAL H H 1 8.568 0.020 . 1 . . . . A 52 VAL H . 34727 2 570 . 1 . 1 55 55 VAL HA H 1 4.329 0.020 . 1 . . . . A 52 VAL HA . 34727 2 571 . 1 . 1 55 55 VAL HB H 1 1.361 0.020 . 1 . . . . A 52 VAL HB . 34727 2 572 . 1 . 1 55 55 VAL HG11 H 1 0.298 0.020 . 2 . . . . A 52 VAL HG11 . 34727 2 573 . 1 . 1 55 55 VAL HG12 H 1 0.298 0.020 . 2 . . . . A 52 VAL HG12 . 34727 2 574 . 1 . 1 55 55 VAL HG13 H 1 0.298 0.020 . 2 . . . . A 52 VAL HG13 . 34727 2 575 . 1 . 1 55 55 VAL HG21 H 1 0.332 0.020 . 2 . . . . A 52 VAL HG21 . 34727 2 576 . 1 . 1 55 55 VAL HG22 H 1 0.332 0.020 . 2 . . . . A 52 VAL HG22 . 34727 2 577 . 1 . 1 55 55 VAL HG23 H 1 0.332 0.020 . 2 . . . . A 52 VAL HG23 . 34727 2 578 . 1 . 1 55 55 VAL CA C 13 61.237 0.400 . 1 . . . . A 52 VAL CA . 34727 2 579 . 1 . 1 55 55 VAL CB C 13 35.218 0.400 . 1 . . . . A 52 VAL CB . 34727 2 580 . 1 . 1 55 55 VAL CG1 C 13 21.096 0.400 . 1 . . . . A 52 VAL CG1 . 34727 2 581 . 1 . 1 55 55 VAL CG2 C 13 20.586 0.400 . 1 . . . . A 52 VAL CG2 . 34727 2 582 . 1 . 1 55 55 VAL N N 15 122.222 0.400 . 1 . . . . A 52 VAL N . 34727 2 583 . 1 . 1 56 56 GLU H H 1 9.128 0.020 . 1 . . . . A 53 GLU H . 34727 2 584 . 1 . 1 56 56 GLU HA H 1 5.255 0.020 . 1 . . . . A 53 GLU HA . 34727 2 585 . 1 . 1 56 56 GLU HB2 H 1 1.677 0.020 . 1 . . . . A 53 GLU HB2 . 34727 2 586 . 1 . 1 56 56 GLU HB3 H 1 2.094 0.020 . 1 . . . . A 53 GLU HB3 . 34727 2 587 . 1 . 1 56 56 GLU HG2 H 1 1.898 0.020 . 1 . . . . A 53 GLU HG2 . 34727 2 588 . 1 . 1 56 56 GLU HG3 H 1 2.083 0.020 . 1 . . . . A 53 GLU HG3 . 34727 2 589 . 1 . 1 56 56 GLU CA C 13 54.362 0.400 . 1 . . . . A 53 GLU CA . 34727 2 590 . 1 . 1 56 56 GLU CB C 13 34.014 0.400 . 1 . . . . A 53 GLU CB . 34727 2 591 . 1 . 1 56 56 GLU CG C 13 36.632 0.400 . 1 . . . . A 53 GLU CG . 34727 2 592 . 1 . 1 56 56 GLU N N 15 129.630 0.400 . 1 . . . . A 53 GLU N . 34727 2 593 . 1 . 1 57 57 PHE H H 1 8.395 0.020 . 1 . . . . A 54 PHE H . 34727 2 594 . 1 . 1 57 57 PHE HA H 1 4.900 0.020 . 1 . . . . A 54 PHE HA . 34727 2 595 . 1 . 1 57 57 PHE HB2 H 1 2.675 0.020 . 1 . . . . A 54 PHE HB2 . 34727 2 596 . 1 . 1 57 57 PHE HB3 H 1 3.793 0.020 . 1 . . . . A 54 PHE HB3 . 34727 2 597 . 1 . 1 57 57 PHE HD1 H 1 7.226 0.020 . 1 . . . . A 54 PHE HD1 . 34727 2 598 . 1 . 1 57 57 PHE HD2 H 1 7.226 0.020 . 1 . . . . A 54 PHE HD2 . 34727 2 599 . 1 . 1 57 57 PHE HE1 H 1 7.646 0.020 . 1 . . . . A 54 PHE HE1 . 34727 2 600 . 1 . 1 57 57 PHE HE2 H 1 7.646 0.020 . 1 . . . . A 54 PHE HE2 . 34727 2 601 . 1 . 1 57 57 PHE CA C 13 58.209 0.400 . 1 . . . . A 54 PHE CA . 34727 2 602 . 1 . 1 57 57 PHE CB C 13 41.655 0.400 . 1 . . . . A 54 PHE CB . 34727 2 603 . 1 . 1 57 57 PHE CD1 C 13 129.617 0.400 . 1 . . . . A 54 PHE CD1 . 34727 2 604 . 1 . 1 57 57 PHE CE1 C 13 129.237 0.400 . 1 . . . . A 54 PHE CE1 . 34727 2 605 . 1 . 1 57 57 PHE N N 15 126.286 0.400 . 1 . . . . A 54 PHE N . 34727 2 606 . 1 . 1 58 58 GLU H H 1 8.183 0.020 . 1 . . . . A 55 GLU H . 34727 2 607 . 1 . 1 58 58 GLU HA H 1 4.012 0.020 . 1 . . . . A 55 GLU HA . 34727 2 608 . 1 . 1 58 58 GLU HB2 H 1 2.342 0.020 . 1 . . . . A 55 GLU HB2 . 34727 2 609 . 1 . 1 58 58 GLU HB3 H 1 2.026 0.020 . 1 . . . . A 55 GLU HB3 . 34727 2 610 . 1 . 1 58 58 GLU HG2 H 1 2.274 0.020 . 2 . . . . A 55 GLU HG2 . 34727 2 611 . 1 . 1 58 58 GLU HG3 H 1 2.274 0.020 . 2 . . . . A 55 GLU HG3 . 34727 2 612 . 1 . 1 58 58 GLU CA C 13 59.953 0.400 . 1 . . . . A 55 GLU CA . 34727 2 613 . 1 . 1 58 58 GLU CB C 13 30.037 0.400 . 1 . . . . A 55 GLU CB . 34727 2 614 . 1 . 1 58 58 GLU CG C 13 36.332 0.400 . 1 . . . . A 55 GLU CG . 34727 2 615 . 1 . 1 58 58 GLU N N 15 121.072 0.400 . 1 . . . . A 55 GLU N . 34727 2 616 . 1 . 1 59 59 LEU H H 1 9.370 0.020 . 1 . . . . A 56 LEU H . 34727 2 617 . 1 . 1 59 59 LEU HA H 1 4.922 0.020 . 1 . . . . A 56 LEU HA . 34727 2 618 . 1 . 1 59 59 LEU HB2 H 1 1.914 0.020 . 1 . . . . A 56 LEU HB2 . 34727 2 619 . 1 . 1 59 59 LEU HB3 H 1 1.696 0.020 . 1 . . . . A 56 LEU HB3 . 34727 2 620 . 1 . 1 59 59 LEU HG H 1 1.786 0.020 . 1 . . . . A 56 LEU HG . 34727 2 621 . 1 . 1 59 59 LEU HD11 H 1 1.105 0.020 . 2 . . . . A 56 LEU HD11 . 34727 2 622 . 1 . 1 59 59 LEU HD12 H 1 1.105 0.020 . 2 . . . . A 56 LEU HD12 . 34727 2 623 . 1 . 1 59 59 LEU HD13 H 1 1.105 0.020 . 2 . . . . A 56 LEU HD13 . 34727 2 624 . 1 . 1 59 59 LEU HD21 H 1 1.033 0.020 . 2 . . . . A 56 LEU HD21 . 34727 2 625 . 1 . 1 59 59 LEU HD22 H 1 1.033 0.020 . 2 . . . . A 56 LEU HD22 . 34727 2 626 . 1 . 1 59 59 LEU HD23 H 1 1.033 0.020 . 2 . . . . A 56 LEU HD23 . 34727 2 627 . 1 . 1 59 59 LEU CA C 13 53.048 0.400 . 1 . . . . A 56 LEU CA . 34727 2 628 . 1 . 1 59 59 LEU CB C 13 43.189 0.400 . 1 . . . . A 56 LEU CB . 34727 2 629 . 1 . 1 59 59 LEU CG C 13 26.991 0.400 . 1 . . . . A 56 LEU CG . 34727 2 630 . 1 . 1 59 59 LEU CD1 C 13 25.347 0.400 . 1 . . . . A 56 LEU CD1 . 34727 2 631 . 1 . 1 59 59 LEU CD2 C 13 23.301 0.400 . 1 . . . . A 56 LEU CD2 . 34727 2 632 . 1 . 1 59 59 LEU N N 15 116.469 0.400 . 1 . . . . A 56 LEU N . 34727 2 633 . 1 . 1 60 60 ALA H H 1 9.083 0.020 . 1 . . . . A 57 ALA H . 34727 2 634 . 1 . 1 60 60 ALA HA H 1 4.042 0.020 . 1 . . . . A 57 ALA HA . 34727 2 635 . 1 . 1 60 60 ALA HB1 H 1 1.472 0.020 . 1 . . . . A 57 ALA HB1 . 34727 2 636 . 1 . 1 60 60 ALA HB2 H 1 1.472 0.020 . 1 . . . . A 57 ALA HB2 . 34727 2 637 . 1 . 1 60 60 ALA HB3 H 1 1.472 0.020 . 1 . . . . A 57 ALA HB3 . 34727 2 638 . 1 . 1 60 60 ALA CA C 13 55.402 0.400 . 1 . . . . A 57 ALA CA . 34727 2 639 . 1 . 1 60 60 ALA CB C 13 18.715 0.400 . 1 . . . . A 57 ALA CB . 34727 2 640 . 1 . 1 60 60 ALA N N 15 127.278 0.400 . 1 . . . . A 57 ALA N . 34727 2 641 . 1 . 1 61 61 GLU H H 1 9.973 0.020 . 1 . . . . A 58 GLU H . 34727 2 642 . 1 . 1 61 61 GLU HA H 1 4.124 0.020 . 1 . . . . A 58 GLU HA . 34727 2 643 . 1 . 1 61 61 GLU HB2 H 1 2.085 0.020 . 2 . . . . A 58 GLU HB2 . 34727 2 644 . 1 . 1 61 61 GLU HB3 H 1 2.085 0.020 . 2 . . . . A 58 GLU HB3 . 34727 2 645 . 1 . 1 61 61 GLU HG2 H 1 2.492 0.020 . 2 . . . . A 58 GLU HG2 . 34727 2 646 . 1 . 1 61 61 GLU HG3 H 1 2.391 0.020 . 2 . . . . A 58 GLU HG3 . 34727 2 647 . 1 . 1 61 61 GLU CA C 13 59.876 0.400 . 1 . . . . A 58 GLU CA . 34727 2 648 . 1 . 1 61 61 GLU CB C 13 28.746 0.400 . 1 . . . . A 58 GLU CB . 34727 2 649 . 1 . 1 61 61 GLU CG C 13 36.795 0.400 . 1 . . . . A 58 GLU CG . 34727 2 650 . 1 . 1 61 61 GLU N N 15 118.354 0.400 . 1 . . . . A 58 GLU N . 34727 2 651 . 1 . 1 62 62 ASP H H 1 6.886 0.020 . 1 . . . . A 59 ASP H . 34727 2 652 . 1 . 1 62 62 ASP HA H 1 4.503 0.020 . 1 . . . . A 59 ASP HA . 34727 2 653 . 1 . 1 62 62 ASP HB2 H 1 2.977 0.020 . 1 . . . . A 59 ASP HB2 . 34727 2 654 . 1 . 1 62 62 ASP HB3 H 1 2.655 0.020 . 1 . . . . A 59 ASP HB3 . 34727 2 655 . 1 . 1 62 62 ASP CA C 13 56.635 0.400 . 1 . . . . A 59 ASP CA . 34727 2 656 . 1 . 1 62 62 ASP CB C 13 40.017 0.400 . 1 . . . . A 59 ASP CB . 34727 2 657 . 1 . 1 62 62 ASP N N 15 123.927 0.400 . 1 . . . . A 59 ASP N . 34727 2 658 . 1 . 1 63 63 ALA H H 1 7.047 0.020 . 1 . . . . A 60 ALA H . 34727 2 659 . 1 . 1 63 63 ALA HA H 1 3.248 0.020 . 1 . . . . A 60 ALA HA . 34727 2 660 . 1 . 1 63 63 ALA HB1 H 1 1.458 0.020 . 1 . . . . A 60 ALA HB1 . 34727 2 661 . 1 . 1 63 63 ALA HB2 H 1 1.458 0.020 . 1 . . . . A 60 ALA HB2 . 34727 2 662 . 1 . 1 63 63 ALA HB3 H 1 1.458 0.020 . 1 . . . . A 60 ALA HB3 . 34727 2 663 . 1 . 1 63 63 ALA CA C 13 54.718 0.400 . 1 . . . . A 60 ALA CA . 34727 2 664 . 1 . 1 63 63 ALA CB C 13 17.346 0.400 . 1 . . . . A 60 ALA CB . 34727 2 665 . 1 . 1 63 63 ALA N N 15 121.744 0.400 . 1 . . . . A 60 ALA N . 34727 2 666 . 1 . 1 64 64 ALA H H 1 7.776 0.020 . 1 . . . . A 61 ALA H . 34727 2 667 . 1 . 1 64 64 ALA HA H 1 3.938 0.020 . 1 . . . . A 61 ALA HA . 34727 2 668 . 1 . 1 64 64 ALA HB1 H 1 1.485 0.020 . 1 . . . . A 61 ALA HB1 . 34727 2 669 . 1 . 1 64 64 ALA HB2 H 1 1.485 0.020 . 1 . . . . A 61 ALA HB2 . 34727 2 670 . 1 . 1 64 64 ALA HB3 H 1 1.485 0.020 . 1 . . . . A 61 ALA HB3 . 34727 2 671 . 1 . 1 64 64 ALA CA C 13 55.134 0.400 . 1 . . . . A 61 ALA CA . 34727 2 672 . 1 . 1 64 64 ALA CB C 13 17.939 0.400 . 1 . . . . A 61 ALA CB . 34727 2 673 . 1 . 1 64 64 ALA N N 15 117.500 0.400 . 1 . . . . A 61 ALA N . 34727 2 674 . 1 . 1 65 65 ALA H H 1 7.376 0.020 . 1 . . . . A 62 ALA H . 34727 2 675 . 1 . 1 65 65 ALA HA H 1 4.159 0.020 . 1 . . . . A 62 ALA HA . 34727 2 676 . 1 . 1 65 65 ALA HB1 H 1 1.692 0.020 . 1 . . . . A 62 ALA HB1 . 34727 2 677 . 1 . 1 65 65 ALA HB2 H 1 1.692 0.020 . 1 . . . . A 62 ALA HB2 . 34727 2 678 . 1 . 1 65 65 ALA HB3 H 1 1.692 0.020 . 1 . . . . A 62 ALA HB3 . 34727 2 679 . 1 . 1 65 65 ALA CA C 13 54.851 0.400 . 1 . . . . A 62 ALA CA . 34727 2 680 . 1 . 1 65 65 ALA CB C 13 18.266 0.400 . 1 . . . . A 62 ALA CB . 34727 2 681 . 1 . 1 65 65 ALA N N 15 121.273 0.400 . 1 . . . . A 62 ALA N . 34727 2 682 . 1 . 1 66 66 ALA H H 1 7.937 0.020 . 1 . . . . A 63 ALA H . 34727 2 683 . 1 . 1 66 66 ALA HA H 1 2.517 0.020 . 1 . . . . A 63 ALA HA . 34727 2 684 . 1 . 1 66 66 ALA HB1 H 1 1.236 0.020 . 1 . . . . A 63 ALA HB1 . 34727 2 685 . 1 . 1 66 66 ALA HB2 H 1 1.236 0.020 . 1 . . . . A 63 ALA HB2 . 34727 2 686 . 1 . 1 66 66 ALA HB3 H 1 1.236 0.020 . 1 . . . . A 63 ALA HB3 . 34727 2 687 . 1 . 1 66 66 ALA CA C 13 54.837 0.400 . 1 . . . . A 63 ALA CA . 34727 2 688 . 1 . 1 66 66 ALA CB C 13 19.130 0.400 . 1 . . . . A 63 ALA CB . 34727 2 689 . 1 . 1 66 66 ALA N N 15 122.034 0.400 . 1 . . . . A 63 ALA N . 34727 2 690 . 1 . 1 67 67 ILE H H 1 7.845 0.020 . 1 . . . . A 64 ILE H . 34727 2 691 . 1 . 1 67 67 ILE HA H 1 3.283 0.020 . 1 . . . . A 64 ILE HA . 34727 2 692 . 1 . 1 67 67 ILE HB H 1 1.896 0.020 . 1 . . . . A 64 ILE HB . 34727 2 693 . 1 . 1 67 67 ILE HG12 H 1 1.930 0.020 . 2 . . . . A 64 ILE HG12 . 34727 2 694 . 1 . 1 67 67 ILE HG13 H 1 0.571 0.020 . 2 . . . . A 64 ILE HG13 . 34727 2 695 . 1 . 1 67 67 ILE HG21 H 1 0.990 0.020 . 1 . . . . A 64 ILE HG21 . 34727 2 696 . 1 . 1 67 67 ILE HG22 H 1 0.990 0.020 . 1 . . . . A 64 ILE HG22 . 34727 2 697 . 1 . 1 67 67 ILE HG23 H 1 0.990 0.020 . 1 . . . . A 64 ILE HG23 . 34727 2 698 . 1 . 1 67 67 ILE HD11 H 1 0.861 0.020 . 1 . . . . A 64 ILE HD11 . 34727 2 699 . 1 . 1 67 67 ILE HD12 H 1 0.861 0.020 . 1 . . . . A 64 ILE HD12 . 34727 2 700 . 1 . 1 67 67 ILE HD13 H 1 0.861 0.020 . 1 . . . . A 64 ILE HD13 . 34727 2 701 . 1 . 1 67 67 ILE CA C 13 66.717 0.400 . 1 . . . . A 64 ILE CA . 34727 2 702 . 1 . 1 67 67 ILE CB C 13 38.543 0.400 . 1 . . . . A 64 ILE CB . 34727 2 703 . 1 . 1 67 67 ILE CG1 C 13 30.371 0.400 . 1 . . . . A 64 ILE CG1 . 34727 2 704 . 1 . 1 67 67 ILE CG2 C 13 17.456 0.400 . 1 . . . . A 64 ILE CG2 . 34727 2 705 . 1 . 1 67 67 ILE CD1 C 13 14.291 0.400 . 1 . . . . A 64 ILE CD1 . 34727 2 706 . 1 . 1 67 67 ILE N N 15 118.587 0.400 . 1 . . . . A 64 ILE N . 34727 2 707 . 1 . 1 68 68 ASP H H 1 7.425 0.020 . 1 . . . . A 65 ASP H . 34727 2 708 . 1 . 1 68 68 ASP HA H 1 4.349 0.020 . 1 . . . . A 65 ASP HA . 34727 2 709 . 1 . 1 68 68 ASP HB2 H 1 2.669 0.020 . 2 . . . . A 65 ASP HB2 . 34727 2 710 . 1 . 1 68 68 ASP HB3 H 1 2.669 0.020 . 2 . . . . A 65 ASP HB3 . 34727 2 711 . 1 . 1 68 68 ASP CA C 13 57.228 0.400 . 1 . . . . A 65 ASP CA . 34727 2 712 . 1 . 1 68 68 ASP CB C 13 41.012 0.400 . 1 . . . . A 65 ASP CB . 34727 2 713 . 1 . 1 68 68 ASP N N 15 116.593 0.400 . 1 . . . . A 65 ASP N . 34727 2 714 . 1 . 1 69 69 ASN H H 1 7.443 0.020 . 1 . . . . A 66 ASN H . 34727 2 715 . 1 . 1 69 69 ASN HA H 1 4.671 0.020 . 1 . . . . A 66 ASN HA . 34727 2 716 . 1 . 1 69 69 ASN HB2 H 1 2.369 0.020 . 1 . . . . A 66 ASN HB2 . 34727 2 717 . 1 . 1 69 69 ASN HB3 H 1 2.600 0.020 . 1 . . . . A 66 ASN HB3 . 34727 2 718 . 1 . 1 69 69 ASN HD21 H 1 7.501 0.020 . 1 . . . . A 66 ASN HD21 . 34727 2 719 . 1 . 1 69 69 ASN CA C 13 55.501 0.400 . 1 . . . . A 66 ASN CA . 34727 2 720 . 1 . 1 69 69 ASN CB C 13 42.533 0.400 . 1 . . . . A 66 ASN CB . 34727 2 721 . 1 . 1 69 69 ASN N N 15 112.740 0.400 . 1 . . . . A 66 ASN N . 34727 2 722 . 1 . 1 69 69 ASN ND2 N 15 115.339 0.400 . 1 . . . . A 66 ASN ND2 . 34727 2 723 . 1 . 1 70 70 MET H H 1 8.292 0.020 . 1 . . . . A 67 MET H . 34727 2 724 . 1 . 1 70 70 MET HA H 1 4.920 0.020 . 1 . . . . A 67 MET HA . 34727 2 725 . 1 . 1 70 70 MET HB2 H 1 1.753 0.020 . 1 . . . . A 67 MET HB2 . 34727 2 726 . 1 . 1 70 70 MET HB3 H 1 2.157 0.020 . 1 . . . . A 67 MET HB3 . 34727 2 727 . 1 . 1 70 70 MET HG2 H 1 1.884 0.020 . 1 . . . . A 67 MET HG2 . 34727 2 728 . 1 . 1 70 70 MET HG3 H 1 2.048 0.020 . 1 . . . . A 67 MET HG3 . 34727 2 729 . 1 . 1 70 70 MET HE1 H 1 1.435 0.020 . 1 . . . . A 67 MET HE1 . 34727 2 730 . 1 . 1 70 70 MET HE2 H 1 1.435 0.020 . 1 . . . . A 67 MET HE2 . 34727 2 731 . 1 . 1 70 70 MET HE3 H 1 1.435 0.020 . 1 . . . . A 67 MET HE3 . 34727 2 732 . 1 . 1 70 70 MET CA C 13 53.844 0.400 . 1 . . . . A 67 MET CA . 34727 2 733 . 1 . 1 70 70 MET CB C 13 33.049 0.400 . 1 . . . . A 67 MET CB . 34727 2 734 . 1 . 1 70 70 MET CG C 13 33.583 0.400 . 1 . . . . A 67 MET CG . 34727 2 735 . 1 . 1 70 70 MET CE C 13 16.763 0.400 . 1 . . . . A 67 MET CE . 34727 2 736 . 1 . 1 70 70 MET N N 15 113.697 0.400 . 1 . . . . A 67 MET N . 34727 2 737 . 1 . 1 71 71 ASN H H 1 8.222 0.020 . 1 . . . . A 68 ASN H . 34727 2 738 . 1 . 1 71 71 ASN HA H 1 4.436 0.020 . 1 . . . . A 68 ASN HA . 34727 2 739 . 1 . 1 71 71 ASN HB2 H 1 3.321 0.020 . 1 . . . . A 68 ASN HB2 . 34727 2 740 . 1 . 1 71 71 ASN HB3 H 1 3.024 0.020 . 1 . . . . A 68 ASN HB3 . 34727 2 741 . 1 . 1 71 71 ASN HD21 H 1 7.135 0.020 . 1 . . . . A 68 ASN HD21 . 34727 2 742 . 1 . 1 71 71 ASN HD22 H 1 7.964 0.020 . 1 . . . . A 68 ASN HD22 . 34727 2 743 . 1 . 1 71 71 ASN CA C 13 57.029 0.400 . 1 . . . . A 68 ASN CA . 34727 2 744 . 1 . 1 71 71 ASN CB C 13 38.897 0.400 . 1 . . . . A 68 ASN CB . 34727 2 745 . 1 . 1 71 71 ASN N N 15 119.547 0.400 . 1 . . . . A 68 ASN N . 34727 2 746 . 1 . 1 71 71 ASN ND2 N 15 116.134 0.400 . 1 . . . . A 68 ASN ND2 . 34727 2 747 . 1 . 1 72 72 GLU H H 1 8.672 0.020 . 1 . . . . A 69 GLU H . 34727 2 748 . 1 . 1 72 72 GLU HA H 1 4.026 0.020 . 1 . . . . A 69 GLU HA . 34727 2 749 . 1 . 1 72 72 GLU HB2 H 1 2.378 0.020 . 2 . . . . A 69 GLU HB2 . 34727 2 750 . 1 . 1 72 72 GLU HB3 H 1 2.266 0.020 . 2 . . . . A 69 GLU HB3 . 34727 2 751 . 1 . 1 72 72 GLU HG2 H 1 2.333 0.020 . 2 . . . . A 69 GLU HG2 . 34727 2 752 . 1 . 1 72 72 GLU HG3 H 1 2.203 0.020 . 2 . . . . A 69 GLU HG3 . 34727 2 753 . 1 . 1 72 72 GLU CA C 13 59.031 0.400 . 1 . . . . A 69 GLU CA . 34727 2 754 . 1 . 1 72 72 GLU CB C 13 26.777 0.400 . 1 . . . . A 69 GLU CB . 34727 2 755 . 1 . 1 72 72 GLU CG C 13 37.271 0.400 . 1 . . . . A 69 GLU CG . 34727 2 756 . 1 . 1 72 72 GLU N N 15 121.426 0.400 . 1 . . . . A 69 GLU N . 34727 2 757 . 1 . 1 73 73 SER H H 1 7.701 0.020 . 1 . . . . A 70 SER H . 34727 2 758 . 1 . 1 73 73 SER HA H 1 4.659 0.020 . 1 . . . . A 70 SER HA . 34727 2 759 . 1 . 1 73 73 SER HB2 H 1 4.129 0.020 . 2 . . . . A 70 SER HB2 . 34727 2 760 . 1 . 1 73 73 SER HB3 H 1 3.888 0.020 . 2 . . . . A 70 SER HB3 . 34727 2 761 . 1 . 1 73 73 SER CA C 13 58.142 0.400 . 1 . . . . A 70 SER CA . 34727 2 762 . 1 . 1 73 73 SER CB C 13 65.115 0.400 . 1 . . . . A 70 SER CB . 34727 2 763 . 1 . 1 73 73 SER N N 15 114.993 0.400 . 1 . . . . A 70 SER N . 34727 2 764 . 1 . 1 74 74 GLU H H 1 8.293 0.020 . 1 . . . . A 71 GLU H . 34727 2 765 . 1 . 1 74 74 GLU HA H 1 5.050 0.020 . 1 . . . . A 71 GLU HA . 34727 2 766 . 1 . 1 74 74 GLU HB2 H 1 1.842 0.020 . 1 . . . . A 71 GLU HB2 . 34727 2 767 . 1 . 1 74 74 GLU HB3 H 1 1.885 0.020 . 1 . . . . A 71 GLU HB3 . 34727 2 768 . 1 . 1 74 74 GLU HG2 H 1 1.955 0.020 . 1 . . . . A 71 GLU HG2 . 34727 2 769 . 1 . 1 74 74 GLU HG3 H 1 2.134 0.020 . 1 . . . . A 71 GLU HG3 . 34727 2 770 . 1 . 1 74 74 GLU CA C 13 55.449 0.400 . 1 . . . . A 71 GLU CA . 34727 2 771 . 1 . 1 74 74 GLU CB C 13 32.131 0.400 . 1 . . . . A 71 GLU CB . 34727 2 772 . 1 . 1 74 74 GLU CG C 13 36.772 0.400 . 1 . . . . A 71 GLU CG . 34727 2 773 . 1 . 1 74 74 GLU N N 15 117.814 0.400 . 1 . . . . A 71 GLU N . 34727 2 774 . 1 . 1 75 75 LEU H H 1 9.063 0.020 . 1 . . . . A 72 LEU H . 34727 2 775 . 1 . 1 75 75 LEU HA H 1 4.638 0.020 . 1 . . . . A 72 LEU HA . 34727 2 776 . 1 . 1 75 75 LEU HB2 H 1 1.793 0.020 . 1 . . . . A 72 LEU HB2 . 34727 2 777 . 1 . 1 75 75 LEU HB3 H 1 1.417 0.020 . 1 . . . . A 72 LEU HB3 . 34727 2 778 . 1 . 1 75 75 LEU HG H 1 1.771 0.020 . 1 . . . . A 72 LEU HG . 34727 2 779 . 1 . 1 75 75 LEU HD11 H 1 0.896 0.020 . 2 . . . . A 72 LEU HD11 . 34727 2 780 . 1 . 1 75 75 LEU HD12 H 1 0.896 0.020 . 2 . . . . A 72 LEU HD12 . 34727 2 781 . 1 . 1 75 75 LEU HD13 H 1 0.896 0.020 . 2 . . . . A 72 LEU HD13 . 34727 2 782 . 1 . 1 75 75 LEU HD21 H 1 0.767 0.020 . 2 . . . . A 72 LEU HD21 . 34727 2 783 . 1 . 1 75 75 LEU HD22 H 1 0.767 0.020 . 2 . . . . A 72 LEU HD22 . 34727 2 784 . 1 . 1 75 75 LEU HD23 H 1 0.767 0.020 . 2 . . . . A 72 LEU HD23 . 34727 2 785 . 1 . 1 75 75 LEU CA C 13 54.734 0.400 . 1 . . . . A 72 LEU CA . 34727 2 786 . 1 . 1 75 75 LEU CB C 13 45.162 0.400 . 1 . . . . A 72 LEU CB . 34727 2 787 . 1 . 1 75 75 LEU CG C 13 26.788 0.400 . 1 . . . . A 72 LEU CG . 34727 2 788 . 1 . 1 75 75 LEU CD1 C 13 23.732 0.400 . 1 . . . . A 72 LEU CD1 . 34727 2 789 . 1 . 1 75 75 LEU CD2 C 13 25.229 0.400 . 1 . . . . A 72 LEU CD2 . 34727 2 790 . 1 . 1 75 75 LEU N N 15 126.638 0.400 . 1 . . . . A 72 LEU N . 34727 2 791 . 1 . 1 76 76 PHE H H 1 9.827 0.020 . 1 . . . . A 73 PHE H . 34727 2 792 . 1 . 1 76 76 PHE HA H 1 4.002 0.020 . 1 . . . . A 73 PHE HA . 34727 2 793 . 1 . 1 76 76 PHE HB2 H 1 2.787 0.020 . 1 . . . . A 73 PHE HB2 . 34727 2 794 . 1 . 1 76 76 PHE HB3 H 1 3.560 0.020 . 1 . . . . A 73 PHE HB3 . 34727 2 795 . 1 . 1 76 76 PHE HD1 H 1 7.171 0.020 . 1 . . . . A 73 PHE HD1 . 34727 2 796 . 1 . 1 76 76 PHE HD2 H 1 7.171 0.020 . 1 . . . . A 73 PHE HD2 . 34727 2 797 . 1 . 1 76 76 PHE HE1 H 1 7.335 0.020 . 1 . . . . A 73 PHE HE1 . 34727 2 798 . 1 . 1 76 76 PHE HE2 H 1 7.335 0.020 . 1 . . . . A 73 PHE HE2 . 34727 2 799 . 1 . 1 76 76 PHE CA C 13 59.557 0.400 . 1 . . . . A 73 PHE CA . 34727 2 800 . 1 . 1 76 76 PHE CB C 13 37.225 0.400 . 1 . . . . A 73 PHE CB . 34727 2 801 . 1 . 1 76 76 PHE CD1 C 13 131.042 0.400 . 1 . . . . A 73 PHE CD1 . 34727 2 802 . 1 . 1 76 76 PHE CE1 C 13 131.639 0.400 . 1 . . . . A 73 PHE CE1 . 34727 2 803 . 1 . 1 76 76 PHE N N 15 128.806 0.400 . 1 . . . . A 73 PHE N . 34727 2 804 . 1 . 1 77 77 GLY H H 1 8.717 0.020 . 1 . . . . A 74 GLY H . 34727 2 805 . 1 . 1 77 77 GLY HA2 H 1 3.710 0.020 . 1 . . . . A 74 GLY HA2 . 34727 2 806 . 1 . 1 77 77 GLY HA3 H 1 4.117 0.020 . 1 . . . . A 74 GLY HA3 . 34727 2 807 . 1 . 1 77 77 GLY CA C 13 45.887 0.400 . 1 . . . . A 74 GLY CA . 34727 2 808 . 1 . 1 77 77 GLY N N 15 102.139 0.400 . 1 . . . . A 74 GLY N . 34727 2 809 . 1 . 1 78 78 ARG H H 1 7.615 0.020 . 1 . . . . A 75 ARG H . 34727 2 810 . 1 . 1 78 78 ARG HA H 1 4.850 0.020 . 1 . . . . A 75 ARG HA . 34727 2 811 . 1 . 1 78 78 ARG HB2 H 1 2.131 0.020 . 2 . . . . A 75 ARG HB2 . 34727 2 812 . 1 . 1 78 78 ARG HB3 H 1 1.890 0.020 . 2 . . . . A 75 ARG HB3 . 34727 2 813 . 1 . 1 78 78 ARG HG2 H 1 1.771 0.020 . 2 . . . . A 75 ARG HG2 . 34727 2 814 . 1 . 1 78 78 ARG HG3 H 1 1.771 0.020 . 2 . . . . A 75 ARG HG3 . 34727 2 815 . 1 . 1 78 78 ARG HD2 H 1 3.231 0.020 . 2 . . . . A 75 ARG HD2 . 34727 2 816 . 1 . 1 78 78 ARG HD3 H 1 3.231 0.020 . 2 . . . . A 75 ARG HD3 . 34727 2 817 . 1 . 1 78 78 ARG CA C 13 53.821 0.400 . 1 . . . . A 75 ARG CA . 34727 2 818 . 1 . 1 78 78 ARG CB C 13 33.171 0.400 . 1 . . . . A 75 ARG CB . 34727 2 819 . 1 . 1 78 78 ARG CG C 13 26.788 0.400 . 1 . . . . A 75 ARG CG . 34727 2 820 . 1 . 1 78 78 ARG CD C 13 43.224 0.400 . 1 . . . . A 75 ARG CD . 34727 2 821 . 1 . 1 78 78 ARG N N 15 119.078 0.400 . 1 . . . . A 75 ARG N . 34727 2 822 . 1 . 1 79 79 THR H H 1 8.403 0.020 . 1 . . . . A 76 THR H . 34727 2 823 . 1 . 1 79 79 THR HA H 1 4.664 0.020 . 1 . . . . A 76 THR HA . 34727 2 824 . 1 . 1 79 79 THR HB H 1 3.951 0.020 . 1 . . . . A 76 THR HB . 34727 2 825 . 1 . 1 79 79 THR HG21 H 1 1.170 0.020 . 1 . . . . A 76 THR HG21 . 34727 2 826 . 1 . 1 79 79 THR HG22 H 1 1.170 0.020 . 1 . . . . A 76 THR HG22 . 34727 2 827 . 1 . 1 79 79 THR HG23 H 1 1.170 0.020 . 1 . . . . A 76 THR HG23 . 34727 2 828 . 1 . 1 79 79 THR CA C 13 63.127 0.400 . 1 . . . . A 76 THR CA . 34727 2 829 . 1 . 1 79 79 THR CB C 13 69.556 0.400 . 1 . . . . A 76 THR CB . 34727 2 830 . 1 . 1 79 79 THR CG2 C 13 22.061 0.400 . 1 . . . . A 76 THR CG2 . 34727 2 831 . 1 . 1 79 79 THR N N 15 118.781 0.400 . 1 . . . . A 76 THR N . 34727 2 832 . 1 . 1 80 80 ILE H H 1 8.833 0.020 . 1 . . . . A 77 ILE H . 34727 2 833 . 1 . 1 80 80 ILE HA H 1 5.188 0.020 . 1 . . . . A 77 ILE HA . 34727 2 834 . 1 . 1 80 80 ILE HB H 1 2.005 0.020 . 1 . . . . A 77 ILE HB . 34727 2 835 . 1 . 1 80 80 ILE HG21 H 1 0.889 0.020 . 1 . . . . A 77 ILE HG21 . 34727 2 836 . 1 . 1 80 80 ILE HG22 H 1 0.889 0.020 . 1 . . . . A 77 ILE HG22 . 34727 2 837 . 1 . 1 80 80 ILE HG23 H 1 0.889 0.020 . 1 . . . . A 77 ILE HG23 . 34727 2 838 . 1 . 1 80 80 ILE HD11 H 1 0.701 0.020 . 1 . . . . A 77 ILE HD11 . 34727 2 839 . 1 . 1 80 80 ILE HD12 H 1 0.701 0.020 . 1 . . . . A 77 ILE HD12 . 34727 2 840 . 1 . 1 80 80 ILE HD13 H 1 0.701 0.020 . 1 . . . . A 77 ILE HD13 . 34727 2 841 . 1 . 1 80 80 ILE CA C 13 60.097 0.400 . 1 . . . . A 77 ILE CA . 34727 2 842 . 1 . 1 80 80 ILE CB C 13 40.744 0.400 . 1 . . . . A 77 ILE CB . 34727 2 843 . 1 . 1 80 80 ILE CG2 C 13 19.140 0.400 . 1 . . . . A 77 ILE CG2 . 34727 2 844 . 1 . 1 80 80 ILE CD1 C 13 14.377 0.400 . 1 . . . . A 77 ILE CD1 . 34727 2 845 . 1 . 1 80 80 ILE N N 15 121.610 0.400 . 1 . . . . A 77 ILE N . 34727 2 846 . 1 . 1 81 81 ARG H H 1 8.242 0.020 . 1 . . . . A 78 ARG H . 34727 2 847 . 1 . 1 81 81 ARG HA H 1 5.062 0.020 . 1 . . . . A 78 ARG HA . 34727 2 848 . 1 . 1 81 81 ARG HB2 H 1 1.884 0.020 . 1 . . . . A 78 ARG HB2 . 34727 2 849 . 1 . 1 81 81 ARG HB3 H 1 1.743 0.020 . 1 . . . . A 78 ARG HB3 . 34727 2 850 . 1 . 1 81 81 ARG HG2 H 1 1.700 0.020 . 1 . . . . A 78 ARG HG2 . 34727 2 851 . 1 . 1 81 81 ARG HG3 H 1 1.740 0.020 . 1 . . . . A 78 ARG HG3 . 34727 2 852 . 1 . 1 81 81 ARG HD2 H 1 3.341 0.020 . 1 . . . . A 78 ARG HD2 . 34727 2 853 . 1 . 1 81 81 ARG HD3 H 1 3.305 0.020 . 1 . . . . A 78 ARG HD3 . 34727 2 854 . 1 . 1 81 81 ARG CA C 13 53.728 0.400 . 1 . . . . A 78 ARG CA . 34727 2 855 . 1 . 1 81 81 ARG CB C 13 32.590 0.400 . 1 . . . . A 78 ARG CB . 34727 2 856 . 1 . 1 81 81 ARG CG C 13 27.291 0.400 . 1 . . . . A 78 ARG CG . 34727 2 857 . 1 . 1 81 81 ARG CD C 13 43.093 0.400 . 1 . . . . A 78 ARG CD . 34727 2 858 . 1 . 1 81 81 ARG N N 15 122.029 0.400 . 1 . . . . A 78 ARG N . 34727 2 859 . 1 . 1 82 82 VAL H H 1 8.995 0.020 . 1 . . . . A 79 VAL H . 34727 2 860 . 1 . 1 82 82 VAL HA H 1 5.505 0.020 . 1 . . . . A 79 VAL HA . 34727 2 861 . 1 . 1 82 82 VAL HB H 1 1.857 0.020 . 1 . . . . A 79 VAL HB . 34727 2 862 . 1 . 1 82 82 VAL HG11 H 1 1.069 0.020 . 2 . . . . A 79 VAL HG11 . 34727 2 863 . 1 . 1 82 82 VAL HG12 H 1 1.069 0.020 . 2 . . . . A 79 VAL HG12 . 34727 2 864 . 1 . 1 82 82 VAL HG13 H 1 1.069 0.020 . 2 . . . . A 79 VAL HG13 . 34727 2 865 . 1 . 1 82 82 VAL HG21 H 1 1.092 0.020 . 2 . . . . A 79 VAL HG21 . 34727 2 866 . 1 . 1 82 82 VAL HG22 H 1 1.092 0.020 . 2 . . . . A 79 VAL HG22 . 34727 2 867 . 1 . 1 82 82 VAL HG23 H 1 1.092 0.020 . 2 . . . . A 79 VAL HG23 . 34727 2 868 . 1 . 1 82 82 VAL CA C 13 60.376 0.400 . 1 . . . . A 79 VAL CA . 34727 2 869 . 1 . 1 82 82 VAL CB C 13 35.452 0.400 . 1 . . . . A 79 VAL CB . 34727 2 870 . 1 . 1 82 82 VAL CG1 C 13 24.464 0.400 . 1 . . . . A 79 VAL CG1 . 34727 2 871 . 1 . 1 82 82 VAL CG2 C 13 22.617 0.400 . 1 . . . . A 79 VAL CG2 . 34727 2 872 . 1 . 1 82 82 VAL N N 15 122.983 0.400 . 1 . . . . A 79 VAL N . 34727 2 873 . 1 . 1 83 83 ASN H H 1 8.961 0.020 . 1 . . . . A 80 ASN H . 34727 2 874 . 1 . 1 83 83 ASN HA H 1 4.846 0.020 . 1 . . . . A 80 ASN HA . 34727 2 875 . 1 . 1 83 83 ASN HB2 H 1 3.009 0.020 . 1 . . . . A 80 ASN HB2 . 34727 2 876 . 1 . 1 83 83 ASN HB3 H 1 2.842 0.020 . 1 . . . . A 80 ASN HB3 . 34727 2 877 . 1 . 1 83 83 ASN HD21 H 1 7.171 0.020 . 2 . . . . A 80 ASN HD21 . 34727 2 878 . 1 . 1 83 83 ASN HD22 H 1 6.529 0.020 . 2 . . . . A 80 ASN HD22 . 34727 2 879 . 1 . 1 83 83 ASN CA C 13 52.053 0.400 . 1 . . . . A 80 ASN CA . 34727 2 880 . 1 . 1 83 83 ASN CB C 13 42.474 0.400 . 1 . . . . A 80 ASN CB . 34727 2 881 . 1 . 1 83 83 ASN N N 15 120.171 0.400 . 1 . . . . A 80 ASN N . 34727 2 882 . 1 . 1 83 83 ASN ND2 N 15 111.135 0.400 . 1 . . . . A 80 ASN ND2 . 34727 2 883 . 1 . 1 84 84 LEU H H 1 8.925 0.020 . 1 . . . . A 81 LEU H . 34727 2 884 . 1 . 1 84 84 LEU HA H 1 4.478 0.020 . 1 . . . . A 81 LEU HA . 34727 2 885 . 1 . 1 84 84 LEU HB2 H 1 1.567 0.020 . 1 . . . . A 81 LEU HB2 . 34727 2 886 . 1 . 1 84 84 LEU HB3 H 1 1.695 0.020 . 1 . . . . A 81 LEU HB3 . 34727 2 887 . 1 . 1 84 84 LEU HG H 1 1.698 0.020 . 1 . . . . A 81 LEU HG . 34727 2 888 . 1 . 1 84 84 LEU HD11 H 1 0.823 0.020 . 2 . . . . A 81 LEU HD11 . 34727 2 889 . 1 . 1 84 84 LEU HD12 H 1 0.823 0.020 . 2 . . . . A 81 LEU HD12 . 34727 2 890 . 1 . 1 84 84 LEU HD13 H 1 0.823 0.020 . 2 . . . . A 81 LEU HD13 . 34727 2 891 . 1 . 1 84 84 LEU HD21 H 1 0.981 0.020 . 2 . . . . A 81 LEU HD21 . 34727 2 892 . 1 . 1 84 84 LEU HD22 H 1 0.981 0.020 . 2 . . . . A 81 LEU HD22 . 34727 2 893 . 1 . 1 84 84 LEU HD23 H 1 0.981 0.020 . 2 . . . . A 81 LEU HD23 . 34727 2 894 . 1 . 1 84 84 LEU CA C 13 56.477 0.400 . 1 . . . . A 81 LEU CA . 34727 2 895 . 1 . 1 84 84 LEU CB C 13 42.218 0.400 . 1 . . . . A 81 LEU CB . 34727 2 896 . 1 . 1 84 84 LEU CG C 13 26.883 0.400 . 1 . . . . A 81 LEU CG . 34727 2 897 . 1 . 1 84 84 LEU CD1 C 13 23.273 0.400 . 1 . . . . A 81 LEU CD1 . 34727 2 898 . 1 . 1 84 84 LEU CD2 C 13 25.346 0.400 . 1 . . . . A 81 LEU CD2 . 34727 2 899 . 1 . 1 84 84 LEU N N 15 121.815 0.400 . 1 . . . . A 81 LEU N . 34727 2 900 . 1 . 1 85 85 ALA H H 1 8.959 0.020 . 1 . . . . A 82 ALA H . 34727 2 901 . 1 . 1 85 85 ALA HA H 1 4.408 0.020 . 1 . . . . A 82 ALA HA . 34727 2 902 . 1 . 1 85 85 ALA HB1 H 1 1.478 0.020 . 1 . . . . A 82 ALA HB1 . 34727 2 903 . 1 . 1 85 85 ALA HB2 H 1 1.478 0.020 . 1 . . . . A 82 ALA HB2 . 34727 2 904 . 1 . 1 85 85 ALA HB3 H 1 1.478 0.020 . 1 . . . . A 82 ALA HB3 . 34727 2 905 . 1 . 1 85 85 ALA CA C 13 52.947 0.400 . 1 . . . . A 82 ALA CA . 34727 2 906 . 1 . 1 85 85 ALA CB C 13 20.464 0.400 . 1 . . . . A 82 ALA CB . 34727 2 907 . 1 . 1 85 85 ALA N N 15 126.967 0.400 . 1 . . . . A 82 ALA N . 34727 2 908 . 1 . 1 86 86 LYS H H 1 8.382 0.020 . 1 . . . . A 83 LYS H . 34727 2 909 . 1 . 1 86 86 LYS HG2 H 1 1.292 0.020 . 2 . . . . A 83 LYS HG2 . 34727 2 910 . 1 . 1 86 86 LYS HG3 H 1 1.243 0.020 . 2 . . . . A 83 LYS HG3 . 34727 2 911 . 1 . 1 86 86 LYS HD2 H 1 1.413 0.020 . 2 . . . . A 83 LYS HD2 . 34727 2 912 . 1 . 1 86 86 LYS HD3 H 1 1.413 0.020 . 2 . . . . A 83 LYS HD3 . 34727 2 913 . 1 . 1 86 86 LYS CG C 13 24.794 0.400 . 1 . . . . A 83 LYS CG . 34727 2 914 . 1 . 1 86 86 LYS CD C 13 29.201 0.400 . 1 . . . . A 83 LYS CD . 34727 2 915 . 1 . 1 86 86 LYS N N 15 119.987 0.400 . 1 . . . . A 83 LYS N . 34727 2 916 . 1 . 1 87 87 PRO HG2 H 1 2.022 0.020 . 2 . . . . A 84 PRO HG2 . 34727 2 917 . 1 . 1 87 87 PRO HG3 H 1 1.967 0.020 . 2 . . . . A 84 PRO HG3 . 34727 2 918 . 1 . 1 87 87 PRO HD2 H 1 3.640 0.020 . 1 . . . . A 84 PRO HD2 . 34727 2 919 . 1 . 1 87 87 PRO HD3 H 1 3.757 0.020 . 1 . . . . A 84 PRO HD3 . 34727 2 920 . 1 . 1 87 87 PRO CG C 13 27.381 0.400 . 1 . . . . A 84 PRO CG . 34727 2 921 . 1 . 1 87 87 PRO CD C 13 50.499 0.400 . 1 . . . . A 84 PRO CD . 34727 2 922 . 1 . 1 88 88 MET HB2 H 1 2.628 0.020 . 2 . . . . A 85 MET HB2 . 34727 2 923 . 1 . 1 88 88 MET HB3 H 1 2.412 0.020 . 2 . . . . A 85 MET HB3 . 34727 2 924 . 1 . 1 88 88 MET HG2 H 1 1.793 0.020 . 2 . . . . A 85 MET HG2 . 34727 2 925 . 1 . 1 88 88 MET HG3 H 1 1.637 0.020 . 2 . . . . A 85 MET HG3 . 34727 2 926 . 1 . 1 88 88 MET HE1 H 1 1.787 0.020 . 1 . . . . A 85 MET HE1 . 34727 2 927 . 1 . 1 88 88 MET HE2 H 1 1.787 0.020 . 1 . . . . A 85 MET HE2 . 34727 2 928 . 1 . 1 88 88 MET HE3 H 1 1.787 0.020 . 1 . . . . A 85 MET HE3 . 34727 2 929 . 1 . 1 88 88 MET CB C 13 32.462 0.400 . 1 . . . . A 85 MET CB . 34727 2 930 . 1 . 1 88 88 MET CG C 13 33.811 0.400 . 1 . . . . A 85 MET CG . 34727 2 931 . 1 . 1 88 88 MET CE C 13 17.090 0.400 . 1 . . . . A 85 MET CE . 34727 2 932 . 1 . 1 89 89 ARG H H 1 8.181 0.020 . 1 . . . . A 86 ARG H . 34727 2 933 . 1 . 1 89 89 ARG HA H 1 4.382 0.020 . 1 . . . . A 86 ARG HA . 34727 2 934 . 1 . 1 89 89 ARG HB2 H 1 1.768 0.020 . 2 . . . . A 86 ARG HB2 . 34727 2 935 . 1 . 1 89 89 ARG HB3 H 1 1.671 0.020 . 2 . . . . A 86 ARG HB3 . 34727 2 936 . 1 . 1 89 89 ARG HG2 H 1 1.578 0.020 . 2 . . . . A 86 ARG HG2 . 34727 2 937 . 1 . 1 89 89 ARG HG3 H 1 1.521 0.020 . 2 . . . . A 86 ARG HG3 . 34727 2 938 . 1 . 1 89 89 ARG HD2 H 1 3.185 0.020 . 2 . . . . A 86 ARG HD2 . 34727 2 939 . 1 . 1 89 89 ARG HD3 H 1 3.185 0.020 . 2 . . . . A 86 ARG HD3 . 34727 2 940 . 1 . 1 89 89 ARG CA C 13 55.822 0.400 . 1 . . . . A 86 ARG CA . 34727 2 941 . 1 . 1 89 89 ARG CB C 13 31.058 0.400 . 1 . . . . A 86 ARG CB . 34727 2 942 . 1 . 1 89 89 ARG CG C 13 27.186 0.400 . 1 . . . . A 86 ARG CG . 34727 2 943 . 1 . 1 89 89 ARG CD C 13 43.479 0.400 . 1 . . . . A 86 ARG CD . 34727 2 944 . 1 . 1 89 89 ARG N N 15 119.791 0.400 . 1 . . . . A 86 ARG N . 34727 2 945 . 1 . 1 90 90 ILE H H 1 8.172 0.020 . 1 . . . . A 87 ILE H . 34727 2 946 . 1 . 1 90 90 ILE HA H 1 4.165 0.020 . 1 . . . . A 87 ILE HA . 34727 2 947 . 1 . 1 90 90 ILE HB H 1 1.850 0.020 . 1 . . . . A 87 ILE HB . 34727 2 948 . 1 . 1 90 90 ILE HG12 H 1 1.147 0.020 . 1 . . . . A 87 ILE HG12 . 34727 2 949 . 1 . 1 90 90 ILE HG13 H 1 1.434 0.020 . 1 . . . . A 87 ILE HG13 . 34727 2 950 . 1 . 1 90 90 ILE HG21 H 1 0.874 0.020 . 1 . . . . A 87 ILE HG21 . 34727 2 951 . 1 . 1 90 90 ILE HG22 H 1 0.874 0.020 . 1 . . . . A 87 ILE HG22 . 34727 2 952 . 1 . 1 90 90 ILE HG23 H 1 0.874 0.020 . 1 . . . . A 87 ILE HG23 . 34727 2 953 . 1 . 1 90 90 ILE HD11 H 1 0.822 0.020 . 1 . . . . A 87 ILE HD11 . 34727 2 954 . 1 . 1 90 90 ILE HD12 H 1 0.822 0.020 . 1 . . . . A 87 ILE HD12 . 34727 2 955 . 1 . 1 90 90 ILE HD13 H 1 0.822 0.020 . 1 . . . . A 87 ILE HD13 . 34727 2 956 . 1 . 1 90 90 ILE CA C 13 61.005 0.400 . 1 . . . . A 87 ILE CA . 34727 2 957 . 1 . 1 90 90 ILE CB C 13 38.761 0.400 . 1 . . . . A 87 ILE CB . 34727 2 958 . 1 . 1 90 90 ILE CG1 C 13 27.397 0.400 . 1 . . . . A 87 ILE CG1 . 34727 2 959 . 1 . 1 90 90 ILE CG2 C 13 17.692 0.400 . 1 . . . . A 87 ILE CG2 . 34727 2 960 . 1 . 1 90 90 ILE CD1 C 13 12.945 0.400 . 1 . . . . A 87 ILE CD1 . 34727 2 961 . 1 . 1 90 90 ILE N N 15 122.525 0.400 . 1 . . . . A 87 ILE N . 34727 2 962 . 1 . 1 91 91 LYS H H 1 8.396 0.020 . 1 . . . . A 88 LYS H . 34727 2 963 . 1 . 1 91 91 LYS HA H 1 4.324 0.020 . 1 . . . . A 88 LYS HA . 34727 2 964 . 1 . 1 91 91 LYS HB2 H 1 1.848 0.020 . 2 . . . . A 88 LYS HB2 . 34727 2 965 . 1 . 1 91 91 LYS HB3 H 1 1.779 0.020 . 2 . . . . A 88 LYS HB3 . 34727 2 966 . 1 . 1 91 91 LYS HG2 H 1 1.470 0.020 . 2 . . . . A 88 LYS HG2 . 34727 2 967 . 1 . 1 91 91 LYS HG3 H 1 1.470 0.020 . 2 . . . . A 88 LYS HG3 . 34727 2 968 . 1 . 1 91 91 LYS HD2 H 1 1.592 0.020 . 2 . . . . A 88 LYS HD2 . 34727 2 969 . 1 . 1 91 91 LYS HD3 H 1 1.592 0.020 . 2 . . . . A 88 LYS HD3 . 34727 2 970 . 1 . 1 91 91 LYS HE2 H 1 3.030 0.020 . 2 . . . . A 88 LYS HE2 . 34727 2 971 . 1 . 1 91 91 LYS HE3 H 1 3.030 0.020 . 2 . . . . A 88 LYS HE3 . 34727 2 972 . 1 . 1 91 91 LYS CA C 13 56.512 0.400 . 1 . . . . A 88 LYS CA . 34727 2 973 . 1 . 1 91 91 LYS CB C 13 33.252 0.400 . 1 . . . . A 88 LYS CB . 34727 2 974 . 1 . 1 91 91 LYS CG C 13 24.825 0.400 . 1 . . . . A 88 LYS CG . 34727 2 975 . 1 . 1 91 91 LYS CD C 13 29.105 0.400 . 1 . . . . A 88 LYS CD . 34727 2 976 . 1 . 1 91 91 LYS CE C 13 42.238 0.400 . 1 . . . . A 88 LYS CE . 34727 2 977 . 1 . 1 91 91 LYS N N 15 125.701 0.400 . 1 . . . . A 88 LYS N . 34727 2 978 . 1 . 1 92 92 GLU H H 1 8.472 0.020 . 1 . . . . A 89 GLU H . 34727 2 979 . 1 . 1 92 92 GLU HA H 1 4.311 0.020 . 1 . . . . A 89 GLU HA . 34727 2 980 . 1 . 1 92 92 GLU HG2 H 1 2.342 0.020 . 2 . . . . A 89 GLU HG2 . 34727 2 981 . 1 . 1 92 92 GLU HG3 H 1 2.342 0.020 . 2 . . . . A 89 GLU HG3 . 34727 2 982 . 1 . 1 92 92 GLU CA C 13 56.892 0.400 . 1 . . . . A 89 GLU CA . 34727 2 983 . 1 . 1 92 92 GLU CG C 13 36.565 0.400 . 1 . . . . A 89 GLU CG . 34727 2 984 . 1 . 1 92 92 GLU N N 15 122.710 0.400 . 1 . . . . A 89 GLU N . 34727 2 985 . 1 . 1 93 93 GLY H H 1 8.484 0.020 . 1 . . . . A 90 GLY H . 34727 2 986 . 1 . 1 93 93 GLY HA2 H 1 4.077 0.020 . 2 . . . . A 90 GLY HA2 . 34727 2 987 . 1 . 1 93 93 GLY HA3 H 1 4.077 0.020 . 2 . . . . A 90 GLY HA3 . 34727 2 988 . 1 . 1 93 93 GLY CA C 13 45.596 0.400 . 1 . . . . A 90 GLY CA . 34727 2 989 . 1 . 1 93 93 GLY N N 15 110.481 0.400 . 1 . . . . A 90 GLY N . 34727 2 990 . 1 . 1 94 94 SER H H 1 8.150 0.020 . 1 . . . . A 91 SER H . 34727 2 991 . 1 . 1 94 94 SER HA H 1 4.561 0.020 . 1 . . . . A 91 SER HA . 34727 2 992 . 1 . 1 94 94 SER HB2 H 1 3.938 0.020 . 2 . . . . A 91 SER HB2 . 34727 2 993 . 1 . 1 94 94 SER HB3 H 1 3.938 0.020 . 2 . . . . A 91 SER HB3 . 34727 2 994 . 1 . 1 94 94 SER CA C 13 58.396 0.400 . 1 . . . . A 91 SER CA . 34727 2 995 . 1 . 1 94 94 SER CB C 13 64.123 0.400 . 1 . . . . A 91 SER CB . 34727 2 996 . 1 . 1 94 94 SER N N 15 115.305 0.400 . 1 . . . . A 91 SER N . 34727 2 997 . 1 . 1 95 95 SER H H 1 8.177 0.020 . 1 . . . . A 92 SER H . 34727 2 998 . 1 . 1 95 95 SER HA H 1 4.522 0.020 . 1 . . . . A 92 SER HA . 34727 2 999 . 1 . 1 95 95 SER HB2 H 1 3.911 0.020 . 2 . . . . A 92 SER HB2 . 34727 2 1000 . 1 . 1 95 95 SER HB3 H 1 3.911 0.020 . 2 . . . . A 92 SER HB3 . 34727 2 1001 . 1 . 1 95 95 SER CA C 13 58.472 0.400 . 1 . . . . A 92 SER CA . 34727 2 1002 . 1 . 1 95 95 SER CB C 13 64.010 0.400 . 1 . . . . A 92 SER CB . 34727 2 1003 . 1 . 1 95 95 SER N N 15 115.359 0.400 . 1 . . . . A 92 SER N . 34727 2 1004 . 1 . 1 96 96 ARG H H 1 8.181 0.020 . 1 . . . . A 93 ARG H . 34727 2 1005 . 1 . 1 96 96 ARG HA H 1 4.595 0.020 . 1 . . . . A 93 ARG HA . 34727 2 1006 . 1 . 1 96 96 ARG HB2 H 1 1.809 0.020 . 2 . . . . A 93 ARG HB2 . 34727 2 1007 . 1 . 1 96 96 ARG HB3 H 1 1.691 0.020 . 2 . . . . A 93 ARG HB3 . 34727 2 1008 . 1 . 1 96 96 ARG HG2 H 1 1.629 0.020 . 2 . . . . A 93 ARG HG2 . 34727 2 1009 . 1 . 1 96 96 ARG HG3 H 1 1.629 0.020 . 2 . . . . A 93 ARG HG3 . 34727 2 1010 . 1 . 1 96 96 ARG HD2 H 1 3.163 0.020 . 2 . . . . A 93 ARG HD2 . 34727 2 1011 . 1 . 1 96 96 ARG HD3 H 1 3.163 0.020 . 2 . . . . A 93 ARG HD3 . 34727 2 1012 . 1 . 1 96 96 ARG CA C 13 54.070 0.400 . 1 . . . . A 93 ARG CA . 34727 2 1013 . 1 . 1 96 96 ARG CB C 13 30.464 0.400 . 1 . . . . A 93 ARG CB . 34727 2 1014 . 1 . 1 96 96 ARG CG C 13 26.865 0.400 . 1 . . . . A 93 ARG CG . 34727 2 1015 . 1 . 1 96 96 ARG CD C 13 43.499 0.400 . 1 . . . . A 93 ARG CD . 34727 2 1016 . 1 . 1 96 96 ARG N N 15 122.999 0.400 . 1 . . . . A 93 ARG N . 34727 2 1017 . 1 . 1 97 97 PRO HA H 1 4.334 0.020 . 1 . . . . A 94 PRO HA . 34727 2 1018 . 1 . 1 97 97 PRO HB2 H 1 1.960 0.020 . 1 . . . . A 94 PRO HB2 . 34727 2 1019 . 1 . 1 97 97 PRO HB3 H 1 1.393 0.020 . 1 . . . . A 94 PRO HB3 . 34727 2 1020 . 1 . 1 97 97 PRO HG2 H 1 1.863 0.020 . 2 . . . . A 94 PRO HG2 . 34727 2 1021 . 1 . 1 97 97 PRO HG3 H 1 1.843 0.020 . 2 . . . . A 94 PRO HG3 . 34727 2 1022 . 1 . 1 97 97 PRO HD2 H 1 3.733 0.020 . 1 . . . . A 94 PRO HD2 . 34727 2 1023 . 1 . 1 97 97 PRO HD3 H 1 3.510 0.020 . 1 . . . . A 94 PRO HD3 . 34727 2 1024 . 1 . 1 97 97 PRO CA C 13 62.910 0.400 . 1 . . . . A 94 PRO CA . 34727 2 1025 . 1 . 1 97 97 PRO CB C 13 31.851 0.400 . 1 . . . . A 94 PRO CB . 34727 2 1026 . 1 . 1 97 97 PRO CG C 13 27.441 0.400 . 1 . . . . A 94 PRO CG . 34727 2 1027 . 1 . 1 97 97 PRO CD C 13 50.590 0.400 . 1 . . . . A 94 PRO CD . 34727 2 1028 . 1 . 1 98 98 VAL H H 1 8.035 0.020 . 1 . . . . A 95 VAL H . 34727 2 1029 . 1 . 1 98 98 VAL HA H 1 4.032 0.020 . 1 . . . . A 95 VAL HA . 34727 2 1030 . 1 . 1 98 98 VAL HB H 1 1.977 0.020 . 1 . . . . A 95 VAL HB . 34727 2 1031 . 1 . 1 98 98 VAL HG11 H 1 0.859 0.020 . 2 . . . . A 95 VAL HG11 . 34727 2 1032 . 1 . 1 98 98 VAL HG12 H 1 0.859 0.020 . 2 . . . . A 95 VAL HG12 . 34727 2 1033 . 1 . 1 98 98 VAL HG13 H 1 0.859 0.020 . 2 . . . . A 95 VAL HG13 . 34727 2 1034 . 1 . 1 98 98 VAL HG21 H 1 0.843 0.020 . 2 . . . . A 95 VAL HG21 . 34727 2 1035 . 1 . 1 98 98 VAL HG22 H 1 0.843 0.020 . 2 . . . . A 95 VAL HG22 . 34727 2 1036 . 1 . 1 98 98 VAL HG23 H 1 0.843 0.020 . 2 . . . . A 95 VAL HG23 . 34727 2 1037 . 1 . 1 98 98 VAL CA C 13 62.457 0.400 . 1 . . . . A 95 VAL CA . 34727 2 1038 . 1 . 1 98 98 VAL CB C 13 32.726 0.400 . 1 . . . . A 95 VAL CB . 34727 2 1039 . 1 . 1 98 98 VAL CG1 C 13 20.444 0.400 . 1 . . . . A 95 VAL CG1 . 34727 2 1040 . 1 . 1 98 98 VAL CG2 C 13 21.225 0.400 . 1 . . . . A 95 VAL CG2 . 34727 2 1041 . 1 . 1 98 98 VAL N N 15 119.184 0.400 . 1 . . . . A 95 VAL N . 34727 2 1042 . 1 . 1 99 99 TRP H H 1 7.811 0.020 . 1 . . . . A 96 TRP H . 34727 2 1043 . 1 . 1 99 99 TRP HB2 H 1 3.180 0.020 . 2 . . . . A 96 TRP HB2 . 34727 2 1044 . 1 . 1 99 99 TRP HB3 H 1 3.180 0.020 . 2 . . . . A 96 TRP HB3 . 34727 2 1045 . 1 . 1 99 99 TRP HD1 H 1 7.149 0.020 . 1 . . . . A 96 TRP HD1 . 34727 2 1046 . 1 . 1 99 99 TRP HE1 H 1 10.108 0.020 . 1 . . . . A 96 TRP HE1 . 34727 2 1047 . 1 . 1 99 99 TRP HE3 H 1 7.092 0.020 . 1 . . . . A 96 TRP HE3 . 34727 2 1048 . 1 . 1 99 99 TRP HZ2 H 1 7.406 0.020 . 1 . . . . A 96 TRP HZ2 . 34727 2 1049 . 1 . 1 99 99 TRP HZ3 H 1 7.006 0.020 . 1 . . . . A 96 TRP HZ3 . 34727 2 1050 . 1 . 1 99 99 TRP HH2 H 1 7.430 0.020 . 1 . . . . A 96 TRP HH2 . 34727 2 1051 . 1 . 1 99 99 TRP CB C 13 29.851 0.400 . 1 . . . . A 96 TRP CB . 34727 2 1052 . 1 . 1 99 99 TRP CD1 C 13 127.143 0.400 . 1 . . . . A 96 TRP CD1 . 34727 2 1053 . 1 . 1 99 99 TRP CE3 C 13 124.564 0.400 . 1 . . . . A 96 TRP CE3 . 34727 2 1054 . 1 . 1 99 99 TRP CZ2 C 13 114.608 0.400 . 1 . . . . A 96 TRP CZ2 . 34727 2 1055 . 1 . 1 99 99 TRP CZ3 C 13 121.904 0.400 . 1 . . . . A 96 TRP CZ3 . 34727 2 1056 . 1 . 1 99 99 TRP CH2 C 13 120.867 0.400 . 1 . . . . A 96 TRP CH2 . 34727 2 1057 . 1 . 1 99 99 TRP N N 15 122.553 0.400 . 1 . . . . A 96 TRP N . 34727 2 1058 . 1 . 1 99 99 TRP NE1 N 15 129.462 0.400 . 1 . . . . A 96 TRP NE1 . 34727 2 1059 . 1 . 1 100 100 SER H H 1 8.039 0.020 . 1 . . . . A 97 SER H . 34727 2 1060 . 1 . 1 100 100 SER HA H 1 4.455 0.020 . 1 . . . . A 97 SER HA . 34727 2 1061 . 1 . 1 100 100 SER HB2 H 1 3.874 0.020 . 2 . . . . A 97 SER HB2 . 34727 2 1062 . 1 . 1 100 100 SER HB3 H 1 3.711 0.020 . 2 . . . . A 97 SER HB3 . 34727 2 1063 . 1 . 1 100 100 SER CA C 13 58.047 0.400 . 1 . . . . A 97 SER CA . 34727 2 1064 . 1 . 1 100 100 SER CB C 13 64.397 0.400 . 1 . . . . A 97 SER CB . 34727 2 1065 . 1 . 1 100 100 SER N N 15 117.056 0.400 . 1 . . . . A 97 SER N . 34727 2 1066 . 1 . 1 101 101 ASP H H 1 8.227 0.020 . 1 . . . . A 98 ASP H . 34727 2 1067 . 1 . 1 101 101 ASP HA H 1 4.616 0.020 . 1 . . . . A 98 ASP HA . 34727 2 1068 . 1 . 1 101 101 ASP HB2 H 1 2.769 0.020 . 1 . . . . A 98 ASP HB2 . 34727 2 1069 . 1 . 1 101 101 ASP HB3 H 1 2.660 0.020 . 1 . . . . A 98 ASP HB3 . 34727 2 1070 . 1 . 1 101 101 ASP CA C 13 55.036 0.400 . 1 . . . . A 98 ASP CA . 34727 2 1071 . 1 . 1 101 101 ASP CB C 13 41.382 0.400 . 1 . . . . A 98 ASP CB . 34727 2 1072 . 1 . 1 101 101 ASP N N 15 122.528 0.400 . 1 . . . . A 98 ASP N . 34727 2 1073 . 1 . 1 102 102 ASP H H 1 8.236 0.020 . 1 . . . . A 99 ASP H . 34727 2 1074 . 1 . 1 102 102 ASP HA H 1 4.380 0.020 . 1 . . . . A 99 ASP HA . 34727 2 1075 . 1 . 1 102 102 ASP CA C 13 55.541 0.400 . 1 . . . . A 99 ASP CA . 34727 2 1076 . 1 . 1 102 102 ASP N N 15 120.091 0.400 . 1 . . . . A 99 ASP N . 34727 2 1077 . 1 . 1 103 103 ASP H H 1 8.194 0.020 . 1 . . . . A 100 ASP H . 34727 2 1078 . 1 . 1 103 103 ASP HB2 H 1 2.630 0.020 . 2 . . . . A 100 ASP HB2 . 34727 2 1079 . 1 . 1 103 103 ASP HB3 H 1 2.630 0.020 . 2 . . . . A 100 ASP HB3 . 34727 2 1080 . 1 . 1 103 103 ASP CB C 13 41.258 0.400 . 1 . . . . A 100 ASP CB . 34727 2 1081 . 1 . 1 103 103 ASP N N 15 119.975 0.400 . 1 . . . . A 100 ASP N . 34727 2 1082 . 1 . 1 104 104 TRP H H 1 8.038 0.020 . 1 . . . . A 101 TRP H . 34727 2 1083 . 1 . 1 104 104 TRP HA H 1 4.381 0.020 . 1 . . . . A 101 TRP HA . 34727 2 1084 . 1 . 1 104 104 TRP HB2 H 1 3.361 0.020 . 2 . . . . A 101 TRP HB2 . 34727 2 1085 . 1 . 1 104 104 TRP HB3 H 1 3.361 0.020 . 2 . . . . A 101 TRP HB3 . 34727 2 1086 . 1 . 1 104 104 TRP HD1 H 1 7.304 0.020 . 1 . . . . A 101 TRP HD1 . 34727 2 1087 . 1 . 1 104 104 TRP HE1 H 1 10.088 0.020 . 1 . . . . A 101 TRP HE1 . 34727 2 1088 . 1 . 1 104 104 TRP HE3 H 1 7.125 0.020 . 1 . . . . A 101 TRP HE3 . 34727 2 1089 . 1 . 1 104 104 TRP HZ2 H 1 7.356 0.020 . 1 . . . . A 101 TRP HZ2 . 34727 2 1090 . 1 . 1 104 104 TRP HZ3 H 1 6.996 0.020 . 1 . . . . A 101 TRP HZ3 . 34727 2 1091 . 1 . 1 104 104 TRP HH2 H 1 7.506 0.020 . 1 . . . . A 101 TRP HH2 . 34727 2 1092 . 1 . 1 104 104 TRP CA C 13 59.706 0.400 . 1 . . . . A 101 TRP CA . 34727 2 1093 . 1 . 1 104 104 TRP CB C 13 29.140 0.400 . 1 . . . . A 101 TRP CB . 34727 2 1094 . 1 . 1 104 104 TRP CD1 C 13 127.223 0.400 . 1 . . . . A 101 TRP CD1 . 34727 2 1095 . 1 . 1 104 104 TRP CE3 C 13 124.554 0.400 . 1 . . . . A 101 TRP CE3 . 34727 2 1096 . 1 . 1 104 104 TRP CZ2 C 13 114.661 0.400 . 1 . . . . A 101 TRP CZ2 . 34727 2 1097 . 1 . 1 104 104 TRP CZ3 C 13 121.928 0.400 . 1 . . . . A 101 TRP CZ3 . 34727 2 1098 . 1 . 1 104 104 TRP CH2 C 13 120.812 0.400 . 1 . . . . A 101 TRP CH2 . 34727 2 1099 . 1 . 1 104 104 TRP N N 15 120.979 0.400 . 1 . . . . A 101 TRP N . 34727 2 1100 . 1 . 1 104 104 TRP NE1 N 15 129.427 0.400 . 1 . . . . A 101 TRP NE1 . 34727 2 1101 . 1 . 1 105 105 LEU H H 1 7.842 0.020 . 1 . . . . A 102 LEU H . 34727 2 1102 . 1 . 1 105 105 LEU HA H 1 4.011 0.020 . 1 . . . . A 102 LEU HA . 34727 2 1103 . 1 . 1 105 105 LEU HB2 H 1 1.598 0.020 . 2 . . . . A 102 LEU HB2 . 34727 2 1104 . 1 . 1 105 105 LEU HB3 H 1 1.522 0.020 . 2 . . . . A 102 LEU HB3 . 34727 2 1105 . 1 . 1 105 105 LEU HG H 1 1.433 0.020 . 1 . . . . A 102 LEU HG . 34727 2 1106 . 1 . 1 105 105 LEU HD11 H 1 0.883 0.020 . 2 . . . . A 102 LEU HD11 . 34727 2 1107 . 1 . 1 105 105 LEU HD12 H 1 0.883 0.020 . 2 . . . . A 102 LEU HD12 . 34727 2 1108 . 1 . 1 105 105 LEU HD13 H 1 0.883 0.020 . 2 . . . . A 102 LEU HD13 . 34727 2 1109 . 1 . 1 105 105 LEU HD21 H 1 0.809 0.020 . 2 . . . . A 102 LEU HD21 . 34727 2 1110 . 1 . 1 105 105 LEU HD22 H 1 0.809 0.020 . 2 . . . . A 102 LEU HD22 . 34727 2 1111 . 1 . 1 105 105 LEU HD23 H 1 0.809 0.020 . 2 . . . . A 102 LEU HD23 . 34727 2 1112 . 1 . 1 105 105 LEU CA C 13 56.839 0.400 . 1 . . . . A 102 LEU CA . 34727 2 1113 . 1 . 1 105 105 LEU CB C 13 42.000 0.400 . 1 . . . . A 102 LEU CB . 34727 2 1114 . 1 . 1 105 105 LEU CG C 13 27.083 0.400 . 1 . . . . A 102 LEU CG . 34727 2 1115 . 1 . 1 105 105 LEU CD1 C 13 25.076 0.400 . 1 . . . . A 102 LEU CD1 . 34727 2 1116 . 1 . 1 105 105 LEU CD2 C 13 23.822 0.400 . 1 . . . . A 102 LEU CD2 . 34727 2 1117 . 1 . 1 105 105 LEU N N 15 119.503 0.400 . 1 . . . . A 102 LEU N . 34727 2 1118 . 1 . 1 106 106 LYS H H 1 7.805 0.020 . 1 . . . . A 103 LYS H . 34727 2 1119 . 1 . 1 106 106 LYS HA H 1 4.113 0.020 . 1 . . . . A 103 LYS HA . 34727 2 1120 . 1 . 1 106 106 LYS HB2 H 1 1.832 0.020 . 2 . . . . A 103 LYS HB2 . 34727 2 1121 . 1 . 1 106 106 LYS HB3 H 1 1.832 0.020 . 2 . . . . A 103 LYS HB3 . 34727 2 1122 . 1 . 1 106 106 LYS HG2 H 1 1.489 0.020 . 2 . . . . A 103 LYS HG2 . 34727 2 1123 . 1 . 1 106 106 LYS HG3 H 1 1.401 0.020 . 2 . . . . A 103 LYS HG3 . 34727 2 1124 . 1 . 1 106 106 LYS HD2 H 1 1.675 0.020 . 2 . . . . A 103 LYS HD2 . 34727 2 1125 . 1 . 1 106 106 LYS HD3 H 1 1.675 0.020 . 2 . . . . A 103 LYS HD3 . 34727 2 1126 . 1 . 1 106 106 LYS HE2 H 1 3.022 0.020 . 2 . . . . A 103 LYS HE2 . 34727 2 1127 . 1 . 1 106 106 LYS HE3 H 1 3.022 0.020 . 2 . . . . A 103 LYS HE3 . 34727 2 1128 . 1 . 1 106 106 LYS CA C 13 57.922 0.400 . 1 . . . . A 103 LYS CA . 34727 2 1129 . 1 . 1 106 106 LYS CB C 13 32.640 0.400 . 1 . . . . A 103 LYS CB . 34727 2 1130 . 1 . 1 106 106 LYS CG C 13 25.257 0.400 . 1 . . . . A 103 LYS CG . 34727 2 1131 . 1 . 1 106 106 LYS CD C 13 29.196 0.400 . 1 . . . . A 103 LYS CD . 34727 2 1132 . 1 . 1 106 106 LYS CE C 13 42.304 0.400 . 1 . . . . A 103 LYS CE . 34727 2 1133 . 1 . 1 106 106 LYS N N 15 119.138 0.400 . 1 . . . . A 103 LYS N . 34727 2 1134 . 1 . 1 107 107 LYS H H 1 7.745 0.020 . 1 . . . . A 104 LYS H . 34727 2 1135 . 1 . 1 107 107 LYS HA H 1 4.108 0.020 . 1 . . . . A 104 LYS HA . 34727 2 1136 . 1 . 1 107 107 LYS HB2 H 1 1.563 0.020 . 2 . . . . A 104 LYS HB2 . 34727 2 1137 . 1 . 1 107 107 LYS HB3 H 1 1.512 0.020 . 2 . . . . A 104 LYS HB3 . 34727 2 1138 . 1 . 1 107 107 LYS HG2 H 1 1.209 0.020 . 1 . . . . A 104 LYS HG2 . 34727 2 1139 . 1 . 1 107 107 LYS HG3 H 1 1.119 0.020 . 1 . . . . A 104 LYS HG3 . 34727 2 1140 . 1 . 1 107 107 LYS HD2 H 1 1.487 0.020 . 2 . . . . A 104 LYS HD2 . 34727 2 1141 . 1 . 1 107 107 LYS HD3 H 1 1.487 0.020 . 2 . . . . A 104 LYS HD3 . 34727 2 1142 . 1 . 1 107 107 LYS CA C 13 57.506 0.400 . 1 . . . . A 104 LYS CA . 34727 2 1143 . 1 . 1 107 107 LYS CB C 13 32.788 0.400 . 1 . . . . A 104 LYS CB . 34727 2 1144 . 1 . 1 107 107 LYS CG C 13 24.781 0.400 . 1 . . . . A 104 LYS CG . 34727 2 1145 . 1 . 1 107 107 LYS CD C 13 29.100 0.400 . 1 . . . . A 104 LYS CD . 34727 2 1146 . 1 . 1 107 107 LYS N N 15 119.338 0.400 . 1 . . . . A 104 LYS N . 34727 2 1147 . 1 . 1 108 108 PHE H H 1 7.945 0.020 . 1 . . . . A 105 PHE H . 34727 2 1148 . 1 . 1 108 108 PHE HA H 1 4.606 0.020 . 1 . . . . A 105 PHE HA . 34727 2 1149 . 1 . 1 108 108 PHE HB2 H 1 2.708 0.020 . 1 . . . . A 105 PHE HB2 . 34727 2 1150 . 1 . 1 108 108 PHE HB3 H 1 3.090 0.020 . 1 . . . . A 105 PHE HB3 . 34727 2 1151 . 1 . 1 108 108 PHE HD1 H 1 7.123 0.020 . 1 . . . . A 105 PHE HD1 . 34727 2 1152 . 1 . 1 108 108 PHE HD2 H 1 7.123 0.020 . 1 . . . . A 105 PHE HD2 . 34727 2 1153 . 1 . 1 108 108 PHE HE1 H 1 7.194 0.020 . 1 . . . . A 105 PHE HE1 . 34727 2 1154 . 1 . 1 108 108 PHE HE2 H 1 7.194 0.020 . 1 . . . . A 105 PHE HE2 . 34727 2 1155 . 1 . 1 108 108 PHE HZ H 1 7.331 0.020 . 1 . . . . A 105 PHE HZ . 34727 2 1156 . 1 . 1 108 108 PHE CA C 13 58.075 0.400 . 1 . . . . A 105 PHE CA . 34727 2 1157 . 1 . 1 108 108 PHE CB C 13 39.421 0.400 . 1 . . . . A 105 PHE CB . 34727 2 1158 . 1 . 1 108 108 PHE CD1 C 13 131.981 0.400 . 1 . . . . A 105 PHE CD1 . 34727 2 1159 . 1 . 1 108 108 PHE CE1 C 13 131.331 0.400 . 1 . . . . A 105 PHE CE1 . 34727 2 1160 . 1 . 1 108 108 PHE CZ C 13 129.817 0.400 . 1 . . . . A 105 PHE CZ . 34727 2 1161 . 1 . 1 108 108 PHE N N 15 118.737 0.400 . 1 . . . . A 105 PHE N . 34727 2 1162 . 1 . 1 109 109 SER H H 1 7.973 0.020 . 1 . . . . A 106 SER H . 34727 2 1163 . 1 . 1 109 109 SER HA H 1 4.433 0.020 . 1 . . . . A 106 SER HA . 34727 2 1164 . 1 . 1 109 109 SER CA C 13 58.844 0.400 . 1 . . . . A 106 SER CA . 34727 2 1165 . 1 . 1 109 109 SER N N 15 116.098 0.400 . 1 . . . . A 106 SER N . 34727 2 1166 . 1 . 1 110 110 GLY H H 1 8.225 0.020 . 1 . . . . A 107 GLY H . 34727 2 1167 . 1 . 1 110 110 GLY HA2 H 1 3.978 0.020 . 2 . . . . A 107 GLY HA2 . 34727 2 1168 . 1 . 1 110 110 GLY HA3 H 1 3.978 0.020 . 2 . . . . A 107 GLY HA3 . 34727 2 1169 . 1 . 1 110 110 GLY CA C 13 45.579 0.400 . 1 . . . . A 107 GLY CA . 34727 2 1170 . 1 . 1 110 110 GLY N N 15 110.307 0.400 . 1 . . . . A 107 GLY N . 34727 2 1171 . 1 . 1 111 111 LYS H H 1 8.121 0.020 . 1 . . . . A 108 LYS H . 34727 2 1172 . 1 . 1 111 111 LYS HB2 H 1 2.088 0.020 . 2 . . . . A 108 LYS HB2 . 34727 2 1173 . 1 . 1 111 111 LYS HB3 H 1 2.000 0.020 . 2 . . . . A 108 LYS HB3 . 34727 2 1174 . 1 . 1 111 111 LYS HG2 H 1 1.468 0.020 . 2 . . . . A 108 LYS HG2 . 34727 2 1175 . 1 . 1 111 111 LYS HG3 H 1 1.429 0.020 . 2 . . . . A 108 LYS HG3 . 34727 2 1176 . 1 . 1 111 111 LYS HD2 H 1 1.745 0.020 . 2 . . . . A 108 LYS HD2 . 34727 2 1177 . 1 . 1 111 111 LYS HD3 H 1 1.699 0.020 . 2 . . . . A 108 LYS HD3 . 34727 2 1178 . 1 . 1 111 111 LYS CB C 13 33.132 0.400 . 1 . . . . A 108 LYS CB . 34727 2 1179 . 1 . 1 111 111 LYS CG C 13 24.792 0.400 . 1 . . . . A 108 LYS CG . 34727 2 1180 . 1 . 1 111 111 LYS CD C 13 29.232 0.400 . 1 . . . . A 108 LYS CD . 34727 2 1181 . 1 . 1 111 111 LYS N N 15 120.504 0.400 . 1 . . . . A 108 LYS N . 34727 2 1182 . 1 . 1 112 112 THR H H 1 8.254 0.020 . 1 . . . . A 109 THR H . 34727 2 1183 . 1 . 1 112 112 THR HB H 1 4.244 0.020 . 1 . . . . A 109 THR HB . 34727 2 1184 . 1 . 1 112 112 THR HG21 H 1 1.241 0.020 . 1 . . . . A 109 THR HG21 . 34727 2 1185 . 1 . 1 112 112 THR HG22 H 1 1.241 0.020 . 1 . . . . A 109 THR HG22 . 34727 2 1186 . 1 . 1 112 112 THR HG23 H 1 1.241 0.020 . 1 . . . . A 109 THR HG23 . 34727 2 1187 . 1 . 1 112 112 THR CB C 13 69.931 0.400 . 1 . . . . A 109 THR CB . 34727 2 1188 . 1 . 1 112 112 THR CG2 C 13 21.845 0.400 . 1 . . . . A 109 THR CG2 . 34727 2 1189 . 1 . 1 112 112 THR N N 15 115.550 0.400 . 1 . . . . A 109 THR N . 34727 2 1190 . 1 . 1 113 113 LEU H H 1 8.262 0.020 . 1 . . . . A 110 LEU H . 34727 2 1191 . 1 . 1 113 113 LEU HA H 1 4.365 0.020 . 1 . . . . A 110 LEU HA . 34727 2 1192 . 1 . 1 113 113 LEU HB2 H 1 1.679 0.020 . 2 . . . . A 110 LEU HB2 . 34727 2 1193 . 1 . 1 113 113 LEU HB3 H 1 1.648 0.020 . 2 . . . . A 110 LEU HB3 . 34727 2 1194 . 1 . 1 113 113 LEU HG H 1 1.644 0.020 . 1 . . . . A 110 LEU HG . 34727 2 1195 . 1 . 1 113 113 LEU HD11 H 1 0.949 0.020 . 2 . . . . A 110 LEU HD11 . 34727 2 1196 . 1 . 1 113 113 LEU HD12 H 1 0.949 0.020 . 2 . . . . A 110 LEU HD12 . 34727 2 1197 . 1 . 1 113 113 LEU HD13 H 1 0.949 0.020 . 2 . . . . A 110 LEU HD13 . 34727 2 1198 . 1 . 1 113 113 LEU HD21 H 1 0.949 0.020 . 2 . . . . A 110 LEU HD21 . 34727 2 1199 . 1 . 1 113 113 LEU HD22 H 1 0.949 0.020 . 2 . . . . A 110 LEU HD22 . 34727 2 1200 . 1 . 1 113 113 LEU HD23 H 1 0.949 0.020 . 2 . . . . A 110 LEU HD23 . 34727 2 1201 . 1 . 1 113 113 LEU CA C 13 62.058 0.400 . 1 . . . . A 110 LEU CA . 34727 2 1202 . 1 . 1 113 113 LEU CB C 13 42.423 0.400 . 1 . . . . A 110 LEU CB . 34727 2 1203 . 1 . 1 113 113 LEU CG C 13 27.340 0.400 . 1 . . . . A 110 LEU CG . 34727 2 1204 . 1 . 1 113 113 LEU CD1 C 13 25.008 0.400 . 1 . . . . A 110 LEU CD1 . 34727 2 1205 . 1 . 1 113 113 LEU N N 15 124.307 0.400 . 1 . . . . A 110 LEU N . 34727 2 1206 . 1 . 1 114 114 GLU H H 1 8.331 0.020 . 1 . . . . A 111 GLU H . 34727 2 1207 . 1 . 1 114 114 GLU HB2 H 1 2.077 0.020 . 2 . . . . A 111 GLU HB2 . 34727 2 1208 . 1 . 1 114 114 GLU HB3 H 1 1.962 0.020 . 2 . . . . A 111 GLU HB3 . 34727 2 1209 . 1 . 1 114 114 GLU HG2 H 1 2.324 0.020 . 2 . . . . A 111 GLU HG2 . 34727 2 1210 . 1 . 1 114 114 GLU HG3 H 1 2.324 0.020 . 2 . . . . A 111 GLU HG3 . 34727 2 1211 . 1 . 1 114 114 GLU CB C 13 30.468 0.400 . 1 . . . . A 111 GLU CB . 34727 2 1212 . 1 . 1 114 114 GLU CG C 13 36.485 0.400 . 1 . . . . A 111 GLU CG . 34727 2 1213 . 1 . 1 114 114 GLU N N 15 121.641 0.400 . 1 . . . . A 111 GLU N . 34727 2 1214 . 1 . 1 115 115 GLU H H 1 8.332 0.020 . 1 . . . . A 112 GLU H . 34727 2 1215 . 1 . 1 115 115 GLU HA H 1 4.310 0.020 . 1 . . . . A 112 GLU HA . 34727 2 1216 . 1 . 1 115 115 GLU HB2 H 1 2.079 0.020 . 2 . . . . A 112 GLU HB2 . 34727 2 1217 . 1 . 1 115 115 GLU HB3 H 1 2.079 0.020 . 2 . . . . A 112 GLU HB3 . 34727 2 1218 . 1 . 1 115 115 GLU HG2 H 1 2.299 0.020 . 2 . . . . A 112 GLU HG2 . 34727 2 1219 . 1 . 1 115 115 GLU HG3 H 1 2.299 0.020 . 2 . . . . A 112 GLU HG3 . 34727 2 1220 . 1 . 1 115 115 GLU CA C 13 56.749 0.400 . 1 . . . . A 112 GLU CA . 34727 2 1221 . 1 . 1 115 115 GLU CB C 13 30.521 0.400 . 1 . . . . A 112 GLU CB . 34727 2 1222 . 1 . 1 115 115 GLU CG C 13 36.412 0.400 . 1 . . . . A 112 GLU CG . 34727 2 1223 . 1 . 1 115 115 GLU N N 15 121.371 0.400 . 1 . . . . A 112 GLU N . 34727 2 1224 . 1 . 1 116 116 ASN H H 1 8.436 0.020 . 1 . . . . A 113 ASN H . 34727 2 1225 . 1 . 1 116 116 ASN HA H 1 4.667 0.020 . 1 . . . . A 113 ASN HA . 34727 2 1226 . 1 . 1 116 116 ASN HB2 H 1 2.888 0.020 . 2 . . . . A 113 ASN HB2 . 34727 2 1227 . 1 . 1 116 116 ASN HB3 H 1 2.764 0.020 . 2 . . . . A 113 ASN HB3 . 34727 2 1228 . 1 . 1 116 116 ASN HD21 H 1 7.560 0.020 . 2 . . . . A 113 ASN HD21 . 34727 2 1229 . 1 . 1 116 116 ASN HD22 H 1 6.794 0.020 . 2 . . . . A 113 ASN HD22 . 34727 2 1230 . 1 . 1 116 116 ASN CA C 13 56.508 0.400 . 1 . . . . A 113 ASN CA . 34727 2 1231 . 1 . 1 116 116 ASN CB C 13 39.040 0.400 . 1 . . . . A 113 ASN CB . 34727 2 1232 . 1 . 1 116 116 ASN N N 15 120.228 0.400 . 1 . . . . A 113 ASN N . 34727 2 1233 . 1 . 1 116 116 ASN ND2 N 15 112.799 0.400 . 1 . . . . A 113 ASN ND2 . 34727 2 1234 . 1 . 1 117 117 LYS H H 1 7.827 0.020 . 1 . . . . A 114 LYS H . 34727 2 1235 . 1 . 1 117 117 LYS HA H 1 4.207 0.020 . 1 . . . . A 114 LYS HA . 34727 2 1236 . 1 . 1 117 117 LYS HB2 H 1 1.862 0.020 . 2 . . . . A 114 LYS HB2 . 34727 2 1237 . 1 . 1 117 117 LYS HB3 H 1 1.739 0.020 . 2 . . . . A 114 LYS HB3 . 34727 2 1238 . 1 . 1 117 117 LYS HD2 H 1 1.686 0.020 . 2 . . . . A 114 LYS HD2 . 34727 2 1239 . 1 . 1 117 117 LYS HD3 H 1 1.686 0.020 . 2 . . . . A 114 LYS HD3 . 34727 2 1240 . 1 . 1 117 117 LYS CA C 13 57.725 0.400 . 1 . . . . A 114 LYS CA . 34727 2 1241 . 1 . 1 117 117 LYS CB C 13 33.922 0.400 . 1 . . . . A 114 LYS CB . 34727 2 1242 . 1 . 1 117 117 LYS CD C 13 29.220 0.400 . 1 . . . . A 114 LYS CD . 34727 2 1243 . 1 . 1 117 117 LYS N N 15 126.682 0.400 . 1 . . . . A 114 LYS N . 34727 2 stop_ save_