data_34728 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34728 _Entry.Title ; RNA binding induces an allosteric switch in Cyp33 to repress MLL1 mediated transcription regulation ; _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. . . . 34728 2 F. Allain F. . . . 34728 3 C. Meylan C. . . . 34728 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EPIGENETIC . 34728 H3K4me3 . 34728 'HISTONE 3' . 34728 'MLL1 Transcription regulation' . 34728 'RNA BINDING PROTEIN-STRUCTURAL PROTEIN COMPLEX' . 34728 RRM . 34728 TRANSCRIPTION . 34728 'infant leukemia' . 34728 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 34728 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 34728 '15N chemical shifts' 155 34728 '1H chemical shifts' 1062 34728 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 2022-03-31 update BMRB 'update entry citation' 34728 1 . . 2022-04-11 2022-03-31 original author 'original release' 34728 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ZEZ 'BMRB Entry Tracking System' 34728 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34728 _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. . . . 34728 1 2 Charlotte Meylan C. . . . 34728 1 3 Antoine Clery A. . . . 34728 1 4 Roberto Giambruno R. . . . 34728 1 5 Yaroslav Nikolaev Y. . . . 34728 1 6 Michel Heidecker M. . . . 34728 1 7 'Jessica Arvindbhai' Solanki J. A. . . 34728 1 8 Manuel Diaz M. O. . . 34728 1 9 Davide Gabellini D. . . . 34728 1 10 'Frederic H-T' Allain F. H. . . 34728 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34728 _Assembly.ID 1 _Assembly.Name 'Isoform 3 of Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8), MLL cleavage product N320, Histone H3' _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 . . . . . . 34728 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34728 1 3 unit_3 3 $entity_3 C D yes . . . . . . 34728 1 4 unit_4 4 $entity_ZN D B no . . . . . . 34728 1 5 unit_5 4 $entity_ZN E B no . . . . . . 34728 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 . 4 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 2 coordination single . 2 . 2 CYS 9 9 SG . 4 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 3 coordination single . 2 . 2 CYS 25 25 SG . 4 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 4 coordination single . 2 . 2 CYS 28 28 SG . 4 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 5 coordination single . 2 . 2 HIS 33 33 ND1 . 5 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 6 coordination single . 2 . 2 CYS 36 36 SG . 5 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 7 coordination single . 2 . 2 CYS 58 58 SG . 5 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 8 coordination single . 2 . 2 CYS 61 61 SG . 5 . 4 ZN 1 1 ZN . . . . . . . . . . . . 34728 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34728 _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 RVNLAKPMRIKEG ; _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 93 _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 1-90)' _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10349.721 _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 34728 1 Cyclophilin-33 common 34728 1 'PPIase E' common 34728 1 'Rotamase E' common 34728 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 . 34728 1 2 . GLY . 34728 1 3 . HIS . 34728 1 4 . MET . 34728 1 5 . ALA . 34728 1 6 . THR . 34728 1 7 . THR . 34728 1 8 . LYS . 34728 1 9 . ARG . 34728 1 10 . VAL . 34728 1 11 . LEU . 34728 1 12 . TYR . 34728 1 13 . VAL . 34728 1 14 . GLY . 34728 1 15 . GLY . 34728 1 16 . LEU . 34728 1 17 . ALA . 34728 1 18 . GLU . 34728 1 19 . GLU . 34728 1 20 . VAL . 34728 1 21 . ASP . 34728 1 22 . ASP . 34728 1 23 . LYS . 34728 1 24 . VAL . 34728 1 25 . LEU . 34728 1 26 . HIS . 34728 1 27 . ALA . 34728 1 28 . ALA . 34728 1 29 . PHE . 34728 1 30 . ILE . 34728 1 31 . PRO . 34728 1 32 . PHE . 34728 1 33 . GLY . 34728 1 34 . ASP . 34728 1 35 . ILE . 34728 1 36 . THR . 34728 1 37 . ASP . 34728 1 38 . ILE . 34728 1 39 . GLN . 34728 1 40 . ILE . 34728 1 41 . PRO . 34728 1 42 . LEU . 34728 1 43 . ASP . 34728 1 44 . TYR . 34728 1 45 . GLU . 34728 1 46 . THR . 34728 1 47 . GLU . 34728 1 48 . LYS . 34728 1 49 . HIS . 34728 1 50 . ARG . 34728 1 51 . GLY . 34728 1 52 . PHE . 34728 1 53 . ALA . 34728 1 54 . PHE . 34728 1 55 . VAL . 34728 1 56 . GLU . 34728 1 57 . PHE . 34728 1 58 . GLU . 34728 1 59 . LEU . 34728 1 60 . ALA . 34728 1 61 . GLU . 34728 1 62 . ASP . 34728 1 63 . ALA . 34728 1 64 . ALA . 34728 1 65 . ALA . 34728 1 66 . ALA . 34728 1 67 . ILE . 34728 1 68 . ASP . 34728 1 69 . ASN . 34728 1 70 . MET . 34728 1 71 . ASN . 34728 1 72 . GLU . 34728 1 73 . SER . 34728 1 74 . GLU . 34728 1 75 . LEU . 34728 1 76 . PHE . 34728 1 77 . GLY . 34728 1 78 . ARG . 34728 1 79 . THR . 34728 1 80 . ILE . 34728 1 81 . ARG . 34728 1 82 . VAL . 34728 1 83 . ASN . 34728 1 84 . LEU . 34728 1 85 . ALA . 34728 1 86 . LYS . 34728 1 87 . PRO . 34728 1 88 . MET . 34728 1 89 . ARG . 34728 1 90 . ILE . 34728 1 91 . LYS . 34728 1 92 . GLU . 34728 1 93 . GLY . 34728 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 34728 1 . GLY 2 2 34728 1 . HIS 3 3 34728 1 . MET 4 4 34728 1 . ALA 5 5 34728 1 . THR 6 6 34728 1 . THR 7 7 34728 1 . LYS 8 8 34728 1 . ARG 9 9 34728 1 . VAL 10 10 34728 1 . LEU 11 11 34728 1 . TYR 12 12 34728 1 . VAL 13 13 34728 1 . GLY 14 14 34728 1 . GLY 15 15 34728 1 . LEU 16 16 34728 1 . ALA 17 17 34728 1 . GLU 18 18 34728 1 . GLU 19 19 34728 1 . VAL 20 20 34728 1 . ASP 21 21 34728 1 . ASP 22 22 34728 1 . LYS 23 23 34728 1 . VAL 24 24 34728 1 . LEU 25 25 34728 1 . HIS 26 26 34728 1 . ALA 27 27 34728 1 . ALA 28 28 34728 1 . PHE 29 29 34728 1 . ILE 30 30 34728 1 . PRO 31 31 34728 1 . PHE 32 32 34728 1 . GLY 33 33 34728 1 . ASP 34 34 34728 1 . ILE 35 35 34728 1 . THR 36 36 34728 1 . ASP 37 37 34728 1 . ILE 38 38 34728 1 . GLN 39 39 34728 1 . ILE 40 40 34728 1 . PRO 41 41 34728 1 . LEU 42 42 34728 1 . ASP 43 43 34728 1 . TYR 44 44 34728 1 . GLU 45 45 34728 1 . THR 46 46 34728 1 . GLU 47 47 34728 1 . LYS 48 48 34728 1 . HIS 49 49 34728 1 . ARG 50 50 34728 1 . GLY 51 51 34728 1 . PHE 52 52 34728 1 . ALA 53 53 34728 1 . PHE 54 54 34728 1 . VAL 55 55 34728 1 . GLU 56 56 34728 1 . PHE 57 57 34728 1 . GLU 58 58 34728 1 . LEU 59 59 34728 1 . ALA 60 60 34728 1 . GLU 61 61 34728 1 . ASP 62 62 34728 1 . ALA 63 63 34728 1 . ALA 64 64 34728 1 . ALA 65 65 34728 1 . ALA 66 66 34728 1 . ILE 67 67 34728 1 . ASP 68 68 34728 1 . ASN 69 69 34728 1 . MET 70 70 34728 1 . ASN 71 71 34728 1 . GLU 72 72 34728 1 . SER 73 73 34728 1 . GLU 74 74 34728 1 . LEU 75 75 34728 1 . PHE 76 76 34728 1 . GLY 77 77 34728 1 . ARG 78 78 34728 1 . THR 79 79 34728 1 . ILE 80 80 34728 1 . ARG 81 81 34728 1 . VAL 82 82 34728 1 . ASN 83 83 34728 1 . LEU 84 84 34728 1 . ALA 85 85 34728 1 . LYS 86 86 34728 1 . PRO 87 87 34728 1 . MET 88 88 34728 1 . ARG 89 89 34728 1 . ILE 90 90 34728 1 . LYS 91 91 34728 1 . GLU 92 92 34728 1 . GLY 93 93 34728 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34728 _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 34728 2 p320 common 34728 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 . 34728 2 2 . LYS . 34728 2 3 . GLY . 34728 2 4 . ASN . 34728 2 5 . PHE . 34728 2 6 . CYS . 34728 2 7 . PRO . 34728 2 8 . LEU . 34728 2 9 . CYS . 34728 2 10 . ASP . 34728 2 11 . LYS . 34728 2 12 . CYS . 34728 2 13 . TYR . 34728 2 14 . ASP . 34728 2 15 . ASP . 34728 2 16 . ASP . 34728 2 17 . ASP . 34728 2 18 . TYR . 34728 2 19 . GLU . 34728 2 20 . SER . 34728 2 21 . LYS . 34728 2 22 . MET . 34728 2 23 . MET . 34728 2 24 . GLN . 34728 2 25 . CYS . 34728 2 26 . GLY . 34728 2 27 . LYS . 34728 2 28 . CYS . 34728 2 29 . ASP . 34728 2 30 . ARG . 34728 2 31 . TRP . 34728 2 32 . VAL . 34728 2 33 . HIS . 34728 2 34 . SER . 34728 2 35 . LYS . 34728 2 36 . CYS . 34728 2 37 . GLU . 34728 2 38 . ASN . 34728 2 39 . LEU . 34728 2 40 . SER . 34728 2 41 . ASP . 34728 2 42 . GLU . 34728 2 43 . MET . 34728 2 44 . TYR . 34728 2 45 . GLU . 34728 2 46 . ILE . 34728 2 47 . LEU . 34728 2 48 . SER . 34728 2 49 . ASN . 34728 2 50 . LEU . 34728 2 51 . PRO . 34728 2 52 . GLU . 34728 2 53 . SER . 34728 2 54 . VAL . 34728 2 55 . ALA . 34728 2 56 . TYR . 34728 2 57 . THR . 34728 2 58 . CYS . 34728 2 59 . VAL . 34728 2 60 . ASN . 34728 2 61 . CYS . 34728 2 62 . THR . 34728 2 63 . GLU . 34728 2 64 . ARG . 34728 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 34728 2 . LYS 2 2 34728 2 . GLY 3 3 34728 2 . ASN 4 4 34728 2 . PHE 5 5 34728 2 . CYS 6 6 34728 2 . PRO 7 7 34728 2 . LEU 8 8 34728 2 . CYS 9 9 34728 2 . ASP 10 10 34728 2 . LYS 11 11 34728 2 . CYS 12 12 34728 2 . TYR 13 13 34728 2 . ASP 14 14 34728 2 . ASP 15 15 34728 2 . ASP 16 16 34728 2 . ASP 17 17 34728 2 . TYR 18 18 34728 2 . GLU 19 19 34728 2 . SER 20 20 34728 2 . LYS 21 21 34728 2 . MET 22 22 34728 2 . MET 23 23 34728 2 . GLN 24 24 34728 2 . CYS 25 25 34728 2 . GLY 26 26 34728 2 . LYS 27 27 34728 2 . CYS 28 28 34728 2 . ASP 29 29 34728 2 . ARG 30 30 34728 2 . TRP 31 31 34728 2 . VAL 32 32 34728 2 . HIS 33 33 34728 2 . SER 34 34 34728 2 . LYS 35 35 34728 2 . CYS 36 36 34728 2 . GLU 37 37 34728 2 . ASN 38 38 34728 2 . LEU 39 39 34728 2 . SER 40 40 34728 2 . ASP 41 41 34728 2 . GLU 42 42 34728 2 . MET 43 43 34728 2 . TYR 44 44 34728 2 . GLU 45 45 34728 2 . ILE 46 46 34728 2 . LEU 47 47 34728 2 . SER 48 48 34728 2 . ASN 49 49 34728 2 . LEU 50 50 34728 2 . PRO 51 51 34728 2 . GLU 52 52 34728 2 . SER 53 53 34728 2 . VAL 54 54 34728 2 . ALA 55 55 34728 2 . TYR 56 56 34728 2 . THR 57 57 34728 2 . CYS 58 58 34728 2 . VAL 59 59 34728 2 . ASN 60 60 34728 2 . CYS 61 61 34728 2 . THR 62 62 34728 2 . GLU 63 63 34728 2 . ARG 64 64 34728 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 34728 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ARTXQTARKSTGG ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 3 _Entity.Fragment 'N-TERMINAL TAIL (UNP RESIDUES 2-14)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1407.620 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 34728 3 2 . ARG . 34728 3 3 . THR . 34728 3 4 . M3L . 34728 3 5 . GLN . 34728 3 6 . THR . 34728 3 7 . ALA . 34728 3 8 . ARG . 34728 3 9 . LYS . 34728 3 10 . SER . 34728 3 11 . THR . 34728 3 12 . GLY . 34728 3 13 . GLY . 34728 3 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 34728 3 . ARG 2 2 34728 3 . THR 3 3 34728 3 . M3L 4 4 34728 3 . GLN 5 5 34728 3 . THR 6 6 34728 3 . ALA 7 7 34728 3 . ARG 8 8 34728 3 . LYS 9 9 34728 3 . SER 10 10 34728 3 . THR 11 11 34728 3 . GLY 12 12 34728 3 . GLY 13 13 34728 3 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34728 _Entity.ID 4 _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 4 _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 34728 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34728 4 ZN 'Three letter code' 34728 4 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 34728 4 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 34728 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PPIE, CYP33' . 34728 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'KMT2A, ALL1, CXXC7, HRX, HTRX, MLL, MLL1, TRX1' . 34728 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34728 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 34728 _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' . 'NdeI plus XhoI' 562 Escherichia coli . . . PLASMID . . PTYB12 . . . 34728 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . PLASMID . . PTYB11 . . . 34728 1 3 3 $entity_3 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34728 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 34728 _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 34728 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34728 ZN [Zn++] SMILES CACTVS 3.341 34728 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34728 ZN [Zn+2] SMILES ACDLabs 10.04 34728 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34728 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34728 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 34728 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34728 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 . 34728 ZN stop_ save_ save_chem_comp_M3L _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M3L _Chem_comp.Entry_ID 34728 _Chem_comp.ID M3L _Chem_comp.Provenance PDB _Chem_comp.Name N-TRIMETHYLLYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code M3L _Chem_comp.PDB_code M3L _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 K _Chem_comp.Three_letter_code M3L _Chem_comp.Number_atoms_all 34 _Chem_comp.Number_atoms_nh 13 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 _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 LYS _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H21 N2 O2' _Chem_comp.Formula_weight 189.275 _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 1IRV _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 C[N+](C)(C)CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 34728 M3L C[N+](C)(C)CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34728 M3L C[N+](C)(C)CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 34728 M3L C[N+](C)(C)CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 34728 M3L InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 InChI InChI 1.03 34728 M3L MXNRLFUSFKVQSK-QMMMGPOBSA-O InChIKey InChI 1.03 34728 M3L O=C(O)C(N)CCCC[N+](C)(C)C SMILES ACDLabs 10.04 34728 M3L 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 N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium 'SYSTEMATIC NAME' ACDLabs 10.04 34728 M3L [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34728 M3L 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 N N N N . N . . N 0 . . . 1 N N . . . . -2.814 . 12.539 . 13.256 . 2.673 -1.806 -0.237 1 . 34728 M3L CA CA CA CA . C . . S 0 . . . 1 N N . . . . -3.102 . 11.614 . 14.365 . 2.588 -0.365 -0.509 2 . 34728 M3L CB CB CB CB . C . . N 0 . . . 1 N N . . . . -4.189 . 12.119 . 15.335 . 1.322 0.202 0.136 3 . 34728 M3L CG CG CG CG . C . . N 0 . . . 1 N N . . . . -3.880 . 13.549 . 15.831 . 0.090 -0.410 -0.535 4 . 34728 M3L CD CD CD CD . C . . N 0 . . . 1 N N . . . . -4.441 . 13.558 . 17.321 . -1.176 0.157 0.110 5 . 34728 M3L CE CE CE CE . C . . N 0 . . . 1 N N . . . . -3.694 . 14.657 . 18.071 . -2.408 -0.455 -0.560 6 . 34728 M3L NZ NZ NZ NZ . N . . N 1 . . . 1 N N . . . . -4.572 . 15.283 . 19.112 . -3.623 0.090 0.059 7 . 34728 M3L C C C C . C . . N 0 . . . 1 N N . . . . -3.379 . 10.187 . 13.922 . 3.798 0.327 0.065 8 . 34728 M3L O O O O . O . . N 0 . . . 1 N N . . . . -3.248 . 9.276 . 14.755 . 4.447 -0.211 0.930 9 . 34728 M3L OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . -3.767 . 10.077 . 12.705 . 4.153 1.541 -0.384 10 . 34728 M3L CM1 CM1 CM1 CM1 . C . . N 0 . . . 1 N N . . . . -4.397 . 14.369 . 20.286 . -3.648 1.549 -0.111 11 . 34728 M3L CM2 CM2 CM2 CM2 . C . . N 0 . . . 1 N N . . . . -4.155 . 16.639 . 19.590 . -3.632 -0.237 1.491 12 . 34728 M3L CM3 CM3 CM3 CM3 . C . . N 0 . . . 1 N N . . . . -5.970 . 15.303 . 18.583 . -4.806 -0.498 -0.585 13 . 34728 M3L H H H 1HN . H . . N 0 . . . 1 N N . . . . -2.094 . 12.204 . 12.614 . 2.704 -1.910 0.766 14 . 34728 M3L H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . -2.573 . 13.463 . 13.613 . 1.802 -2.211 -0.544 15 . 34728 M3L HA HA HA HA . H . . N 0 . . . 1 N N . . . . -2.146 . 11.591 . 14.939 . 2.553 -0.200 -1.586 16 . 34728 M3L HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . -5.204 . 12.054 . 14.880 . 1.304 1.285 0.010 17 . 34728 M3L HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . -4.337 . 11.414 . 16.186 . 1.315 -0.040 1.198 18 . 34728 M3L HG2 HG2 HG2 1HG . H . . N 0 . . . 1 N N . . . . -2.809 . 13.847 . 15.739 . 0.109 -1.492 -0.409 19 . 34728 M3L HG3 HG3 HG3 2HG . H . . N 0 . . . 1 N N . . . . -4.284 . 14.359 . 15.181 . 0.097 -0.167 -1.598 20 . 34728 M3L HD2 HD2 HD2 1HD . H . . N 0 . . . 1 N N . . . . -5.549 . 13.668 . 17.371 . -1.194 1.240 -0.016 21 . 34728 M3L HD3 HD3 HD3 2HD . H . . N 0 . . . 1 N N . . . . -4.374 . 12.563 . 17.820 . -1.182 -0.085 1.173 22 . 34728 M3L HE2 HE2 HE2 1HE . H . . N 0 . . . 1 N N . . . . -2.739 . 14.282 . 18.507 . -2.389 -1.537 -0.435 23 . 34728 M3L HE3 HE3 HE3 2HE . H . . N 0 . . . 1 N N . . . . -3.272 . 15.418 . 17.374 . -2.401 -0.212 -1.623 24 . 34728 M3L HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . -3.940 . 9.184 . 12.428 . 4.929 1.985 -0.016 25 . 34728 M3L HM11 HM11 HM11 1HM1 . H . . N 0 . . . 0 N N . . . . -5.050 . 14.834 . 21.060 . -2.771 1.985 0.367 26 . 34728 M3L HM12 HM12 HM12 2HM1 . H . . N 0 . . . 0 N N . . . . -4.612 . 13.295 . 20.077 . -3.641 1.791 -1.173 27 . 34728 M3L HM13 HM13 HM13 3HM1 . H . . N 0 . . . 0 N N . . . . -3.339 . 14.210 . 20.601 . -4.550 1.953 0.349 28 . 34728 M3L HM21 HM21 HM21 1HM2 . H . . N 0 . . . 0 N N . . . . -4.808 . 17.104 . 20.364 . -4.534 0.167 1.950 29 . 34728 M3L HM22 HM22 HM22 2HM2 . H . . N 0 . . . 0 N N . . . . -3.101 . 16.605 . 19.953 . -3.614 -1.320 1.616 30 . 34728 M3L HM23 HM23 HM23 3HM2 . H . . N 0 . . . 0 N N . . . . -4.045 . 17.329 . 18.721 . -2.755 0.199 1.968 31 . 34728 M3L HM31 HM31 HM31 1HM3 . H . . N 0 . . . 0 N N . . . . -6.623 . 15.768 . 19.357 . -4.799 -0.255 -1.648 32 . 34728 M3L HM32 HM32 HM32 2HM3 . H . . N 0 . . . 0 N N . . . . -6.049 . 15.806 . 17.591 . -4.788 -1.581 -0.459 33 . 34728 M3L HM33 HM33 HM33 3HM3 . H . . N 0 . . . 0 N N . . . . -6.326 . 14.295 . 18.266 . -5.708 -0.094 -0.126 34 . 34728 M3L stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 34728 M3L 2 . SING N H N N 2 . 34728 M3L 3 . SING N H2 N N 3 . 34728 M3L 4 . SING CA CB N N 4 . 34728 M3L 5 . SING CA C N N 5 . 34728 M3L 6 . SING CA HA N N 6 . 34728 M3L 7 . SING CB CG N N 7 . 34728 M3L 8 . SING CB HB2 N N 8 . 34728 M3L 9 . SING CB HB3 N N 9 . 34728 M3L 10 . SING CG CD N N 10 . 34728 M3L 11 . SING CG HG2 N N 11 . 34728 M3L 12 . SING CG HG3 N N 12 . 34728 M3L 13 . SING CD CE N N 13 . 34728 M3L 14 . SING CD HD2 N N 14 . 34728 M3L 15 . SING CD HD3 N N 15 . 34728 M3L 16 . SING CE NZ N N 16 . 34728 M3L 17 . SING CE HE2 N N 17 . 34728 M3L 18 . SING CE HE3 N N 18 . 34728 M3L 19 . SING NZ CM1 N N 19 . 34728 M3L 20 . SING NZ CM2 N N 20 . 34728 M3L 21 . SING NZ CM3 N N 21 . 34728 M3L 22 . DOUB C O N N 22 . 34728 M3L 23 . SING C OXT N N 23 . 34728 M3L 24 . SING OXT HXT N N 24 . 34728 M3L 25 . SING CM1 HM11 N N 25 . 34728 M3L 26 . SING CM1 HM12 N N 26 . 34728 M3L 27 . SING CM1 HM13 N N 27 . 34728 M3L 28 . SING CM2 HM21 N N 28 . 34728 M3L 29 . SING CM2 HM22 N N 29 . 34728 M3L 30 . SING CM2 HM23 N N 30 . 34728 M3L 31 . SING CM3 HM31 N N 31 . 34728 M3L 32 . SING CM3 HM32 N N 32 . 34728 M3L 33 . SING CM3 HM33 N N 33 . 34728 M3L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34728 _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, 1 mM HISTONE H3, 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 . . . . 34728 1 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' '[U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34728 1 3 'HISTONE H3' 'natural abundance' . . 3 $entity_3 . . 1 . . mM . . . . 34728 1 4 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 1 5 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 1 6 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 34728 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34728 _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, 1 mM HISTONE H3, 40 mM sodium chloride, 40 mM sodium phosphate, 10 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 . . . . 34728 2 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34728 2 3 'HISTONE H3' 'natural abundance' . . 3 $entity_3 . . 1 . . mM . . . . 34728 2 4 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 2 5 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 2 6 'zinc chloride' 'natural abundance' . . . . . . 10 . . uM . . . . 34728 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34728 _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, 1 mM HISTONE H3, 40 mM sodium chloride, 40 mM sodium phosphate, 10 uM zinc chloride, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 . . . . 34728 3 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 34728 3 3 'HISTONE H3' 'natural abundance' . . 3 $entity_3 . . 1 . . mM . . . . 34728 3 4 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 3 5 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 3 6 'zinc chloride' 'natural abundance' . . . . . . 10 . . uM . . . . 34728 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34728 _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, 1 mM HISTONE H3, 40 mM sodium chloride, 40 mM sodium phosphate, 10 uM zinc chloride, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 . . . . 34728 4 2 'HISTONE-LYSINE N-METHYLTRANSFERASE 2A' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34728 4 3 'HISTONE H3' 'natural abundance' . . 3 $entity_3 . . 1 . . mM . . . . 34728 4 4 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 4 5 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34728 4 6 'zinc chloride' 'natural abundance' . . . . . . 10 . . uM . . . . 34728 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 34728 _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 34728 1 pH 7 . pH 34728 1 pressure 1 . atm 34728 1 temperature 310.15 . K 34728 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34728 _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' . . 34728 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34728 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34728 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34728 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34728 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34728 _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 . . 34728 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34728 3 'peak picking' . 34728 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 34728 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34728 _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 . . . 34728 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 34728 _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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 8 '2D F2- FILTERED NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 13 '3D F3-FILTERED- F2-EDITED 13C NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 14 '3D F3-FILTERED- F2-EDITED 13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 15 '2D F2- FILTERED NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 16 '2D F2- FILTERED NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 17 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 18 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 19 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 1 20 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34728 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 34728 _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 . . . . . 34728 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34728 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34728 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 34728 _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' . . . 34728 1 2 '2D 1H-13C HSQC aliphatic' . . . 34728 1 3 '2D 1H-13C HSQC aromatic' . . . 34728 1 4 '3D 1H-15N NOESY' . . . 34728 1 5 '3D 1H-13C NOESY aliphatic' . . . 34728 1 6 '3D 1H-13C NOESY aromatic' . . . 34728 1 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 1 8 '2D F2- FILTERED NOESY' . . . 34728 1 9 '3D 1H-13C NOESY aliphatic' . . . 34728 1 10 '3D 1H-13C NOESY aliphatic' . . . 34728 1 11 '3D 1H-13C NOESY aromatic' . . . 34728 1 12 '3D 1H-13C NOESY aromatic' . . . 34728 1 13 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 1 14 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 1 15 '2D F2- FILTERED NOESY' . . . 34728 1 16 '2D F2- FILTERED NOESY' . . . 34728 1 17 '2D 1H-13C HSQC aliphatic' . . . 34728 1 18 '2D 1H-13C HSQC aliphatic' . . . 34728 1 19 '2D 1H-13C HSQC aromatic' . . . 34728 1 20 '2D 1H-13C HSQC aromatic' . . . 34728 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.083 0.020 . 1 . . . . A -3 ALA HA . 34728 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.492 0.020 . 1 . . . . A -3 ALA HB1 . 34728 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.492 0.020 . 1 . . . . A -3 ALA HB2 . 34728 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.492 0.020 . 1 . . . . A -3 ALA HB3 . 34728 1 5 . 1 . 1 1 1 ALA CA C 13 51.954 0.400 . 1 . . . . A -3 ALA CA . 34728 1 6 . 1 . 1 1 1 ALA CB C 13 19.408 0.400 . 1 . . . . A -3 ALA CB . 34728 1 7 . 1 . 1 2 2 GLY HA2 H 1 3.938 0.020 . 2 . . . . A -2 GLY HA2 . 34728 1 8 . 1 . 1 2 2 GLY HA3 H 1 3.938 0.020 . 2 . . . . A -2 GLY HA3 . 34728 1 9 . 1 . 1 2 2 GLY CA C 13 45.100 0.400 . 1 . . . . A -2 GLY CA . 34728 1 10 . 1 . 1 3 3 HIS HA H 1 4.631 0.020 . 1 . . . . A -1 HIS HA . 34728 1 11 . 1 . 1 3 3 HIS HB2 H 1 3.137 0.020 . 2 . . . . A -1 HIS HB2 . 34728 1 12 . 1 . 1 3 3 HIS HB3 H 1 3.068 0.020 . 2 . . . . A -1 HIS HB3 . 34728 1 13 . 1 . 1 3 3 HIS HD2 H 1 7.087 0.020 . 1 . . . . A -1 HIS HD2 . 34728 1 14 . 1 . 1 3 3 HIS HE1 H 1 8.135 0.020 . 1 . . . . A -1 HIS HE1 . 34728 1 15 . 1 . 1 3 3 HIS CA C 13 55.978 0.400 . 1 . . . . A -1 HIS CA . 34728 1 16 . 1 . 1 3 3 HIS CB C 13 30.194 0.400 . 1 . . . . A -1 HIS CB . 34728 1 17 . 1 . 1 3 3 HIS CD2 C 13 120.018 0.400 . 1 . . . . A -1 HIS CD2 . 34728 1 18 . 1 . 1 3 3 HIS CE1 C 13 137.575 0.400 . 1 . . . . A -1 HIS CE1 . 34728 1 19 . 1 . 1 4 4 MET HB2 H 1 2.024 0.020 . 1 . . . . A 1 MET HB2 . 34728 1 20 . 1 . 1 4 4 MET HB3 H 1 1.945 0.020 . 1 . . . . A 1 MET HB3 . 34728 1 21 . 1 . 1 4 4 MET HG2 H 1 2.507 0.020 . 2 . . . . A 1 MET HG2 . 34728 1 22 . 1 . 1 4 4 MET HG3 H 1 2.442 0.020 . 2 . . . . A 1 MET HG3 . 34728 1 23 . 1 . 1 4 4 MET HE1 H 1 2.052 0.020 . 1 . . . . A 1 MET HE1 . 34728 1 24 . 1 . 1 4 4 MET HE2 H 1 2.052 0.020 . 1 . . . . A 1 MET HE2 . 34728 1 25 . 1 . 1 4 4 MET HE3 H 1 2.052 0.020 . 1 . . . . A 1 MET HE3 . 34728 1 26 . 1 . 1 4 4 MET CB C 13 33.078 0.400 . 1 . . . . A 1 MET CB . 34728 1 27 . 1 . 1 4 4 MET CG C 13 31.933 0.400 . 1 . . . . A 1 MET CG . 34728 1 28 . 1 . 1 4 4 MET CE C 13 17.004 0.400 . 1 . . . . A 1 MET CE . 34728 1 29 . 1 . 1 5 5 ALA H H 1 8.438 0.020 . 1 . . . . A 2 ALA H . 34728 1 30 . 1 . 1 5 5 ALA HA H 1 4.424 0.020 . 1 . . . . A 2 ALA HA . 34728 1 31 . 1 . 1 5 5 ALA HB1 H 1 1.389 0.020 . 1 . . . . A 2 ALA HB1 . 34728 1 32 . 1 . 1 5 5 ALA HB2 H 1 1.389 0.020 . 1 . . . . A 2 ALA HB2 . 34728 1 33 . 1 . 1 5 5 ALA HB3 H 1 1.389 0.020 . 1 . . . . A 2 ALA HB3 . 34728 1 34 . 1 . 1 5 5 ALA CA C 13 55.414 0.400 . 1 . . . . A 2 ALA CA . 34728 1 35 . 1 . 1 5 5 ALA CB C 13 19.354 0.400 . 1 . . . . A 2 ALA CB . 34728 1 36 . 1 . 1 5 5 ALA N N 15 125.818 0.400 . 1 . . . . A 2 ALA N . 34728 1 37 . 1 . 1 7 7 THR H H 1 8.156 0.020 . 1 . . . . A 4 THR H . 34728 1 38 . 1 . 1 7 7 THR HA H 1 4.479 0.020 . 1 . . . . A 4 THR HA . 34728 1 39 . 1 . 1 7 7 THR HB H 1 4.290 0.020 . 1 . . . . A 4 THR HB . 34728 1 40 . 1 . 1 7 7 THR HG21 H 1 1.240 0.020 . 1 . . . . A 4 THR HG21 . 34728 1 41 . 1 . 1 7 7 THR HG22 H 1 1.240 0.020 . 1 . . . . A 4 THR HG22 . 34728 1 42 . 1 . 1 7 7 THR HG23 H 1 1.240 0.020 . 1 . . . . A 4 THR HG23 . 34728 1 43 . 1 . 1 7 7 THR CA C 13 61.314 0.400 . 1 . . . . A 4 THR CA . 34728 1 44 . 1 . 1 7 7 THR CB C 13 70.118 0.400 . 1 . . . . A 4 THR CB . 34728 1 45 . 1 . 1 7 7 THR CG2 C 13 22.129 0.400 . 1 . . . . A 4 THR CG2 . 34728 1 46 . 1 . 1 7 7 THR N N 15 115.279 0.400 . 1 . . . . A 4 THR N . 34728 1 47 . 1 . 1 8 8 LYS H H 1 8.543 0.020 . 1 . . . . A 5 LYS H . 34728 1 48 . 1 . 1 8 8 LYS HA H 1 4.409 0.020 . 1 . . . . A 5 LYS HA . 34728 1 49 . 1 . 1 8 8 LYS HB2 H 1 2.067 0.020 . 2 . . . . A 5 LYS HB2 . 34728 1 50 . 1 . 1 8 8 LYS HB3 H 1 1.825 0.020 . 2 . . . . A 5 LYS HB3 . 34728 1 51 . 1 . 1 8 8 LYS HD2 H 1 1.681 0.020 . 2 . . . . A 5 LYS HD2 . 34728 1 52 . 1 . 1 8 8 LYS HD3 H 1 1.239 0.020 . 2 . . . . A 5 LYS HD3 . 34728 1 53 . 1 . 1 8 8 LYS CA C 13 56.411 0.400 . 1 . . . . A 5 LYS CA . 34728 1 54 . 1 . 1 8 8 LYS CB C 13 31.885 0.400 . 1 . . . . A 5 LYS CB . 34728 1 55 . 1 . 1 8 8 LYS CD C 13 27.671 0.400 . 1 . . . . A 5 LYS CD . 34728 1 56 . 1 . 1 8 8 LYS N N 15 121.320 0.400 . 1 . . . . A 5 LYS N . 34728 1 57 . 1 . 1 9 9 ARG HD2 H 1 3.164 0.020 . 1 . . . . A 6 ARG HD2 . 34728 1 58 . 1 . 1 9 9 ARG HD3 H 1 3.399 0.020 . 1 . . . . A 6 ARG HD3 . 34728 1 59 . 1 . 1 9 9 ARG HE H 1 7.199 0.020 . 1 . . . . A 6 ARG HE . 34728 1 60 . 1 . 1 9 9 ARG CD C 13 43.654 0.400 . 1 . . . . A 6 ARG CD . 34728 1 61 . 1 . 1 9 9 ARG NE N 15 84.705 0.400 . 1 . . . . A 6 ARG NE . 34728 1 62 . 1 . 1 10 10 VAL HG11 H 1 0.751 0.020 . 2 . . . . A 7 VAL HG11 . 34728 1 63 . 1 . 1 10 10 VAL HG12 H 1 0.751 0.020 . 2 . . . . A 7 VAL HG12 . 34728 1 64 . 1 . 1 10 10 VAL HG13 H 1 0.751 0.020 . 2 . . . . A 7 VAL HG13 . 34728 1 65 . 1 . 1 10 10 VAL HG21 H 1 0.751 0.020 . 2 . . . . A 7 VAL HG21 . 34728 1 66 . 1 . 1 10 10 VAL HG22 H 1 0.751 0.020 . 2 . . . . A 7 VAL HG22 . 34728 1 67 . 1 . 1 10 10 VAL HG23 H 1 0.751 0.020 . 2 . . . . A 7 VAL HG23 . 34728 1 68 . 1 . 1 10 10 VAL CG1 C 13 21.398 0.400 . 1 . . . . A 7 VAL CG1 . 34728 1 69 . 1 . 1 11 11 LEU H H 1 9.597 0.020 . 1 . . . . A 8 LEU H . 34728 1 70 . 1 . 1 11 11 LEU HA H 1 4.892 0.020 . 1 . . . . A 8 LEU HA . 34728 1 71 . 1 . 1 11 11 LEU HB2 H 1 1.700 0.020 . 1 . . . . A 8 LEU HB2 . 34728 1 72 . 1 . 1 11 11 LEU HB3 H 1 1.253 0.020 . 1 . . . . A 8 LEU HB3 . 34728 1 73 . 1 . 1 11 11 LEU HG H 1 1.812 0.020 . 1 . . . . A 8 LEU HG . 34728 1 74 . 1 . 1 11 11 LEU HD11 H 1 0.693 0.020 . 2 . . . . A 8 LEU HD11 . 34728 1 75 . 1 . 1 11 11 LEU HD12 H 1 0.693 0.020 . 2 . . . . A 8 LEU HD12 . 34728 1 76 . 1 . 1 11 11 LEU HD13 H 1 0.693 0.020 . 2 . . . . A 8 LEU HD13 . 34728 1 77 . 1 . 1 11 11 LEU HD21 H 1 0.848 0.020 . 2 . . . . A 8 LEU HD21 . 34728 1 78 . 1 . 1 11 11 LEU HD22 H 1 0.848 0.020 . 2 . . . . A 8 LEU HD22 . 34728 1 79 . 1 . 1 11 11 LEU HD23 H 1 0.848 0.020 . 2 . . . . A 8 LEU HD23 . 34728 1 80 . 1 . 1 11 11 LEU CA C 13 53.554 0.400 . 1 . . . . A 8 LEU CA . 34728 1 81 . 1 . 1 11 11 LEU CB C 13 42.969 0.400 . 1 . . . . A 8 LEU CB . 34728 1 82 . 1 . 1 11 11 LEU CG C 13 26.884 0.400 . 1 . . . . A 8 LEU CG . 34728 1 83 . 1 . 1 11 11 LEU CD1 C 13 25.038 0.400 . 1 . . . . A 8 LEU CD1 . 34728 1 84 . 1 . 1 11 11 LEU CD2 C 13 26.629 0.400 . 1 . . . . A 8 LEU CD2 . 34728 1 85 . 1 . 1 11 11 LEU N N 15 126.890 0.400 . 1 . . . . A 8 LEU N . 34728 1 86 . 1 . 1 12 12 TYR H H 1 9.191 0.020 . 1 . . . . A 9 TYR H . 34728 1 87 . 1 . 1 12 12 TYR HA H 1 4.465 0.020 . 1 . . . . A 9 TYR HA . 34728 1 88 . 1 . 1 12 12 TYR HB2 H 1 2.803 0.020 . 1 . . . . A 9 TYR HB2 . 34728 1 89 . 1 . 1 12 12 TYR HB3 H 1 2.921 0.020 . 1 . . . . A 9 TYR HB3 . 34728 1 90 . 1 . 1 12 12 TYR HD1 H 1 6.855 0.020 . 1 . . . . A 9 TYR HD1 . 34728 1 91 . 1 . 1 12 12 TYR HD2 H 1 6.855 0.020 . 1 . . . . A 9 TYR HD2 . 34728 1 92 . 1 . 1 12 12 TYR HE1 H 1 6.202 0.020 . 1 . . . . A 9 TYR HE1 . 34728 1 93 . 1 . 1 12 12 TYR HE2 H 1 6.202 0.020 . 1 . . . . A 9 TYR HE2 . 34728 1 94 . 1 . 1 12 12 TYR CA C 13 58.708 0.400 . 1 . . . . A 9 TYR CA . 34728 1 95 . 1 . 1 12 12 TYR CB C 13 39.876 0.400 . 1 . . . . A 9 TYR CB . 34728 1 96 . 1 . 1 12 12 TYR CD1 C 13 133.537 0.400 . 1 . . . . A 9 TYR CD1 . 34728 1 97 . 1 . 1 12 12 TYR CE1 C 13 117.744 0.400 . 1 . . . . A 9 TYR CE1 . 34728 1 98 . 1 . 1 12 12 TYR N N 15 123.791 0.400 . 1 . . . . A 9 TYR N . 34728 1 99 . 1 . 1 13 13 VAL H H 1 7.985 0.020 . 1 . . . . A 10 VAL H . 34728 1 100 . 1 . 1 13 13 VAL HA H 1 4.729 0.020 . 1 . . . . A 10 VAL HA . 34728 1 101 . 1 . 1 13 13 VAL HB H 1 1.524 0.020 . 1 . . . . A 10 VAL HB . 34728 1 102 . 1 . 1 13 13 VAL HG11 H 1 0.777 0.020 . 2 . . . . A 10 VAL HG11 . 34728 1 103 . 1 . 1 13 13 VAL HG12 H 1 0.777 0.020 . 2 . . . . A 10 VAL HG12 . 34728 1 104 . 1 . 1 13 13 VAL HG13 H 1 0.777 0.020 . 2 . . . . A 10 VAL HG13 . 34728 1 105 . 1 . 1 13 13 VAL HG21 H 1 0.498 0.020 . 2 . . . . A 10 VAL HG21 . 34728 1 106 . 1 . 1 13 13 VAL HG22 H 1 0.498 0.020 . 2 . . . . A 10 VAL HG22 . 34728 1 107 . 1 . 1 13 13 VAL HG23 H 1 0.498 0.020 . 2 . . . . A 10 VAL HG23 . 34728 1 108 . 1 . 1 13 13 VAL CA C 13 60.032 0.400 . 1 . . . . A 10 VAL CA . 34728 1 109 . 1 . 1 13 13 VAL CB C 13 32.974 0.400 . 1 . . . . A 10 VAL CB . 34728 1 110 . 1 . 1 13 13 VAL CG1 C 13 22.244 0.400 . 1 . . . . A 10 VAL CG1 . 34728 1 111 . 1 . 1 13 13 VAL CG2 C 13 21.097 0.400 . 1 . . . . A 10 VAL CG2 . 34728 1 112 . 1 . 1 13 13 VAL N N 15 127.264 0.400 . 1 . . . . A 10 VAL N . 34728 1 113 . 1 . 1 14 14 GLY H H 1 9.194 0.020 . 1 . . . . A 11 GLY H . 34728 1 114 . 1 . 1 14 14 GLY HA2 H 1 4.914 0.020 . 2 . . . . A 11 GLY HA2 . 34728 1 115 . 1 . 1 14 14 GLY HA3 H 1 3.597 0.020 . 2 . . . . A 11 GLY HA3 . 34728 1 116 . 1 . 1 14 14 GLY CA C 13 42.988 0.400 . 1 . . . . A 11 GLY CA . 34728 1 117 . 1 . 1 14 14 GLY N N 15 112.315 0.400 . 1 . . . . A 11 GLY N . 34728 1 118 . 1 . 1 15 15 GLY H H 1 8.030 0.020 . 1 . . . . A 12 GLY H . 34728 1 119 . 1 . 1 15 15 GLY HA2 H 1 4.386 0.020 . 1 . . . . A 12 GLY HA2 . 34728 1 120 . 1 . 1 15 15 GLY HA3 H 1 3.750 0.020 . 1 . . . . A 12 GLY HA3 . 34728 1 121 . 1 . 1 15 15 GLY CA C 13 45.891 0.400 . 1 . . . . A 12 GLY CA . 34728 1 122 . 1 . 1 15 15 GLY N N 15 107.491 0.400 . 1 . . . . A 12 GLY N . 34728 1 123 . 1 . 1 16 16 LEU H H 1 8.075 0.020 . 1 . . . . A 13 LEU H . 34728 1 124 . 1 . 1 16 16 LEU HA H 1 4.052 0.020 . 1 . . . . A 13 LEU HA . 34728 1 125 . 1 . 1 16 16 LEU HB2 H 1 1.098 0.020 . 1 . . . . A 13 LEU HB2 . 34728 1 126 . 1 . 1 16 16 LEU HB3 H 1 0.818 0.020 . 1 . . . . A 13 LEU HB3 . 34728 1 127 . 1 . 1 16 16 LEU HG H 1 1.263 0.020 . 1 . . . . A 13 LEU HG . 34728 1 128 . 1 . 1 16 16 LEU HD11 H 1 0.515 0.020 . 2 . . . . A 13 LEU HD11 . 34728 1 129 . 1 . 1 16 16 LEU HD12 H 1 0.515 0.020 . 2 . . . . A 13 LEU HD12 . 34728 1 130 . 1 . 1 16 16 LEU HD13 H 1 0.515 0.020 . 2 . . . . A 13 LEU HD13 . 34728 1 131 . 1 . 1 16 16 LEU HD21 H 1 0.142 0.020 . 2 . . . . A 13 LEU HD21 . 34728 1 132 . 1 . 1 16 16 LEU HD22 H 1 0.142 0.020 . 2 . . . . A 13 LEU HD22 . 34728 1 133 . 1 . 1 16 16 LEU HD23 H 1 0.142 0.020 . 2 . . . . A 13 LEU HD23 . 34728 1 134 . 1 . 1 16 16 LEU CA C 13 53.844 0.400 . 1 . . . . A 13 LEU CA . 34728 1 135 . 1 . 1 16 16 LEU CB C 13 42.278 0.400 . 1 . . . . A 13 LEU CB . 34728 1 136 . 1 . 1 16 16 LEU CG C 13 26.097 0.400 . 1 . . . . A 13 LEU CG . 34728 1 137 . 1 . 1 16 16 LEU CD1 C 13 22.413 0.400 . 1 . . . . A 13 LEU CD1 . 34728 1 138 . 1 . 1 16 16 LEU CD2 C 13 25.605 0.400 . 1 . . . . A 13 LEU CD2 . 34728 1 139 . 1 . 1 16 16 LEU N N 15 116.349 0.400 . 1 . . . . A 13 LEU N . 34728 1 140 . 1 . 1 17 17 ALA H H 1 8.481 0.020 . 1 . . . . A 14 ALA H . 34728 1 141 . 1 . 1 17 17 ALA HA H 1 4.264 0.020 . 1 . . . . A 14 ALA HA . 34728 1 142 . 1 . 1 17 17 ALA HB1 H 1 1.639 0.020 . 1 . . . . A 14 ALA HB1 . 34728 1 143 . 1 . 1 17 17 ALA HB2 H 1 1.639 0.020 . 1 . . . . A 14 ALA HB2 . 34728 1 144 . 1 . 1 17 17 ALA HB3 H 1 1.639 0.020 . 1 . . . . A 14 ALA HB3 . 34728 1 145 . 1 . 1 17 17 ALA CA C 13 51.488 0.400 . 1 . . . . A 14 ALA CA . 34728 1 146 . 1 . 1 17 17 ALA CB C 13 19.684 0.400 . 1 . . . . A 14 ALA CB . 34728 1 147 . 1 . 1 17 17 ALA N N 15 126.685 0.400 . 1 . . . . A 14 ALA N . 34728 1 148 . 1 . 1 18 18 GLU H H 1 9.034 0.020 . 1 . . . . A 15 GLU H . 34728 1 149 . 1 . 1 18 18 GLU HA H 1 3.587 0.020 . 1 . . . . A 15 GLU HA . 34728 1 150 . 1 . 1 18 18 GLU HB2 H 1 1.827 0.020 . 1 . . . . A 15 GLU HB2 . 34728 1 151 . 1 . 1 18 18 GLU HB3 H 1 1.936 0.020 . 1 . . . . A 15 GLU HB3 . 34728 1 152 . 1 . 1 18 18 GLU HG2 H 1 2.186 0.020 . 2 . . . . A 15 GLU HG2 . 34728 1 153 . 1 . 1 18 18 GLU HG3 H 1 2.186 0.020 . 2 . . . . A 15 GLU HG3 . 34728 1 154 . 1 . 1 18 18 GLU CA C 13 60.021 0.400 . 1 . . . . A 15 GLU CA . 34728 1 155 . 1 . 1 18 18 GLU CB C 13 29.571 0.400 . 1 . . . . A 15 GLU CB . 34728 1 156 . 1 . 1 18 18 GLU CG C 13 36.684 0.400 . 1 . . . . A 15 GLU CG . 34728 1 157 . 1 . 1 18 18 GLU N N 15 122.515 0.400 . 1 . . . . A 15 GLU N . 34728 1 158 . 1 . 1 19 19 GLU H H 1 8.969 0.020 . 1 . . . . A 16 GLU H . 34728 1 159 . 1 . 1 19 19 GLU HA H 1 3.954 0.020 . 1 . . . . A 16 GLU HA . 34728 1 160 . 1 . 1 19 19 GLU HB2 H 1 1.748 0.020 . 1 . . . . A 16 GLU HB2 . 34728 1 161 . 1 . 1 19 19 GLU HB3 H 1 1.469 0.020 . 1 . . . . A 16 GLU HB3 . 34728 1 162 . 1 . 1 19 19 GLU HG2 H 1 2.077 0.020 . 1 . . . . A 16 GLU HG2 . 34728 1 163 . 1 . 1 19 19 GLU HG3 H 1 2.228 0.020 . 1 . . . . A 16 GLU HG3 . 34728 1 164 . 1 . 1 19 19 GLU CA C 13 58.085 0.400 . 1 . . . . A 16 GLU CA . 34728 1 165 . 1 . 1 19 19 GLU CB C 13 29.105 0.400 . 1 . . . . A 16 GLU CB . 34728 1 166 . 1 . 1 19 19 GLU CG C 13 36.996 0.400 . 1 . . . . A 16 GLU CG . 34728 1 167 . 1 . 1 19 19 GLU N N 15 114.271 0.400 . 1 . . . . A 16 GLU N . 34728 1 168 . 1 . 1 20 20 VAL H H 1 7.526 0.020 . 1 . . . . A 17 VAL H . 34728 1 169 . 1 . 1 20 20 VAL HA H 1 3.092 0.020 . 1 . . . . A 17 VAL HA . 34728 1 170 . 1 . 1 20 20 VAL HB H 1 2.062 0.020 . 1 . . . . A 17 VAL HB . 34728 1 171 . 1 . 1 20 20 VAL HG11 H 1 0.726 0.020 . 2 . . . . A 17 VAL HG11 . 34728 1 172 . 1 . 1 20 20 VAL HG12 H 1 0.726 0.020 . 2 . . . . A 17 VAL HG12 . 34728 1 173 . 1 . 1 20 20 VAL HG13 H 1 0.726 0.020 . 2 . . . . A 17 VAL HG13 . 34728 1 174 . 1 . 1 20 20 VAL HG21 H 1 0.804 0.020 . 2 . . . . A 17 VAL HG21 . 34728 1 175 . 1 . 1 20 20 VAL HG22 H 1 0.804 0.020 . 2 . . . . A 17 VAL HG22 . 34728 1 176 . 1 . 1 20 20 VAL HG23 H 1 0.804 0.020 . 2 . . . . A 17 VAL HG23 . 34728 1 177 . 1 . 1 20 20 VAL CA C 13 65.513 0.400 . 1 . . . . A 17 VAL CA . 34728 1 178 . 1 . 1 20 20 VAL CB C 13 30.650 0.400 . 1 . . . . A 17 VAL CB . 34728 1 179 . 1 . 1 20 20 VAL CG1 C 13 22.216 0.400 . 1 . . . . A 17 VAL CG1 . 34728 1 180 . 1 . 1 20 20 VAL CG2 C 13 23.188 0.400 . 1 . . . . A 17 VAL CG2 . 34728 1 181 . 1 . 1 20 20 VAL N N 15 119.043 0.400 . 1 . . . . A 17 VAL N . 34728 1 182 . 1 . 1 21 21 ASP H H 1 6.745 0.020 . 1 . . . . A 18 ASP H . 34728 1 183 . 1 . 1 21 21 ASP HA H 1 4.651 0.020 . 1 . . . . A 18 ASP HA . 34728 1 184 . 1 . 1 21 21 ASP HB2 H 1 2.721 0.020 . 1 . . . . A 18 ASP HB2 . 34728 1 185 . 1 . 1 21 21 ASP HB3 H 1 3.166 0.020 . 1 . . . . A 18 ASP HB3 . 34728 1 186 . 1 . 1 21 21 ASP CA C 13 51.436 0.400 . 1 . . . . A 18 ASP CA . 34728 1 187 . 1 . 1 21 21 ASP CB C 13 42.846 0.400 . 1 . . . . A 18 ASP CB . 34728 1 188 . 1 . 1 21 21 ASP N N 15 125.850 0.400 . 1 . . . . A 18 ASP N . 34728 1 189 . 1 . 1 22 22 ASP H H 1 8.770 0.020 . 1 . . . . A 19 ASP H . 34728 1 190 . 1 . 1 22 22 ASP HA H 1 3.921 0.020 . 1 . . . . A 19 ASP HA . 34728 1 191 . 1 . 1 22 22 ASP HB2 H 1 2.590 0.020 . 2 . . . . A 19 ASP HB2 . 34728 1 192 . 1 . 1 22 22 ASP HB3 H 1 2.564 0.020 . 2 . . . . A 19 ASP HB3 . 34728 1 193 . 1 . 1 22 22 ASP CA C 13 57.651 0.400 . 1 . . . . A 19 ASP CA . 34728 1 194 . 1 . 1 22 22 ASP CB C 13 39.526 0.400 . 1 . . . . A 19 ASP CB . 34728 1 195 . 1 . 1 22 22 ASP N N 15 116.124 0.400 . 1 . . . . A 19 ASP N . 34728 1 196 . 1 . 1 23 23 LYS H H 1 7.572 0.020 . 1 . . . . A 20 LYS H . 34728 1 197 . 1 . 1 23 23 LYS HA H 1 4.056 0.020 . 1 . . . . A 20 LYS HA . 34728 1 198 . 1 . 1 23 23 LYS HB2 H 1 1.871 0.020 . 1 . . . . A 20 LYS HB2 . 34728 1 199 . 1 . 1 23 23 LYS HB3 H 1 2.119 0.020 . 1 . . . . A 20 LYS HB3 . 34728 1 200 . 1 . 1 23 23 LYS HG2 H 1 1.522 0.020 . 1 . . . . A 20 LYS HG2 . 34728 1 201 . 1 . 1 23 23 LYS HG3 H 1 1.431 0.020 . 1 . . . . A 20 LYS HG3 . 34728 1 202 . 1 . 1 23 23 LYS HD2 H 1 1.661 0.020 . 2 . . . . A 20 LYS HD2 . 34728 1 203 . 1 . 1 23 23 LYS HD3 H 1 1.661 0.020 . 2 . . . . A 20 LYS HD3 . 34728 1 204 . 1 . 1 23 23 LYS HE2 H 1 3.007 0.020 . 2 . . . . A 20 LYS HE2 . 34728 1 205 . 1 . 1 23 23 LYS HE3 H 1 3.007 0.020 . 2 . . . . A 20 LYS HE3 . 34728 1 206 . 1 . 1 23 23 LYS CA C 13 59.488 0.400 . 1 . . . . A 20 LYS CA . 34728 1 207 . 1 . 1 23 23 LYS CB C 13 31.549 0.400 . 1 . . . . A 20 LYS CB . 34728 1 208 . 1 . 1 23 23 LYS CG C 13 25.179 0.400 . 1 . . . . A 20 LYS CG . 34728 1 209 . 1 . 1 23 23 LYS CD C 13 28.899 0.400 . 1 . . . . A 20 LYS CD . 34728 1 210 . 1 . 1 23 23 LYS CE C 13 42.012 0.400 . 1 . . . . A 20 LYS CE . 34728 1 211 . 1 . 1 23 23 LYS N N 15 121.234 0.400 . 1 . . . . A 20 LYS N . 34728 1 212 . 1 . 1 24 24 VAL H H 1 8.267 0.020 . 1 . . . . A 21 VAL H . 34728 1 213 . 1 . 1 24 24 VAL HA H 1 3.793 0.020 . 1 . . . . A 21 VAL HA . 34728 1 214 . 1 . 1 24 24 VAL HB H 1 2.174 0.020 . 1 . . . . A 21 VAL HB . 34728 1 215 . 1 . 1 24 24 VAL HG11 H 1 0.960 0.020 . 2 . . . . A 21 VAL HG11 . 34728 1 216 . 1 . 1 24 24 VAL HG12 H 1 0.960 0.020 . 2 . . . . A 21 VAL HG12 . 34728 1 217 . 1 . 1 24 24 VAL HG13 H 1 0.960 0.020 . 2 . . . . A 21 VAL HG13 . 34728 1 218 . 1 . 1 24 24 VAL HG21 H 1 1.258 0.020 . 2 . . . . A 21 VAL HG21 . 34728 1 219 . 1 . 1 24 24 VAL HG22 H 1 1.258 0.020 . 2 . . . . A 21 VAL HG22 . 34728 1 220 . 1 . 1 24 24 VAL HG23 H 1 1.258 0.020 . 2 . . . . A 21 VAL HG23 . 34728 1 221 . 1 . 1 24 24 VAL CA C 13 65.963 0.400 . 1 . . . . A 21 VAL CA . 34728 1 222 . 1 . 1 24 24 VAL CB C 13 32.479 0.400 . 1 . . . . A 21 VAL CB . 34728 1 223 . 1 . 1 24 24 VAL CG1 C 13 22.501 0.400 . 1 . . . . A 21 VAL CG1 . 34728 1 224 . 1 . 1 24 24 VAL CG2 C 13 22.483 0.400 . 1 . . . . A 21 VAL CG2 . 34728 1 225 . 1 . 1 24 24 VAL N N 15 122.235 0.400 . 1 . . . . A 21 VAL N . 34728 1 226 . 1 . 1 25 25 LEU H H 1 8.011 0.020 . 1 . . . . A 22 LEU H . 34728 1 227 . 1 . 1 25 25 LEU HA H 1 4.061 0.020 . 1 . . . . A 22 LEU HA . 34728 1 228 . 1 . 1 25 25 LEU HB2 H 1 1.165 0.020 . 1 . . . . A 22 LEU HB2 . 34728 1 229 . 1 . 1 25 25 LEU HB3 H 1 1.811 0.020 . 1 . . . . A 22 LEU HB3 . 34728 1 230 . 1 . 1 25 25 LEU HG H 1 1.522 0.020 . 1 . . . . A 22 LEU HG . 34728 1 231 . 1 . 1 25 25 LEU HD11 H 1 0.608 0.020 . 2 . . . . A 22 LEU HD11 . 34728 1 232 . 1 . 1 25 25 LEU HD12 H 1 0.608 0.020 . 2 . . . . A 22 LEU HD12 . 34728 1 233 . 1 . 1 25 25 LEU HD13 H 1 0.608 0.020 . 2 . . . . A 22 LEU HD13 . 34728 1 234 . 1 . 1 25 25 LEU HD21 H 1 0.372 0.020 . 2 . . . . A 22 LEU HD21 . 34728 1 235 . 1 . 1 25 25 LEU HD22 H 1 0.372 0.020 . 2 . . . . A 22 LEU HD22 . 34728 1 236 . 1 . 1 25 25 LEU HD23 H 1 0.372 0.020 . 2 . . . . A 22 LEU HD23 . 34728 1 237 . 1 . 1 25 25 LEU CA C 13 58.054 0.400 . 1 . . . . A 22 LEU CA . 34728 1 238 . 1 . 1 25 25 LEU CB C 13 42.556 0.400 . 1 . . . . A 22 LEU CB . 34728 1 239 . 1 . 1 25 25 LEU CG C 13 26.468 0.400 . 1 . . . . A 22 LEU CG . 34728 1 240 . 1 . 1 25 25 LEU CD1 C 13 23.247 0.400 . 1 . . . . A 22 LEU CD1 . 34728 1 241 . 1 . 1 25 25 LEU CD2 C 13 26.009 0.400 . 1 . . . . A 22 LEU CD2 . 34728 1 242 . 1 . 1 25 25 LEU N N 15 118.377 0.400 . 1 . . . . A 22 LEU N . 34728 1 243 . 1 . 1 26 26 HIS H H 1 8.688 0.020 . 1 . . . . A 23 HIS H . 34728 1 244 . 1 . 1 26 26 HIS HA H 1 3.813 0.020 . 1 . . . . A 23 HIS HA . 34728 1 245 . 1 . 1 26 26 HIS HB2 H 1 3.256 0.020 . 1 . . . . A 23 HIS HB2 . 34728 1 246 . 1 . 1 26 26 HIS HB3 H 1 3.164 0.020 . 1 . . . . A 23 HIS HB3 . 34728 1 247 . 1 . 1 26 26 HIS HD2 H 1 6.956 0.020 . 1 . . . . A 23 HIS HD2 . 34728 1 248 . 1 . 1 26 26 HIS HE1 H 1 8.095 0.020 . 1 . . . . A 23 HIS HE1 . 34728 1 249 . 1 . 1 26 26 HIS CA C 13 61.703 0.400 . 1 . . . . A 23 HIS CA . 34728 1 250 . 1 . 1 26 26 HIS CB C 13 29.770 0.400 . 1 . . . . A 23 HIS CB . 34728 1 251 . 1 . 1 26 26 HIS CD2 C 13 119.117 0.400 . 1 . . . . A 23 HIS CD2 . 34728 1 252 . 1 . 1 26 26 HIS CE1 C 13 137.610 0.400 . 1 . . . . A 23 HIS CE1 . 34728 1 253 . 1 . 1 26 26 HIS N N 15 118.803 0.400 . 1 . . . . A 23 HIS N . 34728 1 254 . 1 . 1 27 27 ALA H H 1 7.824 0.020 . 1 . . . . A 24 ALA H . 34728 1 255 . 1 . 1 27 27 ALA HA H 1 4.134 0.020 . 1 . . . . A 24 ALA HA . 34728 1 256 . 1 . 1 27 27 ALA HB1 H 1 1.554 0.020 . 1 . . . . A 24 ALA HB1 . 34728 1 257 . 1 . 1 27 27 ALA HB2 H 1 1.554 0.020 . 1 . . . . A 24 ALA HB2 . 34728 1 258 . 1 . 1 27 27 ALA HB3 H 1 1.554 0.020 . 1 . . . . A 24 ALA HB3 . 34728 1 259 . 1 . 1 27 27 ALA CA C 13 54.863 0.400 . 1 . . . . A 24 ALA CA . 34728 1 260 . 1 . 1 27 27 ALA CB C 13 18.201 0.400 . 1 . . . . A 24 ALA CB . 34728 1 261 . 1 . 1 27 27 ALA N N 15 118.014 0.400 . 1 . . . . A 24 ALA N . 34728 1 262 . 1 . 1 28 28 ALA H H 1 7.921 0.020 . 1 . . . . A 25 ALA H . 34728 1 263 . 1 . 1 28 28 ALA HA H 1 4.137 0.020 . 1 . . . . A 25 ALA HA . 34728 1 264 . 1 . 1 28 28 ALA HB1 H 1 1.327 0.020 . 1 . . . . A 25 ALA HB1 . 34728 1 265 . 1 . 1 28 28 ALA HB2 H 1 1.327 0.020 . 1 . . . . A 25 ALA HB2 . 34728 1 266 . 1 . 1 28 28 ALA HB3 H 1 1.327 0.020 . 1 . . . . A 25 ALA HB3 . 34728 1 267 . 1 . 1 28 28 ALA CA C 13 53.651 0.400 . 1 . . . . A 25 ALA CA . 34728 1 268 . 1 . 1 28 28 ALA CB C 13 18.753 0.400 . 1 . . . . A 25 ALA CB . 34728 1 269 . 1 . 1 28 28 ALA N N 15 117.264 0.400 . 1 . . . . A 25 ALA N . 34728 1 270 . 1 . 1 29 29 PHE H H 1 7.807 0.020 . 1 . . . . A 26 PHE H . 34728 1 271 . 1 . 1 29 29 PHE HA H 1 4.961 0.020 . 1 . . . . A 26 PHE HA . 34728 1 272 . 1 . 1 29 29 PHE HB2 H 1 2.871 0.020 . 1 . . . . A 26 PHE HB2 . 34728 1 273 . 1 . 1 29 29 PHE HB3 H 1 3.418 0.020 . 1 . . . . A 26 PHE HB3 . 34728 1 274 . 1 . 1 29 29 PHE HD1 H 1 7.702 0.020 . 1 . . . . A 26 PHE HD1 . 34728 1 275 . 1 . 1 29 29 PHE HD2 H 1 7.702 0.020 . 1 . . . . A 26 PHE HD2 . 34728 1 276 . 1 . 1 29 29 PHE HE1 H 1 6.892 0.020 . 1 . . . . A 26 PHE HE1 . 34728 1 277 . 1 . 1 29 29 PHE HE2 H 1 6.892 0.020 . 1 . . . . A 26 PHE HE2 . 34728 1 278 . 1 . 1 29 29 PHE HZ H 1 6.909 0.020 . 1 . . . . A 26 PHE HZ . 34728 1 279 . 1 . 1 29 29 PHE CA C 13 60.365 0.400 . 1 . . . . A 26 PHE CA . 34728 1 280 . 1 . 1 29 29 PHE CB C 13 40.567 0.400 . 1 . . . . A 26 PHE CB . 34728 1 281 . 1 . 1 29 29 PHE CD1 C 13 131.757 0.400 . 1 . . . . A 26 PHE CD1 . 34728 1 282 . 1 . 1 29 29 PHE CE1 C 13 130.235 0.400 . 1 . . . . A 26 PHE CE1 . 34728 1 283 . 1 . 1 29 29 PHE CZ C 13 128.814 0.400 . 1 . . . . A 26 PHE CZ . 34728 1 284 . 1 . 1 29 29 PHE N N 15 111.840 0.400 . 1 . . . . A 26 PHE N . 34728 1 285 . 1 . 1 30 30 ILE H H 1 8.501 0.020 . 1 . . . . A 27 ILE H . 34728 1 286 . 1 . 1 30 30 ILE HA H 1 4.687 0.020 . 1 . . . . A 27 ILE HA . 34728 1 287 . 1 . 1 30 30 ILE HB H 1 1.605 0.020 . 1 . . . . A 27 ILE HB . 34728 1 288 . 1 . 1 30 30 ILE HG12 H 1 1.418 0.020 . 1 . . . . A 27 ILE HG12 . 34728 1 289 . 1 . 1 30 30 ILE HG13 H 1 1.312 0.020 . 1 . . . . A 27 ILE HG13 . 34728 1 290 . 1 . 1 30 30 ILE HG21 H 1 0.941 0.020 . 1 . . . . A 27 ILE HG21 . 34728 1 291 . 1 . 1 30 30 ILE HG22 H 1 0.941 0.020 . 1 . . . . A 27 ILE HG22 . 34728 1 292 . 1 . 1 30 30 ILE HG23 H 1 0.941 0.020 . 1 . . . . A 27 ILE HG23 . 34728 1 293 . 1 . 1 30 30 ILE HD11 H 1 1.066 0.020 . 1 . . . . A 27 ILE HD11 . 34728 1 294 . 1 . 1 30 30 ILE HD12 H 1 1.066 0.020 . 1 . . . . A 27 ILE HD12 . 34728 1 295 . 1 . 1 30 30 ILE HD13 H 1 1.066 0.020 . 1 . . . . A 27 ILE HD13 . 34728 1 296 . 1 . 1 30 30 ILE CA C 13 60.820 0.400 . 1 . . . . A 27 ILE CA . 34728 1 297 . 1 . 1 30 30 ILE CB C 13 38.542 0.400 . 1 . . . . A 27 ILE CB . 34728 1 298 . 1 . 1 30 30 ILE CG1 C 13 29.655 0.400 . 1 . . . . A 27 ILE CG1 . 34728 1 299 . 1 . 1 30 30 ILE CG2 C 13 19.463 0.400 . 1 . . . . A 27 ILE CG2 . 34728 1 300 . 1 . 1 30 30 ILE CD1 C 13 14.628 0.400 . 1 . . . . A 27 ILE CD1 . 34728 1 301 . 1 . 1 30 30 ILE N N 15 123.167 0.400 . 1 . . . . A 27 ILE N . 34728 1 302 . 1 . 1 31 31 PRO HA H 1 4.105 0.020 . 1 . . . . A 28 PRO HA . 34728 1 303 . 1 . 1 31 31 PRO HB2 H 1 0.362 0.020 . 1 . . . . A 28 PRO HB2 . 34728 1 304 . 1 . 1 31 31 PRO HB3 H 1 1.916 0.020 . 1 . . . . A 28 PRO HB3 . 34728 1 305 . 1 . 1 31 31 PRO HG2 H 1 1.624 0.020 . 2 . . . . A 28 PRO HG2 . 34728 1 306 . 1 . 1 31 31 PRO HG3 H 1 1.624 0.020 . 2 . . . . A 28 PRO HG3 . 34728 1 307 . 1 . 1 31 31 PRO HD2 H 1 2.914 0.020 . 1 . . . . A 28 PRO HD2 . 34728 1 308 . 1 . 1 31 31 PRO HD3 H 1 3.764 0.020 . 1 . . . . A 28 PRO HD3 . 34728 1 309 . 1 . 1 31 31 PRO CA C 13 65.369 0.400 . 1 . . . . A 28 PRO CA . 34728 1 310 . 1 . 1 31 31 PRO CB C 13 30.797 0.400 . 1 . . . . A 28 PRO CB . 34728 1 311 . 1 . 1 31 31 PRO CG C 13 28.233 0.400 . 1 . . . . A 28 PRO CG . 34728 1 312 . 1 . 1 31 31 PRO CD C 13 52.200 0.400 . 1 . . . . A 28 PRO CD . 34728 1 313 . 1 . 1 32 32 PHE H H 1 7.501 0.020 . 1 . . . . A 29 PHE H . 34728 1 314 . 1 . 1 32 32 PHE HA H 1 4.167 0.020 . 1 . . . . A 29 PHE HA . 34728 1 315 . 1 . 1 32 32 PHE HB2 H 1 3.277 0.020 . 1 . . . . A 29 PHE HB2 . 34728 1 316 . 1 . 1 32 32 PHE HB3 H 1 2.978 0.020 . 1 . . . . A 29 PHE HB3 . 34728 1 317 . 1 . 1 32 32 PHE HD1 H 1 7.151 0.020 . 1 . . . . A 29 PHE HD1 . 34728 1 318 . 1 . 1 32 32 PHE HD2 H 1 7.151 0.020 . 1 . . . . A 29 PHE HD2 . 34728 1 319 . 1 . 1 32 32 PHE HE1 H 1 7.527 0.020 . 1 . . . . A 29 PHE HE1 . 34728 1 320 . 1 . 1 32 32 PHE HE2 H 1 7.527 0.020 . 1 . . . . A 29 PHE HE2 . 34728 1 321 . 1 . 1 32 32 PHE HZ H 1 7.328 0.020 . 1 . . . . A 29 PHE HZ . 34728 1 322 . 1 . 1 32 32 PHE CA C 13 59.506 0.400 . 1 . . . . A 29 PHE CA . 34728 1 323 . 1 . 1 32 32 PHE CB C 13 38.823 0.400 . 1 . . . . A 29 PHE CB . 34728 1 324 . 1 . 1 32 32 PHE CD1 C 13 131.298 0.400 . 1 . . . . A 29 PHE CD1 . 34728 1 325 . 1 . 1 32 32 PHE CE1 C 13 131.434 0.400 . 1 . . . . A 29 PHE CE1 . 34728 1 326 . 1 . 1 32 32 PHE CZ C 13 131.622 0.400 . 1 . . . . A 29 PHE CZ . 34728 1 327 . 1 . 1 32 32 PHE N N 15 111.960 0.400 . 1 . . . . A 29 PHE N . 34728 1 328 . 1 . 1 33 33 GLY H H 1 7.569 0.020 . 1 . . . . A 30 GLY H . 34728 1 329 . 1 . 1 33 33 GLY HA2 H 1 4.971 0.020 . 1 . . . . A 30 GLY HA2 . 34728 1 330 . 1 . 1 33 33 GLY HA3 H 1 3.735 0.020 . 1 . . . . A 30 GLY HA3 . 34728 1 331 . 1 . 1 33 33 GLY CA C 13 44.361 0.400 . 1 . . . . A 30 GLY CA . 34728 1 332 . 1 . 1 33 33 GLY N N 15 106.056 0.400 . 1 . . . . A 30 GLY N . 34728 1 333 . 1 . 1 34 34 ASP H H 1 8.001 0.020 . 1 . . . . A 31 ASP H . 34728 1 334 . 1 . 1 34 34 ASP HA H 1 4.461 0.020 . 1 . . . . A 31 ASP HA . 34728 1 335 . 1 . 1 34 34 ASP HB2 H 1 2.602 0.020 . 2 . . . . A 31 ASP HB2 . 34728 1 336 . 1 . 1 34 34 ASP HB3 H 1 2.602 0.020 . 2 . . . . A 31 ASP HB3 . 34728 1 337 . 1 . 1 34 34 ASP CA C 13 56.513 0.400 . 1 . . . . A 31 ASP CA . 34728 1 338 . 1 . 1 34 34 ASP CB C 13 41.122 0.400 . 1 . . . . A 31 ASP CB . 34728 1 339 . 1 . 1 34 34 ASP N N 15 114.317 0.400 . 1 . . . . A 31 ASP N . 34728 1 340 . 1 . 1 35 35 ILE H H 1 7.467 0.020 . 1 . . . . A 32 ILE H . 34728 1 341 . 1 . 1 35 35 ILE HA H 1 4.122 0.020 . 1 . . . . A 32 ILE HA . 34728 1 342 . 1 . 1 35 35 ILE HB H 1 1.352 0.020 . 1 . . . . A 32 ILE HB . 34728 1 343 . 1 . 1 35 35 ILE HG12 H 1 1.647 0.020 . 1 . . . . A 32 ILE HG12 . 34728 1 344 . 1 . 1 35 35 ILE HG13 H 1 -0.232 0.020 . 1 . . . . A 32 ILE HG13 . 34728 1 345 . 1 . 1 35 35 ILE HG21 H 1 0.647 0.020 . 1 . . . . A 32 ILE HG21 . 34728 1 346 . 1 . 1 35 35 ILE HG22 H 1 0.647 0.020 . 1 . . . . A 32 ILE HG22 . 34728 1 347 . 1 . 1 35 35 ILE HG23 H 1 0.647 0.020 . 1 . . . . A 32 ILE HG23 . 34728 1 348 . 1 . 1 35 35 ILE HD11 H 1 0.360 0.020 . 1 . . . . A 32 ILE HD11 . 34728 1 349 . 1 . 1 35 35 ILE HD12 H 1 0.360 0.020 . 1 . . . . A 32 ILE HD12 . 34728 1 350 . 1 . 1 35 35 ILE HD13 H 1 0.360 0.020 . 1 . . . . A 32 ILE HD13 . 34728 1 351 . 1 . 1 35 35 ILE CA C 13 60.791 0.400 . 1 . . . . A 32 ILE CA . 34728 1 352 . 1 . 1 35 35 ILE CB C 13 41.705 0.400 . 1 . . . . A 32 ILE CB . 34728 1 353 . 1 . 1 35 35 ILE CG1 C 13 27.575 0.400 . 1 . . . . A 32 ILE CG1 . 34728 1 354 . 1 . 1 35 35 ILE CG2 C 13 17.199 0.400 . 1 . . . . A 32 ILE CG2 . 34728 1 355 . 1 . 1 35 35 ILE CD1 C 13 14.625 0.400 . 1 . . . . A 32 ILE CD1 . 34728 1 356 . 1 . 1 35 35 ILE N N 15 124.599 0.400 . 1 . . . . A 32 ILE N . 34728 1 357 . 1 . 1 36 36 THR H H 1 8.938 0.020 . 1 . . . . A 33 THR H . 34728 1 358 . 1 . 1 36 36 THR HA H 1 4.277 0.020 . 1 . . . . A 33 THR HA . 34728 1 359 . 1 . 1 36 36 THR HB H 1 4.030 0.020 . 1 . . . . A 33 THR HB . 34728 1 360 . 1 . 1 36 36 THR HG21 H 1 1.058 0.020 . 1 . . . . A 33 THR HG21 . 34728 1 361 . 1 . 1 36 36 THR HG22 H 1 1.058 0.020 . 1 . . . . A 33 THR HG22 . 34728 1 362 . 1 . 1 36 36 THR HG23 H 1 1.058 0.020 . 1 . . . . A 33 THR HG23 . 34728 1 363 . 1 . 1 36 36 THR CA C 13 62.692 0.400 . 1 . . . . A 33 THR CA . 34728 1 364 . 1 . 1 36 36 THR CB C 13 68.803 0.400 . 1 . . . . A 33 THR CB . 34728 1 365 . 1 . 1 36 36 THR CG2 C 13 22.574 0.400 . 1 . . . . A 33 THR CG2 . 34728 1 366 . 1 . 1 36 36 THR N N 15 120.850 0.400 . 1 . . . . A 33 THR N . 34728 1 367 . 1 . 1 37 37 ASP H H 1 7.537 0.020 . 1 . . . . A 34 ASP H . 34728 1 368 . 1 . 1 37 37 ASP HA H 1 4.806 0.020 . 1 . . . . A 34 ASP HA . 34728 1 369 . 1 . 1 37 37 ASP HB2 H 1 2.735 0.020 . 2 . . . . A 34 ASP HB2 . 34728 1 370 . 1 . 1 37 37 ASP HB3 H 1 2.325 0.020 . 2 . . . . A 34 ASP HB3 . 34728 1 371 . 1 . 1 37 37 ASP CA C 13 54.900 0.400 . 1 . . . . A 34 ASP CA . 34728 1 372 . 1 . 1 37 37 ASP CB C 13 43.961 0.400 . 1 . . . . A 34 ASP CB . 34728 1 373 . 1 . 1 37 37 ASP N N 15 120.403 0.400 . 1 . . . . A 34 ASP N . 34728 1 374 . 1 . 1 38 38 ILE H H 1 8.128 0.020 . 1 . . . . A 35 ILE H . 34728 1 375 . 1 . 1 38 38 ILE HA H 1 4.627 0.020 . 1 . . . . A 35 ILE HA . 34728 1 376 . 1 . 1 38 38 ILE HB H 1 1.694 0.020 . 1 . . . . A 35 ILE HB . 34728 1 377 . 1 . 1 38 38 ILE HG12 H 1 1.676 0.020 . 1 . . . . A 35 ILE HG12 . 34728 1 378 . 1 . 1 38 38 ILE HG13 H 1 0.884 0.020 . 1 . . . . A 35 ILE HG13 . 34728 1 379 . 1 . 1 38 38 ILE HG21 H 1 0.671 0.020 . 1 . . . . A 35 ILE HG21 . 34728 1 380 . 1 . 1 38 38 ILE HG22 H 1 0.671 0.020 . 1 . . . . A 35 ILE HG22 . 34728 1 381 . 1 . 1 38 38 ILE HG23 H 1 0.671 0.020 . 1 . . . . A 35 ILE HG23 . 34728 1 382 . 1 . 1 38 38 ILE HD11 H 1 0.908 0.020 . 1 . . . . A 35 ILE HD11 . 34728 1 383 . 1 . 1 38 38 ILE HD12 H 1 0.908 0.020 . 1 . . . . A 35 ILE HD12 . 34728 1 384 . 1 . 1 38 38 ILE HD13 H 1 0.908 0.020 . 1 . . . . A 35 ILE HD13 . 34728 1 385 . 1 . 1 38 38 ILE CA C 13 61.684 0.400 . 1 . . . . A 35 ILE CA . 34728 1 386 . 1 . 1 38 38 ILE CB C 13 41.495 0.400 . 1 . . . . A 35 ILE CB . 34728 1 387 . 1 . 1 38 38 ILE CG1 C 13 28.726 0.400 . 1 . . . . A 35 ILE CG1 . 34728 1 388 . 1 . 1 38 38 ILE CG2 C 13 17.018 0.400 . 1 . . . . A 35 ILE CG2 . 34728 1 389 . 1 . 1 38 38 ILE CD1 C 13 13.732 0.400 . 1 . . . . A 35 ILE CD1 . 34728 1 390 . 1 . 1 38 38 ILE N N 15 123.587 0.400 . 1 . . . . A 35 ILE N . 34728 1 391 . 1 . 1 39 39 GLN H H 1 9.058 0.020 . 1 . . . . A 36 GLN H . 34728 1 392 . 1 . 1 39 39 GLN HA H 1 4.596 0.020 . 1 . . . . A 36 GLN HA . 34728 1 393 . 1 . 1 39 39 GLN HB2 H 1 2.635 0.020 . 2 . . . . A 36 GLN HB2 . 34728 1 394 . 1 . 1 39 39 GLN HB3 H 1 2.243 0.020 . 2 . . . . A 36 GLN HB3 . 34728 1 395 . 1 . 1 39 39 GLN HG2 H 1 2.259 0.020 . 2 . . . . A 36 GLN HG2 . 34728 1 396 . 1 . 1 39 39 GLN HG3 H 1 2.259 0.020 . 2 . . . . A 36 GLN HG3 . 34728 1 397 . 1 . 1 39 39 GLN HE21 H 1 8.691 0.020 . 2 . . . . A 36 GLN HE21 . 34728 1 398 . 1 . 1 39 39 GLN HE22 H 1 7.339 0.020 . 2 . . . . A 36 GLN HE22 . 34728 1 399 . 1 . 1 39 39 GLN CA C 13 53.903 0.400 . 1 . . . . A 36 GLN CA . 34728 1 400 . 1 . 1 39 39 GLN CB C 13 30.902 0.400 . 1 . . . . A 36 GLN CB . 34728 1 401 . 1 . 1 39 39 GLN CG C 13 33.808 0.400 . 1 . . . . A 36 GLN CG . 34728 1 402 . 1 . 1 39 39 GLN N N 15 125.676 0.400 . 1 . . . . A 36 GLN N . 34728 1 403 . 1 . 1 39 39 GLN NE2 N 15 115.042 0.400 . 1 . . . . A 36 GLN NE2 . 34728 1 404 . 1 . 1 40 40 ILE H H 1 8.997 0.020 . 1 . . . . A 37 ILE H . 34728 1 405 . 1 . 1 40 40 ILE HB H 1 1.813 0.020 . 1 . . . . A 37 ILE HB . 34728 1 406 . 1 . 1 40 40 ILE HG12 H 1 1.308 0.020 . 1 . . . . A 37 ILE HG12 . 34728 1 407 . 1 . 1 40 40 ILE HG13 H 1 0.498 0.020 . 1 . . . . A 37 ILE HG13 . 34728 1 408 . 1 . 1 40 40 ILE HG21 H 1 0.641 0.020 . 1 . . . . A 37 ILE HG21 . 34728 1 409 . 1 . 1 40 40 ILE HG22 H 1 0.641 0.020 . 1 . . . . A 37 ILE HG22 . 34728 1 410 . 1 . 1 40 40 ILE HG23 H 1 0.641 0.020 . 1 . . . . A 37 ILE HG23 . 34728 1 411 . 1 . 1 40 40 ILE HD11 H 1 0.561 0.020 . 1 . . . . A 37 ILE HD11 . 34728 1 412 . 1 . 1 40 40 ILE HD12 H 1 0.561 0.020 . 1 . . . . A 37 ILE HD12 . 34728 1 413 . 1 . 1 40 40 ILE HD13 H 1 0.561 0.020 . 1 . . . . A 37 ILE HD13 . 34728 1 414 . 1 . 1 40 40 ILE CB C 13 38.230 0.400 . 1 . . . . A 37 ILE CB . 34728 1 415 . 1 . 1 40 40 ILE CG1 C 13 26.474 0.400 . 1 . . . . A 37 ILE CG1 . 34728 1 416 . 1 . 1 40 40 ILE CG2 C 13 17.849 0.400 . 1 . . . . A 37 ILE CG2 . 34728 1 417 . 1 . 1 40 40 ILE CD1 C 13 13.191 0.400 . 1 . . . . A 37 ILE CD1 . 34728 1 418 . 1 . 1 40 40 ILE N N 15 123.828 0.400 . 1 . . . . A 37 ILE N . 34728 1 419 . 1 . 1 41 41 PRO HA H 1 4.377 0.020 . 1 . . . . A 38 PRO HA . 34728 1 420 . 1 . 1 41 41 PRO HB2 H 1 2.185 0.020 . 2 . . . . A 38 PRO HB2 . 34728 1 421 . 1 . 1 41 41 PRO HB3 H 1 1.537 0.020 . 2 . . . . A 38 PRO HB3 . 34728 1 422 . 1 . 1 41 41 PRO HG2 H 1 1.939 0.020 . 2 . . . . A 38 PRO HG2 . 34728 1 423 . 1 . 1 41 41 PRO HG3 H 1 1.939 0.020 . 2 . . . . A 38 PRO HG3 . 34728 1 424 . 1 . 1 41 41 PRO HD2 H 1 3.877 0.020 . 2 . . . . A 38 PRO HD2 . 34728 1 425 . 1 . 1 41 41 PRO HD3 H 1 3.329 0.020 . 2 . . . . A 38 PRO HD3 . 34728 1 426 . 1 . 1 41 41 PRO CA C 13 58.582 0.400 . 1 . . . . A 38 PRO CA . 34728 1 427 . 1 . 1 41 41 PRO CB C 13 32.611 0.400 . 1 . . . . A 38 PRO CB . 34728 1 428 . 1 . 1 41 41 PRO CG C 13 28.251 0.400 . 1 . . . . A 38 PRO CG . 34728 1 429 . 1 . 1 41 41 PRO CD C 13 50.439 0.400 . 1 . . . . A 38 PRO CD . 34728 1 430 . 1 . 1 42 42 LEU H H 1 7.952 0.020 . 1 . . . . A 39 LEU H . 34728 1 431 . 1 . 1 42 42 LEU HA H 1 4.446 0.020 . 1 . . . . A 39 LEU HA . 34728 1 432 . 1 . 1 42 42 LEU HB2 H 1 1.380 0.020 . 2 . . . . A 39 LEU HB2 . 34728 1 433 . 1 . 1 42 42 LEU HB3 H 1 0.793 0.020 . 2 . . . . A 39 LEU HB3 . 34728 1 434 . 1 . 1 42 42 LEU HG H 1 1.535 0.020 . 1 . . . . A 39 LEU HG . 34728 1 435 . 1 . 1 42 42 LEU HD11 H 1 0.516 0.020 . 2 . . . . A 39 LEU HD11 . 34728 1 436 . 1 . 1 42 42 LEU HD12 H 1 0.516 0.020 . 2 . . . . A 39 LEU HD12 . 34728 1 437 . 1 . 1 42 42 LEU HD13 H 1 0.516 0.020 . 2 . . . . A 39 LEU HD13 . 34728 1 438 . 1 . 1 42 42 LEU HD21 H 1 0.666 0.020 . 2 . . . . A 39 LEU HD21 . 34728 1 439 . 1 . 1 42 42 LEU HD22 H 1 0.666 0.020 . 2 . . . . A 39 LEU HD22 . 34728 1 440 . 1 . 1 42 42 LEU HD23 H 1 0.666 0.020 . 2 . . . . A 39 LEU HD23 . 34728 1 441 . 1 . 1 42 42 LEU CA C 13 53.166 0.400 . 1 . . . . A 39 LEU CA . 34728 1 442 . 1 . 1 42 42 LEU CB C 13 45.063 0.400 . 1 . . . . A 39 LEU CB . 34728 1 443 . 1 . 1 42 42 LEU CG C 13 26.372 0.400 . 1 . . . . A 39 LEU CG . 34728 1 444 . 1 . 1 42 42 LEU CD1 C 13 22.974 0.400 . 1 . . . . A 39 LEU CD1 . 34728 1 445 . 1 . 1 42 42 LEU CD2 C 13 25.074 0.400 . 1 . . . . A 39 LEU CD2 . 34728 1 446 . 1 . 1 42 42 LEU N N 15 121.046 0.400 . 1 . . . . A 39 LEU N . 34728 1 447 . 1 . 1 43 43 ASP H H 1 8.338 0.020 . 1 . . . . A 40 ASP H . 34728 1 448 . 1 . 1 43 43 ASP HA H 1 4.445 0.020 . 1 . . . . A 40 ASP HA . 34728 1 449 . 1 . 1 43 43 ASP HB2 H 1 2.391 0.020 . 1 . . . . A 40 ASP HB2 . 34728 1 450 . 1 . 1 43 43 ASP HB3 H 1 3.327 0.020 . 1 . . . . A 40 ASP HB3 . 34728 1 451 . 1 . 1 43 43 ASP CA C 13 53.315 0.400 . 1 . . . . A 40 ASP CA . 34728 1 452 . 1 . 1 43 43 ASP CB C 13 42.996 0.400 . 1 . . . . A 40 ASP CB . 34728 1 453 . 1 . 1 43 43 ASP N N 15 122.255 0.400 . 1 . . . . A 40 ASP N . 34728 1 454 . 1 . 1 44 44 TYR H H 1 8.628 0.020 . 1 . . . . A 41 TYR H . 34728 1 455 . 1 . 1 44 44 TYR HA H 1 4.066 0.020 . 1 . . . . A 41 TYR HA . 34728 1 456 . 1 . 1 44 44 TYR HB2 H 1 3.080 0.020 . 2 . . . . A 41 TYR HB2 . 34728 1 457 . 1 . 1 44 44 TYR HB3 H 1 2.897 0.020 . 2 . . . . A 41 TYR HB3 . 34728 1 458 . 1 . 1 44 44 TYR HD1 H 1 7.059 0.020 . 1 . . . . A 41 TYR HD1 . 34728 1 459 . 1 . 1 44 44 TYR HD2 H 1 7.059 0.020 . 1 . . . . A 41 TYR HD2 . 34728 1 460 . 1 . 1 44 44 TYR HE1 H 1 6.686 0.020 . 1 . . . . A 41 TYR HE1 . 34728 1 461 . 1 . 1 44 44 TYR HE2 H 1 6.686 0.020 . 1 . . . . A 41 TYR HE2 . 34728 1 462 . 1 . 1 44 44 TYR CA C 13 61.309 0.400 . 1 . . . . A 41 TYR CA . 34728 1 463 . 1 . 1 44 44 TYR CB C 13 38.175 0.400 . 1 . . . . A 41 TYR CB . 34728 1 464 . 1 . 1 44 44 TYR CD1 C 13 132.625 0.400 . 1 . . . . A 41 TYR CD1 . 34728 1 465 . 1 . 1 44 44 TYR CE1 C 13 118.196 0.400 . 1 . . . . A 41 TYR CE1 . 34728 1 466 . 1 . 1 44 44 TYR N N 15 125.820 0.400 . 1 . . . . A 41 TYR N . 34728 1 467 . 1 . 1 45 45 GLU H H 1 8.758 0.020 . 1 . . . . A 42 GLU H . 34728 1 468 . 1 . 1 45 45 GLU HA H 1 4.246 0.020 . 1 . . . . A 42 GLU HA . 34728 1 469 . 1 . 1 45 45 GLU HB2 H 1 2.102 0.020 . 1 . . . . A 42 GLU HB2 . 34728 1 470 . 1 . 1 45 45 GLU HB3 H 1 2.161 0.020 . 1 . . . . A 42 GLU HB3 . 34728 1 471 . 1 . 1 45 45 GLU HG2 H 1 2.166 0.020 . 1 . . . . A 42 GLU HG2 . 34728 1 472 . 1 . 1 45 45 GLU HG3 H 1 2.312 0.020 . 1 . . . . A 42 GLU HG3 . 34728 1 473 . 1 . 1 45 45 GLU CA C 13 58.680 0.400 . 1 . . . . A 42 GLU CA . 34728 1 474 . 1 . 1 45 45 GLU CB C 13 30.230 0.400 . 1 . . . . A 42 GLU CB . 34728 1 475 . 1 . 1 45 45 GLU CG C 13 36.647 0.400 . 1 . . . . A 42 GLU CG . 34728 1 476 . 1 . 1 45 45 GLU N N 15 118.163 0.400 . 1 . . . . A 42 GLU N . 34728 1 477 . 1 . 1 46 46 THR H H 1 7.802 0.020 . 1 . . . . A 43 THR H . 34728 1 478 . 1 . 1 46 46 THR HA H 1 4.246 0.020 . 1 . . . . A 43 THR HA . 34728 1 479 . 1 . 1 46 46 THR HB H 1 4.196 0.020 . 1 . . . . A 43 THR HB . 34728 1 480 . 1 . 1 46 46 THR HG21 H 1 1.130 0.020 . 1 . . . . A 43 THR HG21 . 34728 1 481 . 1 . 1 46 46 THR HG22 H 1 1.130 0.020 . 1 . . . . A 43 THR HG22 . 34728 1 482 . 1 . 1 46 46 THR HG23 H 1 1.130 0.020 . 1 . . . . A 43 THR HG23 . 34728 1 483 . 1 . 1 46 46 THR CA C 13 61.724 0.400 . 1 . . . . A 43 THR CA . 34728 1 484 . 1 . 1 46 46 THR CB C 13 70.426 0.400 . 1 . . . . A 43 THR CB . 34728 1 485 . 1 . 1 46 46 THR CG2 C 13 21.733 0.400 . 1 . . . . A 43 THR CG2 . 34728 1 486 . 1 . 1 46 46 THR N N 15 107.164 0.400 . 1 . . . . A 43 THR N . 34728 1 487 . 1 . 1 47 47 GLU H H 1 8.382 0.020 . 1 . . . . A 44 GLU H . 34728 1 488 . 1 . 1 47 47 GLU HA H 1 3.568 0.020 . 1 . . . . A 44 GLU HA . 34728 1 489 . 1 . 1 47 47 GLU HB2 H 1 2.178 0.020 . 2 . . . . A 44 GLU HB2 . 34728 1 490 . 1 . 1 47 47 GLU HB3 H 1 2.178 0.020 . 2 . . . . A 44 GLU HB3 . 34728 1 491 . 1 . 1 47 47 GLU HG2 H 1 2.063 0.020 . 2 . . . . A 44 GLU HG2 . 34728 1 492 . 1 . 1 47 47 GLU HG3 H 1 2.063 0.020 . 2 . . . . A 44 GLU HG3 . 34728 1 493 . 1 . 1 47 47 GLU CA C 13 58.063 0.400 . 1 . . . . A 44 GLU CA . 34728 1 494 . 1 . 1 47 47 GLU CB C 13 27.198 0.400 . 1 . . . . A 44 GLU CB . 34728 1 495 . 1 . 1 47 47 GLU CG C 13 37.211 0.400 . 1 . . . . A 44 GLU CG . 34728 1 496 . 1 . 1 47 47 GLU N N 15 116.234 0.400 . 1 . . . . A 44 GLU N . 34728 1 497 . 1 . 1 48 48 LYS H H 1 7.651 0.020 . 1 . . . . A 45 LYS H . 34728 1 498 . 1 . 1 48 48 LYS HA H 1 4.648 0.020 . 1 . . . . A 45 LYS HA . 34728 1 499 . 1 . 1 48 48 LYS HB2 H 1 1.749 0.020 . 1 . . . . A 45 LYS HB2 . 34728 1 500 . 1 . 1 48 48 LYS HB3 H 1 1.502 0.020 . 1 . . . . A 45 LYS HB3 . 34728 1 501 . 1 . 1 48 48 LYS HG2 H 1 1.350 0.020 . 2 . . . . A 45 LYS HG2 . 34728 1 502 . 1 . 1 48 48 LYS HG3 H 1 1.276 0.020 . 2 . . . . A 45 LYS HG3 . 34728 1 503 . 1 . 1 48 48 LYS HD2 H 1 1.486 0.020 . 1 . . . . A 45 LYS HD2 . 34728 1 504 . 1 . 1 48 48 LYS HD3 H 1 1.565 0.020 . 1 . . . . A 45 LYS HD3 . 34728 1 505 . 1 . 1 48 48 LYS HE2 H 1 2.901 0.020 . 2 . . . . A 45 LYS HE2 . 34728 1 506 . 1 . 1 48 48 LYS HE3 H 1 2.901 0.020 . 2 . . . . A 45 LYS HE3 . 34728 1 507 . 1 . 1 48 48 LYS CA C 13 54.372 0.400 . 1 . . . . A 45 LYS CA . 34728 1 508 . 1 . 1 48 48 LYS CB C 13 36.219 0.400 . 1 . . . . A 45 LYS CB . 34728 1 509 . 1 . 1 48 48 LYS CG C 13 24.728 0.400 . 1 . . . . A 45 LYS CG . 34728 1 510 . 1 . 1 48 48 LYS CD C 13 29.113 0.400 . 1 . . . . A 45 LYS CD . 34728 1 511 . 1 . 1 48 48 LYS CE C 13 42.537 0.400 . 1 . . . . A 45 LYS CE . 34728 1 512 . 1 . 1 48 48 LYS N N 15 117.218 0.400 . 1 . . . . A 45 LYS N . 34728 1 513 . 1 . 1 49 49 HIS H H 1 7.975 0.020 . 1 . . . . A 46 HIS H . 34728 1 514 . 1 . 1 49 49 HIS HA H 1 4.869 0.020 . 1 . . . . A 46 HIS HA . 34728 1 515 . 1 . 1 49 49 HIS HB2 H 1 3.483 0.020 . 1 . . . . A 46 HIS HB2 . 34728 1 516 . 1 . 1 49 49 HIS HB3 H 1 2.702 0.020 . 1 . . . . A 46 HIS HB3 . 34728 1 517 . 1 . 1 49 49 HIS HD2 H 1 7.056 0.020 . 1 . . . . A 46 HIS HD2 . 34728 1 518 . 1 . 1 49 49 HIS HE1 H 1 7.221 0.020 . 1 . . . . A 46 HIS HE1 . 34728 1 519 . 1 . 1 49 49 HIS CA C 13 55.700 0.400 . 1 . . . . A 46 HIS CA . 34728 1 520 . 1 . 1 49 49 HIS CB C 13 31.007 0.400 . 1 . . . . A 46 HIS CB . 34728 1 521 . 1 . 1 49 49 HIS CD2 C 13 118.724 0.400 . 1 . . . . A 46 HIS CD2 . 34728 1 522 . 1 . 1 49 49 HIS CE1 C 13 139.261 0.400 . 1 . . . . A 46 HIS CE1 . 34728 1 523 . 1 . 1 49 49 HIS N N 15 118.101 0.400 . 1 . . . . A 46 HIS N . 34728 1 524 . 1 . 1 50 50 ARG H H 1 9.197 0.020 . 1 . . . . A 47 ARG H . 34728 1 525 . 1 . 1 50 50 ARG HB2 H 1 2.402 0.020 . 2 . . . . A 47 ARG HB2 . 34728 1 526 . 1 . 1 50 50 ARG HB3 H 1 1.536 0.020 . 2 . . . . A 47 ARG HB3 . 34728 1 527 . 1 . 1 50 50 ARG HG2 H 1 1.610 0.020 . 2 . . . . A 47 ARG HG2 . 34728 1 528 . 1 . 1 50 50 ARG HG3 H 1 1.580 0.020 . 2 . . . . A 47 ARG HG3 . 34728 1 529 . 1 . 1 50 50 ARG HD2 H 1 3.323 0.020 . 2 . . . . A 47 ARG HD2 . 34728 1 530 . 1 . 1 50 50 ARG HD3 H 1 3.170 0.020 . 2 . . . . A 47 ARG HD3 . 34728 1 531 . 1 . 1 50 50 ARG HE H 1 7.571 0.020 . 1 . . . . A 47 ARG HE . 34728 1 532 . 1 . 1 50 50 ARG CB C 13 30.690 0.400 . 1 . . . . A 47 ARG CB . 34728 1 533 . 1 . 1 50 50 ARG CG C 13 27.937 0.400 . 1 . . . . A 47 ARG CG . 34728 1 534 . 1 . 1 50 50 ARG CD C 13 43.308 0.400 . 1 . . . . A 47 ARG CD . 34728 1 535 . 1 . 1 50 50 ARG N N 15 120.463 0.400 . 1 . . . . A 47 ARG N . 34728 1 536 . 1 . 1 50 50 ARG NE N 15 83.983 0.400 . 1 . . . . A 47 ARG NE . 34728 1 537 . 1 . 1 51 51 GLY H H 1 11.128 0.020 . 1 . . . . A 48 GLY H . 34728 1 538 . 1 . 1 51 51 GLY HA2 H 1 3.961 0.020 . 1 . . . . A 48 GLY HA2 . 34728 1 539 . 1 . 1 51 51 GLY HA3 H 1 4.447 0.020 . 1 . . . . A 48 GLY HA3 . 34728 1 540 . 1 . 1 51 51 GLY CA C 13 45.691 0.400 . 1 . . . . A 48 GLY CA . 34728 1 541 . 1 . 1 51 51 GLY N N 15 113.293 0.400 . 1 . . . . A 48 GLY N . 34728 1 542 . 1 . 1 52 52 PHE H H 1 6.762 0.020 . 1 . . . . A 49 PHE H . 34728 1 543 . 1 . 1 52 52 PHE HA H 1 5.644 0.020 . 1 . . . . A 49 PHE HA . 34728 1 544 . 1 . 1 52 52 PHE HB2 H 1 2.897 0.020 . 2 . . . . A 49 PHE HB2 . 34728 1 545 . 1 . 1 52 52 PHE HB3 H 1 2.474 0.020 . 2 . . . . A 49 PHE HB3 . 34728 1 546 . 1 . 1 52 52 PHE HD1 H 1 6.713 0.020 . 1 . . . . A 49 PHE HD1 . 34728 1 547 . 1 . 1 52 52 PHE HD2 H 1 6.713 0.020 . 1 . . . . A 49 PHE HD2 . 34728 1 548 . 1 . 1 52 52 PHE HE1 H 1 7.245 0.020 . 1 . . . . A 49 PHE HE1 . 34728 1 549 . 1 . 1 52 52 PHE HE2 H 1 7.245 0.020 . 1 . . . . A 49 PHE HE2 . 34728 1 550 . 1 . 1 52 52 PHE HZ H 1 7.101 0.020 . 1 . . . . A 49 PHE HZ . 34728 1 551 . 1 . 1 52 52 PHE CA C 13 54.463 0.400 . 1 . . . . A 49 PHE CA . 34728 1 552 . 1 . 1 52 52 PHE CB C 13 42.162 0.400 . 1 . . . . A 49 PHE CB . 34728 1 553 . 1 . 1 52 52 PHE CD1 C 13 132.779 0.400 . 1 . . . . A 49 PHE CD1 . 34728 1 554 . 1 . 1 52 52 PHE CE1 C 13 131.348 0.400 . 1 . . . . A 49 PHE CE1 . 34728 1 555 . 1 . 1 52 52 PHE CZ C 13 128.312 0.400 . 1 . . . . A 49 PHE CZ . 34728 1 556 . 1 . 1 52 52 PHE N N 15 113.396 0.400 . 1 . . . . A 49 PHE N . 34728 1 557 . 1 . 1 53 53 ALA H H 1 8.482 0.020 . 1 . . . . A 50 ALA H . 34728 1 558 . 1 . 1 53 53 ALA HA H 1 4.212 0.020 . 1 . . . . A 50 ALA HA . 34728 1 559 . 1 . 1 53 53 ALA HB1 H 1 0.834 0.020 . 1 . . . . A 50 ALA HB1 . 34728 1 560 . 1 . 1 53 53 ALA HB2 H 1 0.834 0.020 . 1 . . . . A 50 ALA HB2 . 34728 1 561 . 1 . 1 53 53 ALA HB3 H 1 0.834 0.020 . 1 . . . . A 50 ALA HB3 . 34728 1 562 . 1 . 1 53 53 ALA CA C 13 49.835 0.400 . 1 . . . . A 50 ALA CA . 34728 1 563 . 1 . 1 53 53 ALA CB C 13 25.696 0.400 . 1 . . . . A 50 ALA CB . 34728 1 564 . 1 . 1 53 53 ALA N N 15 119.941 0.400 . 1 . . . . A 50 ALA N . 34728 1 565 . 1 . 1 54 54 PHE H H 1 8.662 0.020 . 1 . . . . A 51 PHE H . 34728 1 566 . 1 . 1 54 54 PHE HA H 1 5.894 0.020 . 1 . . . . A 51 PHE HA . 34728 1 567 . 1 . 1 54 54 PHE HB2 H 1 2.742 0.020 . 1 . . . . A 51 PHE HB2 . 34728 1 568 . 1 . 1 54 54 PHE HB3 H 1 2.539 0.020 . 1 . . . . A 51 PHE HB3 . 34728 1 569 . 1 . 1 54 54 PHE HD1 H 1 7.079 0.020 . 1 . . . . A 51 PHE HD1 . 34728 1 570 . 1 . 1 54 54 PHE HD2 H 1 7.079 0.020 . 1 . . . . A 51 PHE HD2 . 34728 1 571 . 1 . 1 54 54 PHE HE1 H 1 7.373 0.020 . 1 . . . . A 51 PHE HE1 . 34728 1 572 . 1 . 1 54 54 PHE HE2 H 1 7.373 0.020 . 1 . . . . A 51 PHE HE2 . 34728 1 573 . 1 . 1 54 54 PHE HZ H 1 7.350 0.020 . 1 . . . . A 51 PHE HZ . 34728 1 574 . 1 . 1 54 54 PHE CA C 13 55.813 0.400 . 1 . . . . A 51 PHE CA . 34728 1 575 . 1 . 1 54 54 PHE CB C 13 42.418 0.400 . 1 . . . . A 51 PHE CB . 34728 1 576 . 1 . 1 54 54 PHE CD1 C 13 132.135 0.400 . 1 . . . . A 51 PHE CD1 . 34728 1 577 . 1 . 1 54 54 PHE CE1 C 13 130.721 0.400 . 1 . . . . A 51 PHE CE1 . 34728 1 578 . 1 . 1 54 54 PHE CZ C 13 129.436 0.400 . 1 . . . . A 51 PHE CZ . 34728 1 579 . 1 . 1 54 54 PHE N N 15 113.745 0.400 . 1 . . . . A 51 PHE N . 34728 1 580 . 1 . 1 55 55 VAL H H 1 8.514 0.020 . 1 . . . . A 52 VAL H . 34728 1 581 . 1 . 1 55 55 VAL HA H 1 4.252 0.020 . 1 . . . . A 52 VAL HA . 34728 1 582 . 1 . 1 55 55 VAL HB H 1 1.286 0.020 . 1 . . . . A 52 VAL HB . 34728 1 583 . 1 . 1 55 55 VAL HG11 H 1 0.247 0.020 . 2 . . . . A 52 VAL HG11 . 34728 1 584 . 1 . 1 55 55 VAL HG12 H 1 0.247 0.020 . 2 . . . . A 52 VAL HG12 . 34728 1 585 . 1 . 1 55 55 VAL HG13 H 1 0.247 0.020 . 2 . . . . A 52 VAL HG13 . 34728 1 586 . 1 . 1 55 55 VAL HG21 H 1 0.220 0.020 . 2 . . . . A 52 VAL HG21 . 34728 1 587 . 1 . 1 55 55 VAL HG22 H 1 0.220 0.020 . 2 . . . . A 52 VAL HG22 . 34728 1 588 . 1 . 1 55 55 VAL HG23 H 1 0.220 0.020 . 2 . . . . A 52 VAL HG23 . 34728 1 589 . 1 . 1 55 55 VAL CA C 13 61.121 0.400 . 1 . . . . A 52 VAL CA . 34728 1 590 . 1 . 1 55 55 VAL CB C 13 35.107 0.400 . 1 . . . . A 52 VAL CB . 34728 1 591 . 1 . 1 55 55 VAL CG1 C 13 20.476 0.400 . 1 . . . . A 52 VAL CG1 . 34728 1 592 . 1 . 1 55 55 VAL CG2 C 13 21.020 0.400 . 1 . . . . A 52 VAL CG2 . 34728 1 593 . 1 . 1 55 55 VAL N N 15 122.163 0.400 . 1 . . . . A 52 VAL N . 34728 1 594 . 1 . 1 56 56 GLU H H 1 9.057 0.020 . 1 . . . . A 53 GLU H . 34728 1 595 . 1 . 1 56 56 GLU HA H 1 5.198 0.020 . 1 . . . . A 53 GLU HA . 34728 1 596 . 1 . 1 56 56 GLU HB2 H 1 1.602 0.020 . 1 . . . . A 53 GLU HB2 . 34728 1 597 . 1 . 1 56 56 GLU HB3 H 1 2.018 0.020 . 1 . . . . A 53 GLU HB3 . 34728 1 598 . 1 . 1 56 56 GLU HG2 H 1 2.023 0.020 . 2 . . . . A 53 GLU HG2 . 34728 1 599 . 1 . 1 56 56 GLU HG3 H 1 1.837 0.020 . 2 . . . . A 53 GLU HG3 . 34728 1 600 . 1 . 1 56 56 GLU CA C 13 54.170 0.400 . 1 . . . . A 53 GLU CA . 34728 1 601 . 1 . 1 56 56 GLU CB C 13 33.848 0.400 . 1 . . . . A 53 GLU CB . 34728 1 602 . 1 . 1 56 56 GLU CG C 13 36.608 0.400 . 1 . . . . A 53 GLU CG . 34728 1 603 . 1 . 1 56 56 GLU N N 15 129.544 0.400 . 1 . . . . A 53 GLU N . 34728 1 604 . 1 . 1 57 57 PHE H H 1 8.343 0.020 . 1 . . . . A 54 PHE H . 34728 1 605 . 1 . 1 57 57 PHE HA H 1 4.827 0.020 . 1 . . . . A 54 PHE HA . 34728 1 606 . 1 . 1 57 57 PHE HB2 H 1 2.606 0.020 . 1 . . . . A 54 PHE HB2 . 34728 1 607 . 1 . 1 57 57 PHE HB3 H 1 3.745 0.020 . 1 . . . . A 54 PHE HB3 . 34728 1 608 . 1 . 1 57 57 PHE HD1 H 1 7.150 0.020 . 1 . . . . A 54 PHE HD1 . 34728 1 609 . 1 . 1 57 57 PHE HD2 H 1 7.150 0.020 . 1 . . . . A 54 PHE HD2 . 34728 1 610 . 1 . 1 57 57 PHE HE1 H 1 7.590 0.020 . 1 . . . . A 54 PHE HE1 . 34728 1 611 . 1 . 1 57 57 PHE HE2 H 1 7.590 0.020 . 1 . . . . A 54 PHE HE2 . 34728 1 612 . 1 . 1 57 57 PHE CA C 13 58.082 0.400 . 1 . . . . A 54 PHE CA . 34728 1 613 . 1 . 1 57 57 PHE CB C 13 41.562 0.400 . 1 . . . . A 54 PHE CB . 34728 1 614 . 1 . 1 57 57 PHE CD1 C 13 129.507 0.400 . 1 . . . . A 54 PHE CD1 . 34728 1 615 . 1 . 1 57 57 PHE CE1 C 13 129.191 0.400 . 1 . . . . A 54 PHE CE1 . 34728 1 616 . 1 . 1 57 57 PHE N N 15 126.204 0.400 . 1 . . . . A 54 PHE N . 34728 1 617 . 1 . 1 58 58 GLU H H 1 8.124 0.020 . 1 . . . . A 55 GLU H . 34728 1 618 . 1 . 1 58 58 GLU HA H 1 3.943 0.020 . 1 . . . . A 55 GLU HA . 34728 1 619 . 1 . 1 58 58 GLU HB2 H 1 2.280 0.020 . 1 . . . . A 55 GLU HB2 . 34728 1 620 . 1 . 1 58 58 GLU HB3 H 1 1.965 0.020 . 1 . . . . A 55 GLU HB3 . 34728 1 621 . 1 . 1 58 58 GLU HG2 H 1 2.219 0.020 . 2 . . . . A 55 GLU HG2 . 34728 1 622 . 1 . 1 58 58 GLU HG3 H 1 2.219 0.020 . 2 . . . . A 55 GLU HG3 . 34728 1 623 . 1 . 1 58 58 GLU CA C 13 59.678 0.400 . 1 . . . . A 55 GLU CA . 34728 1 624 . 1 . 1 58 58 GLU CB C 13 29.868 0.400 . 1 . . . . A 55 GLU CB . 34728 1 625 . 1 . 1 58 58 GLU CG C 13 36.296 0.400 . 1 . . . . A 55 GLU CG . 34728 1 626 . 1 . 1 58 58 GLU N N 15 121.015 0.400 . 1 . . . . A 55 GLU N . 34728 1 627 . 1 . 1 59 59 LEU H H 1 9.309 0.020 . 1 . . . . A 56 LEU H . 34728 1 628 . 1 . 1 59 59 LEU HA H 1 4.859 0.020 . 1 . . . . A 56 LEU HA . 34728 1 629 . 1 . 1 59 59 LEU HB2 H 1 1.619 0.020 . 1 . . . . A 56 LEU HB2 . 34728 1 630 . 1 . 1 59 59 LEU HB3 H 1 1.838 0.020 . 1 . . . . A 56 LEU HB3 . 34728 1 631 . 1 . 1 59 59 LEU HG H 1 1.697 0.020 . 1 . . . . A 56 LEU HG . 34728 1 632 . 1 . 1 59 59 LEU HD11 H 1 0.962 0.020 . 2 . . . . A 56 LEU HD11 . 34728 1 633 . 1 . 1 59 59 LEU HD12 H 1 0.962 0.020 . 2 . . . . A 56 LEU HD12 . 34728 1 634 . 1 . 1 59 59 LEU HD13 H 1 0.962 0.020 . 2 . . . . A 56 LEU HD13 . 34728 1 635 . 1 . 1 59 59 LEU HD21 H 1 1.032 0.020 . 2 . . . . A 56 LEU HD21 . 34728 1 636 . 1 . 1 59 59 LEU HD22 H 1 1.032 0.020 . 2 . . . . A 56 LEU HD22 . 34728 1 637 . 1 . 1 59 59 LEU HD23 H 1 1.032 0.020 . 2 . . . . A 56 LEU HD23 . 34728 1 638 . 1 . 1 59 59 LEU CA C 13 52.931 0.400 . 1 . . . . A 56 LEU CA . 34728 1 639 . 1 . 1 59 59 LEU CB C 13 43.115 0.400 . 1 . . . . A 56 LEU CB . 34728 1 640 . 1 . 1 59 59 LEU CG C 13 27.014 0.400 . 1 . . . . A 56 LEU CG . 34728 1 641 . 1 . 1 59 59 LEU CD1 C 13 23.201 0.400 . 1 . . . . A 56 LEU CD1 . 34728 1 642 . 1 . 1 59 59 LEU CD2 C 13 25.266 0.400 . 1 . . . . A 56 LEU CD2 . 34728 1 643 . 1 . 1 59 59 LEU N N 15 116.416 0.400 . 1 . . . . A 56 LEU N . 34728 1 644 . 1 . 1 60 60 ALA H H 1 9.077 0.020 . 1 . . . . A 57 ALA H . 34728 1 645 . 1 . 1 60 60 ALA HA H 1 3.975 0.020 . 1 . . . . A 57 ALA HA . 34728 1 646 . 1 . 1 60 60 ALA HB1 H 1 1.407 0.020 . 1 . . . . A 57 ALA HB1 . 34728 1 647 . 1 . 1 60 60 ALA HB2 H 1 1.407 0.020 . 1 . . . . A 57 ALA HB2 . 34728 1 648 . 1 . 1 60 60 ALA HB3 H 1 1.407 0.020 . 1 . . . . A 57 ALA HB3 . 34728 1 649 . 1 . 1 60 60 ALA CA C 13 55.315 0.400 . 1 . . . . A 57 ALA CA . 34728 1 650 . 1 . 1 60 60 ALA CB C 13 18.605 0.400 . 1 . . . . A 57 ALA CB . 34728 1 651 . 1 . 1 60 60 ALA N N 15 127.336 0.400 . 1 . . . . A 57 ALA N . 34728 1 652 . 1 . 1 61 61 GLU H H 1 9.933 0.020 . 1 . . . . A 58 GLU H . 34728 1 653 . 1 . 1 61 61 GLU HA H 1 4.070 0.020 . 1 . . . . A 58 GLU HA . 34728 1 654 . 1 . 1 61 61 GLU HB2 H 1 2.018 0.020 . 2 . . . . A 58 GLU HB2 . 34728 1 655 . 1 . 1 61 61 GLU HB3 H 1 2.018 0.020 . 2 . . . . A 58 GLU HB3 . 34728 1 656 . 1 . 1 61 61 GLU HG2 H 1 2.331 0.020 . 1 . . . . A 58 GLU HG2 . 34728 1 657 . 1 . 1 61 61 GLU HG3 H 1 2.415 0.020 . 1 . . . . A 58 GLU HG3 . 34728 1 658 . 1 . 1 61 61 GLU CA C 13 59.710 0.400 . 1 . . . . A 58 GLU CA . 34728 1 659 . 1 . 1 61 61 GLU CB C 13 28.623 0.400 . 1 . . . . A 58 GLU CB . 34728 1 660 . 1 . 1 61 61 GLU CG C 13 36.607 0.400 . 1 . . . . A 58 GLU CG . 34728 1 661 . 1 . 1 61 61 GLU N N 15 118.353 0.400 . 1 . . . . A 58 GLU N . 34728 1 662 . 1 . 1 62 62 ASP H H 1 6.825 0.020 . 1 . . . . A 59 ASP H . 34728 1 663 . 1 . 1 62 62 ASP HA H 1 4.431 0.020 . 1 . . . . A 59 ASP HA . 34728 1 664 . 1 . 1 62 62 ASP HB2 H 1 2.913 0.020 . 1 . . . . A 59 ASP HB2 . 34728 1 665 . 1 . 1 62 62 ASP HB3 H 1 2.581 0.020 . 1 . . . . A 59 ASP HB3 . 34728 1 666 . 1 . 1 62 62 ASP CA C 13 56.487 0.400 . 1 . . . . A 59 ASP CA . 34728 1 667 . 1 . 1 62 62 ASP CB C 13 39.897 0.400 . 1 . . . . A 59 ASP CB . 34728 1 668 . 1 . 1 62 62 ASP N N 15 123.950 0.400 . 1 . . . . A 59 ASP N . 34728 1 669 . 1 . 1 63 63 ALA H H 1 6.979 0.020 . 1 . . . . A 60 ALA H . 34728 1 670 . 1 . 1 63 63 ALA HA H 1 3.194 0.020 . 1 . . . . A 60 ALA HA . 34728 1 671 . 1 . 1 63 63 ALA HB1 H 1 1.398 0.020 . 1 . . . . A 60 ALA HB1 . 34728 1 672 . 1 . 1 63 63 ALA HB2 H 1 1.398 0.020 . 1 . . . . A 60 ALA HB2 . 34728 1 673 . 1 . 1 63 63 ALA HB3 H 1 1.398 0.020 . 1 . . . . A 60 ALA HB3 . 34728 1 674 . 1 . 1 63 63 ALA CA C 13 54.640 0.400 . 1 . . . . A 60 ALA CA . 34728 1 675 . 1 . 1 63 63 ALA CB C 13 17.252 0.400 . 1 . . . . A 60 ALA CB . 34728 1 676 . 1 . 1 63 63 ALA N N 15 121.725 0.400 . 1 . . . . A 60 ALA N . 34728 1 677 . 1 . 1 64 64 ALA H H 1 7.720 0.020 . 1 . . . . A 61 ALA H . 34728 1 678 . 1 . 1 64 64 ALA HA H 1 3.870 0.020 . 1 . . . . A 61 ALA HA . 34728 1 679 . 1 . 1 64 64 ALA HB1 H 1 1.414 0.020 . 1 . . . . A 61 ALA HB1 . 34728 1 680 . 1 . 1 64 64 ALA HB2 H 1 1.414 0.020 . 1 . . . . A 61 ALA HB2 . 34728 1 681 . 1 . 1 64 64 ALA HB3 H 1 1.414 0.020 . 1 . . . . A 61 ALA HB3 . 34728 1 682 . 1 . 1 64 64 ALA CA C 13 55.047 0.400 . 1 . . . . A 61 ALA CA . 34728 1 683 . 1 . 1 64 64 ALA CB C 13 17.863 0.400 . 1 . . . . A 61 ALA CB . 34728 1 684 . 1 . 1 64 64 ALA N N 15 117.508 0.400 . 1 . . . . A 61 ALA N . 34728 1 685 . 1 . 1 65 65 ALA H H 1 7.314 0.020 . 1 . . . . A 62 ALA H . 34728 1 686 . 1 . 1 65 65 ALA HA H 1 4.098 0.020 . 1 . . . . A 62 ALA HA . 34728 1 687 . 1 . 1 65 65 ALA HB1 H 1 1.623 0.020 . 1 . . . . A 62 ALA HB1 . 34728 1 688 . 1 . 1 65 65 ALA HB2 H 1 1.623 0.020 . 1 . . . . A 62 ALA HB2 . 34728 1 689 . 1 . 1 65 65 ALA HB3 H 1 1.623 0.020 . 1 . . . . A 62 ALA HB3 . 34728 1 690 . 1 . 1 65 65 ALA CA C 13 54.773 0.400 . 1 . . . . A 62 ALA CA . 34728 1 691 . 1 . 1 65 65 ALA CB C 13 18.192 0.400 . 1 . . . . A 62 ALA CB . 34728 1 692 . 1 . 1 65 65 ALA N N 15 121.264 0.400 . 1 . . . . A 62 ALA N . 34728 1 693 . 1 . 1 66 66 ALA H H 1 7.883 0.020 . 1 . . . . A 63 ALA H . 34728 1 694 . 1 . 1 66 66 ALA HA H 1 2.425 0.020 . 1 . . . . A 63 ALA HA . 34728 1 695 . 1 . 1 66 66 ALA HB1 H 1 1.168 0.020 . 1 . . . . A 63 ALA HB1 . 34728 1 696 . 1 . 1 66 66 ALA HB2 H 1 1.168 0.020 . 1 . . . . A 63 ALA HB2 . 34728 1 697 . 1 . 1 66 66 ALA HB3 H 1 1.168 0.020 . 1 . . . . A 63 ALA HB3 . 34728 1 698 . 1 . 1 66 66 ALA CA C 13 54.724 0.400 . 1 . . . . A 63 ALA CA . 34728 1 699 . 1 . 1 66 66 ALA CB C 13 19.084 0.400 . 1 . . . . A 63 ALA CB . 34728 1 700 . 1 . 1 66 66 ALA N N 15 122.041 0.400 . 1 . . . . A 63 ALA N . 34728 1 701 . 1 . 1 67 67 ILE H H 1 7.794 0.020 . 1 . . . . A 64 ILE H . 34728 1 702 . 1 . 1 67 67 ILE HA H 1 3.209 0.020 . 1 . . . . A 64 ILE HA . 34728 1 703 . 1 . 1 67 67 ILE HB H 1 1.826 0.020 . 1 . . . . A 64 ILE HB . 34728 1 704 . 1 . 1 67 67 ILE HG12 H 1 1.870 0.020 . 2 . . . . A 64 ILE HG12 . 34728 1 705 . 1 . 1 67 67 ILE HG13 H 1 0.494 0.020 . 2 . . . . A 64 ILE HG13 . 34728 1 706 . 1 . 1 67 67 ILE HG21 H 1 0.921 0.020 . 1 . . . . A 64 ILE HG21 . 34728 1 707 . 1 . 1 67 67 ILE HG22 H 1 0.921 0.020 . 1 . . . . A 64 ILE HG22 . 34728 1 708 . 1 . 1 67 67 ILE HG23 H 1 0.921 0.020 . 1 . . . . A 64 ILE HG23 . 34728 1 709 . 1 . 1 67 67 ILE HD11 H 1 0.793 0.020 . 1 . . . . A 64 ILE HD11 . 34728 1 710 . 1 . 1 67 67 ILE HD12 H 1 0.793 0.020 . 1 . . . . A 64 ILE HD12 . 34728 1 711 . 1 . 1 67 67 ILE HD13 H 1 0.793 0.020 . 1 . . . . A 64 ILE HD13 . 34728 1 712 . 1 . 1 67 67 ILE CA C 13 66.619 0.400 . 1 . . . . A 64 ILE CA . 34728 1 713 . 1 . 1 67 67 ILE CB C 13 38.480 0.400 . 1 . . . . A 64 ILE CB . 34728 1 714 . 1 . 1 67 67 ILE CG1 C 13 30.372 0.400 . 1 . . . . A 64 ILE CG1 . 34728 1 715 . 1 . 1 67 67 ILE CG2 C 13 17.411 0.400 . 1 . . . . A 64 ILE CG2 . 34728 1 716 . 1 . 1 67 67 ILE CD1 C 13 14.219 0.400 . 1 . . . . A 64 ILE CD1 . 34728 1 717 . 1 . 1 67 67 ILE N N 15 118.619 0.400 . 1 . . . . A 64 ILE N . 34728 1 718 . 1 . 1 68 68 ASP H H 1 7.359 0.020 . 1 . . . . A 65 ASP H . 34728 1 719 . 1 . 1 68 68 ASP HA H 1 4.279 0.020 . 1 . . . . A 65 ASP HA . 34728 1 720 . 1 . 1 68 68 ASP HB2 H 1 2.611 0.020 . 2 . . . . A 65 ASP HB2 . 34728 1 721 . 1 . 1 68 68 ASP HB3 H 1 2.611 0.020 . 2 . . . . A 65 ASP HB3 . 34728 1 722 . 1 . 1 68 68 ASP CA C 13 57.191 0.400 . 1 . . . . A 65 ASP CA . 34728 1 723 . 1 . 1 68 68 ASP CB C 13 40.906 0.400 . 1 . . . . A 65 ASP CB . 34728 1 724 . 1 . 1 68 68 ASP N N 15 116.479 0.400 . 1 . . . . A 65 ASP N . 34728 1 725 . 1 . 1 69 69 ASN H H 1 7.374 0.020 . 1 . . . . A 66 ASN H . 34728 1 726 . 1 . 1 69 69 ASN HA H 1 4.600 0.020 . 1 . . . . A 66 ASN HA . 34728 1 727 . 1 . 1 69 69 ASN HB2 H 1 2.306 0.020 . 1 . . . . A 66 ASN HB2 . 34728 1 728 . 1 . 1 69 69 ASN HB3 H 1 2.539 0.020 . 1 . . . . A 66 ASN HB3 . 34728 1 729 . 1 . 1 69 69 ASN HD21 H 1 7.264 0.020 . 1 . . . . A 66 ASN HD21 . 34728 1 730 . 1 . 1 69 69 ASN HD22 H 1 7.643 0.020 . 1 . . . . A 66 ASN HD22 . 34728 1 731 . 1 . 1 69 69 ASN CA C 13 55.486 0.400 . 1 . . . . A 66 ASN CA . 34728 1 732 . 1 . 1 69 69 ASN CB C 13 42.443 0.400 . 1 . . . . A 66 ASN CB . 34728 1 733 . 1 . 1 69 69 ASN N N 15 112.681 0.400 . 1 . . . . A 66 ASN N . 34728 1 734 . 1 . 1 69 69 ASN ND2 N 15 115.412 0.400 . 1 . . . . A 66 ASN ND2 . 34728 1 735 . 1 . 1 70 70 MET H H 1 8.245 0.020 . 1 . . . . A 67 MET H . 34728 1 736 . 1 . 1 70 70 MET HA H 1 4.862 0.020 . 1 . . . . A 67 MET HA . 34728 1 737 . 1 . 1 70 70 MET HB2 H 1 2.083 0.020 . 1 . . . . A 67 MET HB2 . 34728 1 738 . 1 . 1 70 70 MET HB3 H 1 1.681 0.020 . 1 . . . . A 67 MET HB3 . 34728 1 739 . 1 . 1 70 70 MET HG2 H 1 1.964 0.020 . 2 . . . . A 67 MET HG2 . 34728 1 740 . 1 . 1 70 70 MET HG3 H 1 1.802 0.020 . 2 . . . . A 67 MET HG3 . 34728 1 741 . 1 . 1 70 70 MET HE1 H 1 1.353 0.020 . 1 . . . . A 67 MET HE1 . 34728 1 742 . 1 . 1 70 70 MET HE2 H 1 1.353 0.020 . 1 . . . . A 67 MET HE2 . 34728 1 743 . 1 . 1 70 70 MET HE3 H 1 1.353 0.020 . 1 . . . . A 67 MET HE3 . 34728 1 744 . 1 . 1 70 70 MET CA C 13 53.696 0.400 . 1 . . . . A 67 MET CA . 34728 1 745 . 1 . 1 70 70 MET CB C 13 33.067 0.400 . 1 . . . . A 67 MET CB . 34728 1 746 . 1 . 1 70 70 MET CG C 13 33.597 0.400 . 1 . . . . A 67 MET CG . 34728 1 747 . 1 . 1 70 70 MET CE C 13 16.733 0.400 . 1 . . . . A 67 MET CE . 34728 1 748 . 1 . 1 70 70 MET N N 15 113.598 0.400 . 1 . . . . A 67 MET N . 34728 1 749 . 1 . 1 71 71 ASN H H 1 8.177 0.020 . 1 . . . . A 68 ASN H . 34728 1 750 . 1 . 1 71 71 ASN HA H 1 4.366 0.020 . 1 . . . . A 68 ASN HA . 34728 1 751 . 1 . 1 71 71 ASN HB2 H 1 2.962 0.020 . 1 . . . . A 68 ASN HB2 . 34728 1 752 . 1 . 1 71 71 ASN HB3 H 1 3.258 0.020 . 1 . . . . A 68 ASN HB3 . 34728 1 753 . 1 . 1 71 71 ASN HD21 H 1 7.951 0.020 . 1 . . . . A 68 ASN HD21 . 34728 1 754 . 1 . 1 71 71 ASN HD22 H 1 7.104 0.020 . 1 . . . . A 68 ASN HD22 . 34728 1 755 . 1 . 1 71 71 ASN CA C 13 57.034 0.400 . 1 . . . . A 68 ASN CA . 34728 1 756 . 1 . 1 71 71 ASN CB C 13 38.839 0.400 . 1 . . . . A 68 ASN CB . 34728 1 757 . 1 . 1 71 71 ASN N N 15 119.583 0.400 . 1 . . . . A 68 ASN N . 34728 1 758 . 1 . 1 71 71 ASN ND2 N 15 116.311 0.400 . 1 . . . . A 68 ASN ND2 . 34728 1 759 . 1 . 1 72 72 GLU H H 1 8.613 0.020 . 1 . . . . A 69 GLU H . 34728 1 760 . 1 . 1 72 72 GLU HA H 1 3.959 0.020 . 1 . . . . A 69 GLU HA . 34728 1 761 . 1 . 1 72 72 GLU HB2 H 1 2.310 0.020 . 1 . . . . A 69 GLU HB2 . 34728 1 762 . 1 . 1 72 72 GLU HB3 H 1 2.200 0.020 . 1 . . . . A 69 GLU HB3 . 34728 1 763 . 1 . 1 72 72 GLU HG2 H 1 2.269 0.020 . 1 . . . . A 69 GLU HG2 . 34728 1 764 . 1 . 1 72 72 GLU HG3 H 1 2.139 0.020 . 1 . . . . A 69 GLU HG3 . 34728 1 765 . 1 . 1 72 72 GLU CA C 13 58.898 0.400 . 1 . . . . A 69 GLU CA . 34728 1 766 . 1 . 1 72 72 GLU CB C 13 26.656 0.400 . 1 . . . . A 69 GLU CB . 34728 1 767 . 1 . 1 72 72 GLU CG C 13 37.089 0.400 . 1 . . . . A 69 GLU CG . 34728 1 768 . 1 . 1 72 72 GLU N N 15 121.352 0.400 . 1 . . . . A 69 GLU N . 34728 1 769 . 1 . 1 73 73 SER H H 1 7.639 0.020 . 1 . . . . A 70 SER H . 34728 1 770 . 1 . 1 73 73 SER HA H 1 4.597 0.020 . 1 . . . . A 70 SER HA . 34728 1 771 . 1 . 1 73 73 SER HB2 H 1 4.070 0.020 . 1 . . . . A 70 SER HB2 . 34728 1 772 . 1 . 1 73 73 SER HB3 H 1 3.828 0.020 . 1 . . . . A 70 SER HB3 . 34728 1 773 . 1 . 1 73 73 SER CA C 13 58.002 0.400 . 1 . . . . A 70 SER CA . 34728 1 774 . 1 . 1 73 73 SER CB C 13 65.015 0.400 . 1 . . . . A 70 SER CB . 34728 1 775 . 1 . 1 73 73 SER N N 15 114.987 0.400 . 1 . . . . A 70 SER N . 34728 1 776 . 1 . 1 74 74 GLU H H 1 8.269 0.020 . 1 . . . . A 71 GLU H . 34728 1 777 . 1 . 1 74 74 GLU HA H 1 5.000 0.020 . 1 . . . . A 71 GLU HA . 34728 1 778 . 1 . 1 74 74 GLU HB2 H 1 1.775 0.020 . 1 . . . . A 71 GLU HB2 . 34728 1 779 . 1 . 1 74 74 GLU HB3 H 1 1.824 0.020 . 1 . . . . A 71 GLU HB3 . 34728 1 780 . 1 . 1 74 74 GLU HG2 H 1 2.070 0.020 . 1 . . . . A 71 GLU HG2 . 34728 1 781 . 1 . 1 74 74 GLU HG3 H 1 1.895 0.020 . 1 . . . . A 71 GLU HG3 . 34728 1 782 . 1 . 1 74 74 GLU CA C 13 55.298 0.400 . 1 . . . . A 71 GLU CA . 34728 1 783 . 1 . 1 74 74 GLU CB C 13 31.993 0.400 . 1 . . . . A 71 GLU CB . 34728 1 784 . 1 . 1 74 74 GLU CG C 13 36.608 0.400 . 1 . . . . A 71 GLU CG . 34728 1 785 . 1 . 1 74 74 GLU N N 15 117.593 0.400 . 1 . . . . A 71 GLU N . 34728 1 786 . 1 . 1 75 75 LEU H H 1 9.034 0.020 . 1 . . . . A 72 LEU H . 34728 1 787 . 1 . 1 75 75 LEU HA H 1 4.561 0.020 . 1 . . . . A 72 LEU HA . 34728 1 788 . 1 . 1 75 75 LEU HB2 H 1 1.727 0.020 . 1 . . . . A 72 LEU HB2 . 34728 1 789 . 1 . 1 75 75 LEU HB3 H 1 1.355 0.020 . 1 . . . . A 72 LEU HB3 . 34728 1 790 . 1 . 1 75 75 LEU HG H 1 1.703 0.020 . 1 . . . . A 72 LEU HG . 34728 1 791 . 1 . 1 75 75 LEU HD11 H 1 0.828 0.020 . 2 . . . . A 72 LEU HD11 . 34728 1 792 . 1 . 1 75 75 LEU HD12 H 1 0.828 0.020 . 2 . . . . A 72 LEU HD12 . 34728 1 793 . 1 . 1 75 75 LEU HD13 H 1 0.828 0.020 . 2 . . . . A 72 LEU HD13 . 34728 1 794 . 1 . 1 75 75 LEU HD21 H 1 0.700 0.020 . 2 . . . . A 72 LEU HD21 . 34728 1 795 . 1 . 1 75 75 LEU HD22 H 1 0.700 0.020 . 2 . . . . A 72 LEU HD22 . 34728 1 796 . 1 . 1 75 75 LEU HD23 H 1 0.700 0.020 . 2 . . . . A 72 LEU HD23 . 34728 1 797 . 1 . 1 75 75 LEU CA C 13 54.664 0.400 . 1 . . . . A 72 LEU CA . 34728 1 798 . 1 . 1 75 75 LEU CB C 13 45.068 0.400 . 1 . . . . A 72 LEU CB . 34728 1 799 . 1 . 1 75 75 LEU CG C 13 26.663 0.400 . 1 . . . . A 72 LEU CG . 34728 1 800 . 1 . 1 75 75 LEU CD1 C 13 23.607 0.400 . 1 . . . . A 72 LEU CD1 . 34728 1 801 . 1 . 1 75 75 LEU CD2 C 13 25.204 0.400 . 1 . . . . A 72 LEU CD2 . 34728 1 802 . 1 . 1 75 75 LEU N N 15 126.648 0.400 . 1 . . . . A 72 LEU N . 34728 1 803 . 1 . 1 76 76 PHE H H 1 9.809 0.020 . 1 . . . . A 73 PHE H . 34728 1 804 . 1 . 1 76 76 PHE HA H 1 3.936 0.020 . 1 . . . . A 73 PHE HA . 34728 1 805 . 1 . 1 76 76 PHE HB2 H 1 3.492 0.020 . 1 . . . . A 73 PHE HB2 . 34728 1 806 . 1 . 1 76 76 PHE HB3 H 1 2.710 0.020 . 1 . . . . A 73 PHE HB3 . 34728 1 807 . 1 . 1 76 76 PHE HD1 H 1 7.101 0.020 . 1 . . . . A 73 PHE HD1 . 34728 1 808 . 1 . 1 76 76 PHE HD2 H 1 7.101 0.020 . 1 . . . . A 73 PHE HD2 . 34728 1 809 . 1 . 1 76 76 PHE HE1 H 1 7.266 0.020 . 1 . . . . A 73 PHE HE1 . 34728 1 810 . 1 . 1 76 76 PHE HE2 H 1 7.266 0.020 . 1 . . . . A 73 PHE HE2 . 34728 1 811 . 1 . 1 76 76 PHE CA C 13 59.470 0.400 . 1 . . . . A 73 PHE CA . 34728 1 812 . 1 . 1 76 76 PHE CB C 13 37.191 0.400 . 1 . . . . A 73 PHE CB . 34728 1 813 . 1 . 1 76 76 PHE CD1 C 13 130.931 0.400 . 1 . . . . A 73 PHE CD1 . 34728 1 814 . 1 . 1 76 76 PHE CE1 C 13 131.571 0.400 . 1 . . . . A 73 PHE CE1 . 34728 1 815 . 1 . 1 76 76 PHE N N 15 128.923 0.400 . 1 . . . . A 73 PHE N . 34728 1 816 . 1 . 1 77 77 GLY H H 1 8.684 0.020 . 1 . . . . A 74 GLY H . 34728 1 817 . 1 . 1 77 77 GLY HA2 H 1 4.051 0.020 . 1 . . . . A 74 GLY HA2 . 34728 1 818 . 1 . 1 77 77 GLY HA3 H 1 3.640 0.020 . 1 . . . . A 74 GLY HA3 . 34728 1 819 . 1 . 1 77 77 GLY CA C 13 45.817 0.400 . 1 . . . . A 74 GLY CA . 34728 1 820 . 1 . 1 77 77 GLY N N 15 102.083 0.400 . 1 . . . . A 74 GLY N . 34728 1 821 . 1 . 1 78 78 ARG H H 1 7.553 0.020 . 1 . . . . A 75 ARG H . 34728 1 822 . 1 . 1 78 78 ARG HA H 1 4.779 0.020 . 1 . . . . A 75 ARG HA . 34728 1 823 . 1 . 1 78 78 ARG HB2 H 1 2.057 0.020 . 1 . . . . A 75 ARG HB2 . 34728 1 824 . 1 . 1 78 78 ARG HB3 H 1 1.823 0.020 . 1 . . . . A 75 ARG HB3 . 34728 1 825 . 1 . 1 78 78 ARG HG2 H 1 1.705 0.020 . 2 . . . . A 75 ARG HG2 . 34728 1 826 . 1 . 1 78 78 ARG HG3 H 1 1.705 0.020 . 2 . . . . A 75 ARG HG3 . 34728 1 827 . 1 . 1 78 78 ARG HD2 H 1 3.169 0.020 . 2 . . . . A 75 ARG HD2 . 34728 1 828 . 1 . 1 78 78 ARG HD3 H 1 3.169 0.020 . 2 . . . . A 75 ARG HD3 . 34728 1 829 . 1 . 1 78 78 ARG HE H 1 7.314 0.020 . 1 . . . . A 75 ARG HE . 34728 1 830 . 1 . 1 78 78 ARG CA C 13 53.740 0.400 . 1 . . . . A 75 ARG CA . 34728 1 831 . 1 . 1 78 78 ARG CB C 13 33.144 0.400 . 1 . . . . A 75 ARG CB . 34728 1 832 . 1 . 1 78 78 ARG CG C 13 26.659 0.400 . 1 . . . . A 75 ARG CG . 34728 1 833 . 1 . 1 78 78 ARG CD C 13 43.096 0.400 . 1 . . . . A 75 ARG CD . 34728 1 834 . 1 . 1 78 78 ARG N N 15 119.050 0.400 . 1 . . . . A 75 ARG N . 34728 1 835 . 1 . 1 78 78 ARG NE N 15 86.092 0.400 . 1 . . . . A 75 ARG NE . 34728 1 836 . 1 . 1 79 79 THR H H 1 8.381 0.020 . 1 . . . . A 76 THR H . 34728 1 837 . 1 . 1 79 79 THR HA H 1 4.599 0.020 . 1 . . . . A 76 THR HA . 34728 1 838 . 1 . 1 79 79 THR HB H 1 3.881 0.020 . 1 . . . . A 76 THR HB . 34728 1 839 . 1 . 1 79 79 THR HG21 H 1 1.100 0.020 . 1 . . . . A 76 THR HG21 . 34728 1 840 . 1 . 1 79 79 THR HG22 H 1 1.100 0.020 . 1 . . . . A 76 THR HG22 . 34728 1 841 . 1 . 1 79 79 THR HG23 H 1 1.100 0.020 . 1 . . . . A 76 THR HG23 . 34728 1 842 . 1 . 1 79 79 THR CA C 13 62.980 0.400 . 1 . . . . A 76 THR CA . 34728 1 843 . 1 . 1 79 79 THR CB C 13 69.422 0.400 . 1 . . . . A 76 THR CB . 34728 1 844 . 1 . 1 79 79 THR CG2 C 13 22.006 0.400 . 1 . . . . A 76 THR CG2 . 34728 1 845 . 1 . 1 79 79 THR N N 15 118.821 0.400 . 1 . . . . A 76 THR N . 34728 1 846 . 1 . 1 80 80 ILE H H 1 8.795 0.020 . 1 . . . . A 77 ILE H . 34728 1 847 . 1 . 1 80 80 ILE HA H 1 5.126 0.020 . 1 . . . . A 77 ILE HA . 34728 1 848 . 1 . 1 80 80 ILE HB H 1 1.944 0.020 . 1 . . . . A 77 ILE HB . 34728 1 849 . 1 . 1 80 80 ILE HG12 H 1 1.468 0.020 . 1 . . . . A 77 ILE HG12 . 34728 1 850 . 1 . 1 80 80 ILE HG13 H 1 1.505 0.020 . 1 . . . . A 77 ILE HG13 . 34728 1 851 . 1 . 1 80 80 ILE HG21 H 1 0.822 0.020 . 1 . . . . A 77 ILE HG21 . 34728 1 852 . 1 . 1 80 80 ILE HG22 H 1 0.822 0.020 . 1 . . . . A 77 ILE HG22 . 34728 1 853 . 1 . 1 80 80 ILE HG23 H 1 0.822 0.020 . 1 . . . . A 77 ILE HG23 . 34728 1 854 . 1 . 1 80 80 ILE HD11 H 1 0.630 0.020 . 1 . . . . A 77 ILE HD11 . 34728 1 855 . 1 . 1 80 80 ILE HD12 H 1 0.630 0.020 . 1 . . . . A 77 ILE HD12 . 34728 1 856 . 1 . 1 80 80 ILE HD13 H 1 0.630 0.020 . 1 . . . . A 77 ILE HD13 . 34728 1 857 . 1 . 1 80 80 ILE CA C 13 60.011 0.400 . 1 . . . . A 77 ILE CA . 34728 1 858 . 1 . 1 80 80 ILE CB C 13 40.672 0.400 . 1 . . . . A 77 ILE CB . 34728 1 859 . 1 . 1 80 80 ILE CG1 C 13 24.826 0.400 . 1 . . . . A 77 ILE CG1 . 34728 1 860 . 1 . 1 80 80 ILE CG2 C 13 19.092 0.400 . 1 . . . . A 77 ILE CG2 . 34728 1 861 . 1 . 1 80 80 ILE CD1 C 13 14.329 0.400 . 1 . . . . A 77 ILE CD1 . 34728 1 862 . 1 . 1 80 80 ILE N N 15 121.700 0.400 . 1 . . . . A 77 ILE N . 34728 1 863 . 1 . 1 81 81 ARG H H 1 8.163 0.020 . 1 . . . . A 78 ARG H . 34728 1 864 . 1 . 1 81 81 ARG HA H 1 4.999 0.020 . 1 . . . . A 78 ARG HA . 34728 1 865 . 1 . 1 81 81 ARG HB2 H 1 1.698 0.020 . 1 . . . . A 78 ARG HB2 . 34728 1 866 . 1 . 1 81 81 ARG HB3 H 1 1.823 0.020 . 1 . . . . A 78 ARG HB3 . 34728 1 867 . 1 . 1 81 81 ARG HG2 H 1 1.653 0.020 . 1 . . . . A 78 ARG HG2 . 34728 1 868 . 1 . 1 81 81 ARG HG3 H 1 1.697 0.020 . 1 . . . . A 78 ARG HG3 . 34728 1 869 . 1 . 1 81 81 ARG HD2 H 1 3.270 0.020 . 2 . . . . A 78 ARG HD2 . 34728 1 870 . 1 . 1 81 81 ARG HD3 H 1 3.270 0.020 . 2 . . . . A 78 ARG HD3 . 34728 1 871 . 1 . 1 81 81 ARG HE H 1 7.709 0.020 . 1 . . . . A 78 ARG HE . 34728 1 872 . 1 . 1 81 81 ARG CA C 13 53.623 0.400 . 1 . . . . A 78 ARG CA . 34728 1 873 . 1 . 1 81 81 ARG CB C 13 32.419 0.400 . 1 . . . . A 78 ARG CB . 34728 1 874 . 1 . 1 81 81 ARG CG C 13 27.176 0.400 . 1 . . . . A 78 ARG CG . 34728 1 875 . 1 . 1 81 81 ARG CD C 13 42.955 0.400 . 1 . . . . A 78 ARG CD . 34728 1 876 . 1 . 1 81 81 ARG N N 15 122.005 0.400 . 1 . . . . A 78 ARG N . 34728 1 877 . 1 . 1 81 81 ARG NE N 15 86.083 0.400 . 1 . . . . A 78 ARG NE . 34728 1 878 . 1 . 1 82 82 VAL H H 1 8.955 0.020 . 1 . . . . A 79 VAL H . 34728 1 879 . 1 . 1 82 82 VAL HA H 1 5.459 0.020 . 1 . . . . A 79 VAL HA . 34728 1 880 . 1 . 1 82 82 VAL HB H 1 1.791 0.020 . 1 . . . . A 79 VAL HB . 34728 1 881 . 1 . 1 82 82 VAL HG11 H 1 1.005 0.020 . 2 . . . . A 79 VAL HG11 . 34728 1 882 . 1 . 1 82 82 VAL HG12 H 1 1.005 0.020 . 2 . . . . A 79 VAL HG12 . 34728 1 883 . 1 . 1 82 82 VAL HG13 H 1 1.005 0.020 . 2 . . . . A 79 VAL HG13 . 34728 1 884 . 1 . 1 82 82 VAL HG21 H 1 1.005 0.020 . 2 . . . . A 79 VAL HG21 . 34728 1 885 . 1 . 1 82 82 VAL HG22 H 1 1.005 0.020 . 2 . . . . A 79 VAL HG22 . 34728 1 886 . 1 . 1 82 82 VAL HG23 H 1 1.005 0.020 . 2 . . . . A 79 VAL HG23 . 34728 1 887 . 1 . 1 82 82 VAL CA C 13 60.230 0.400 . 1 . . . . A 79 VAL CA . 34728 1 888 . 1 . 1 82 82 VAL CB C 13 35.382 0.400 . 1 . . . . A 79 VAL CB . 34728 1 889 . 1 . 1 82 82 VAL CG2 C 13 24.426 0.400 . 1 . . . . A 79 VAL CG2 . 34728 1 890 . 1 . 1 82 82 VAL N N 15 122.883 0.400 . 1 . . . . A 79 VAL N . 34728 1 891 . 1 . 1 83 83 ASN H H 1 8.895 0.020 . 1 . . . . A 80 ASN H . 34728 1 892 . 1 . 1 83 83 ASN HA H 1 4.769 0.020 . 1 . . . . A 80 ASN HA . 34728 1 893 . 1 . 1 83 83 ASN HB2 H 1 2.947 0.020 . 1 . . . . A 80 ASN HB2 . 34728 1 894 . 1 . 1 83 83 ASN HB3 H 1 2.801 0.020 . 1 . . . . A 80 ASN HB3 . 34728 1 895 . 1 . 1 83 83 ASN HD21 H 1 7.082 0.020 . 1 . . . . A 80 ASN HD21 . 34728 1 896 . 1 . 1 83 83 ASN HD22 H 1 6.511 0.020 . 1 . . . . A 80 ASN HD22 . 34728 1 897 . 1 . 1 83 83 ASN CA C 13 52.025 0.400 . 1 . . . . A 80 ASN CA . 34728 1 898 . 1 . 1 83 83 ASN CB C 13 42.194 0.400 . 1 . . . . A 80 ASN CB . 34728 1 899 . 1 . 1 83 83 ASN N N 15 119.955 0.400 . 1 . . . . A 80 ASN N . 34728 1 900 . 1 . 1 83 83 ASN ND2 N 15 111.311 0.400 . 1 . . . . A 80 ASN ND2 . 34728 1 901 . 1 . 1 84 84 LEU H H 1 8.911 0.020 . 1 . . . . A 81 LEU H . 34728 1 902 . 1 . 1 84 84 LEU HA H 1 4.422 0.020 . 1 . . . . A 81 LEU HA . 34728 1 903 . 1 . 1 84 84 LEU HB2 H 1 1.494 0.020 . 1 . . . . A 81 LEU HB2 . 34728 1 904 . 1 . 1 84 84 LEU HB3 H 1 1.627 0.020 . 1 . . . . A 81 LEU HB3 . 34728 1 905 . 1 . 1 84 84 LEU HG H 1 1.644 0.020 . 1 . . . . A 81 LEU HG . 34728 1 906 . 1 . 1 84 84 LEU HD11 H 1 0.751 0.020 . 2 . . . . A 81 LEU HD11 . 34728 1 907 . 1 . 1 84 84 LEU HD12 H 1 0.751 0.020 . 2 . . . . A 81 LEU HD12 . 34728 1 908 . 1 . 1 84 84 LEU HD13 H 1 0.751 0.020 . 2 . . . . A 81 LEU HD13 . 34728 1 909 . 1 . 1 84 84 LEU HD21 H 1 0.913 0.020 . 2 . . . . A 81 LEU HD21 . 34728 1 910 . 1 . 1 84 84 LEU HD22 H 1 0.913 0.020 . 2 . . . . A 81 LEU HD22 . 34728 1 911 . 1 . 1 84 84 LEU HD23 H 1 0.913 0.020 . 2 . . . . A 81 LEU HD23 . 34728 1 912 . 1 . 1 84 84 LEU CA C 13 56.716 0.400 . 1 . . . . A 81 LEU CA . 34728 1 913 . 1 . 1 84 84 LEU CB C 13 42.078 0.400 . 1 . . . . A 81 LEU CB . 34728 1 914 . 1 . 1 84 84 LEU CG C 13 26.883 0.400 . 1 . . . . A 81 LEU CG . 34728 1 915 . 1 . 1 84 84 LEU CD1 C 13 23.147 0.400 . 1 . . . . A 81 LEU CD1 . 34728 1 916 . 1 . 1 84 84 LEU CD2 C 13 25.287 0.400 . 1 . . . . A 81 LEU CD2 . 34728 1 917 . 1 . 1 84 84 LEU N N 15 121.741 0.400 . 1 . . . . A 81 LEU N . 34728 1 918 . 1 . 1 85 85 ALA H H 1 8.878 0.020 . 1 . . . . A 82 ALA H . 34728 1 919 . 1 . 1 85 85 ALA HA H 1 4.369 0.020 . 1 . . . . A 82 ALA HA . 34728 1 920 . 1 . 1 85 85 ALA HB1 H 1 1.418 0.020 . 1 . . . . A 82 ALA HB1 . 34728 1 921 . 1 . 1 85 85 ALA HB2 H 1 1.418 0.020 . 1 . . . . A 82 ALA HB2 . 34728 1 922 . 1 . 1 85 85 ALA HB3 H 1 1.418 0.020 . 1 . . . . A 82 ALA HB3 . 34728 1 923 . 1 . 1 85 85 ALA CA C 13 52.608 0.400 . 1 . . . . A 82 ALA CA . 34728 1 924 . 1 . 1 85 85 ALA CB C 13 20.464 0.400 . 1 . . . . A 82 ALA CB . 34728 1 925 . 1 . 1 85 85 ALA N N 15 126.946 0.400 . 1 . . . . A 82 ALA N . 34728 1 926 . 1 . 1 86 86 LYS H H 1 8.332 0.020 . 1 . . . . A 83 LYS H . 34728 1 927 . 1 . 1 86 86 LYS HG2 H 1 1.208 0.020 . 2 . . . . A 83 LYS HG2 . 34728 1 928 . 1 . 1 86 86 LYS HG3 H 1 1.158 0.020 . 2 . . . . A 83 LYS HG3 . 34728 1 929 . 1 . 1 86 86 LYS HD2 H 1 1.396 0.020 . 2 . . . . A 83 LYS HD2 . 34728 1 930 . 1 . 1 86 86 LYS HD3 H 1 1.358 0.020 . 2 . . . . A 83 LYS HD3 . 34728 1 931 . 1 . 1 86 86 LYS CG C 13 24.733 0.400 . 1 . . . . A 83 LYS CG . 34728 1 932 . 1 . 1 86 86 LYS CD C 13 29.110 0.400 . 1 . . . . A 83 LYS CD . 34728 1 933 . 1 . 1 86 86 LYS N N 15 120.335 0.400 . 1 . . . . A 83 LYS N . 34728 1 934 . 1 . 1 87 87 PRO HB2 H 1 1.731 0.020 . 2 . . . . A 84 PRO HB2 . 34728 1 935 . 1 . 1 87 87 PRO HB3 H 1 1.587 0.020 . 2 . . . . A 84 PRO HB3 . 34728 1 936 . 1 . 1 87 87 PRO HG2 H 1 1.785 0.020 . 1 . . . . A 84 PRO HG2 . 34728 1 937 . 1 . 1 87 87 PRO HG3 H 1 2.016 0.020 . 1 . . . . A 84 PRO HG3 . 34728 1 938 . 1 . 1 87 87 PRO HD2 H 1 3.541 0.020 . 1 . . . . A 84 PRO HD2 . 34728 1 939 . 1 . 1 87 87 PRO HD3 H 1 3.605 0.020 . 1 . . . . A 84 PRO HD3 . 34728 1 940 . 1 . 1 87 87 PRO CB C 13 33.640 0.400 . 1 . . . . A 84 PRO CB . 34728 1 941 . 1 . 1 87 87 PRO CG C 13 27.714 0.400 . 1 . . . . A 84 PRO CG . 34728 1 942 . 1 . 1 87 87 PRO CD C 13 50.505 0.400 . 1 . . . . A 84 PRO CD . 34728 1 943 . 1 . 1 88 88 MET HB2 H 1 2.570 0.020 . 2 . . . . A 85 MET HB2 . 34728 1 944 . 1 . 1 88 88 MET HB3 H 1 2.419 0.020 . 2 . . . . A 85 MET HB3 . 34728 1 945 . 1 . 1 88 88 MET HG2 H 1 2.067 0.020 . 2 . . . . A 85 MET HG2 . 34728 1 946 . 1 . 1 88 88 MET HG3 H 1 1.962 0.020 . 2 . . . . A 85 MET HG3 . 34728 1 947 . 1 . 1 88 88 MET HE1 H 1 1.774 0.020 . 1 . . . . A 85 MET HE1 . 34728 1 948 . 1 . 1 88 88 MET HE2 H 1 1.774 0.020 . 1 . . . . A 85 MET HE2 . 34728 1 949 . 1 . 1 88 88 MET HE3 H 1 1.774 0.020 . 1 . . . . A 85 MET HE3 . 34728 1 950 . 1 . 1 88 88 MET CB C 13 32.365 0.400 . 1 . . . . A 85 MET CB . 34728 1 951 . 1 . 1 88 88 MET CG C 13 33.704 0.400 . 1 . . . . A 85 MET CG . 34728 1 952 . 1 . 1 88 88 MET CE C 13 16.916 0.400 . 1 . . . . A 85 MET CE . 34728 1 953 . 1 . 1 89 89 ARG H H 1 8.262 0.020 . 1 . . . . A 86 ARG H . 34728 1 954 . 1 . 1 89 89 ARG HA H 1 4.336 0.020 . 1 . . . . A 86 ARG HA . 34728 1 955 . 1 . 1 89 89 ARG HB2 H 1 1.724 0.020 . 2 . . . . A 86 ARG HB2 . 34728 1 956 . 1 . 1 89 89 ARG HB3 H 1 1.620 0.020 . 2 . . . . A 86 ARG HB3 . 34728 1 957 . 1 . 1 89 89 ARG HG2 H 1 1.528 0.020 . 2 . . . . A 86 ARG HG2 . 34728 1 958 . 1 . 1 89 89 ARG HG3 H 1 1.477 0.020 . 2 . . . . A 86 ARG HG3 . 34728 1 959 . 1 . 1 89 89 ARG HD2 H 1 3.146 0.020 . 2 . . . . A 86 ARG HD2 . 34728 1 960 . 1 . 1 89 89 ARG HD3 H 1 3.146 0.020 . 2 . . . . A 86 ARG HD3 . 34728 1 961 . 1 . 1 89 89 ARG HE H 1 7.332 0.020 . 1 . . . . A 86 ARG HE . 34728 1 962 . 1 . 1 89 89 ARG CA C 13 55.808 0.400 . 1 . . . . A 86 ARG CA . 34728 1 963 . 1 . 1 89 89 ARG CB C 13 30.872 0.400 . 1 . . . . A 86 ARG CB . 34728 1 964 . 1 . 1 89 89 ARG CG C 13 27.118 0.400 . 1 . . . . A 86 ARG CG . 34728 1 965 . 1 . 1 89 89 ARG CD C 13 43.341 0.400 . 1 . . . . A 86 ARG CD . 34728 1 966 . 1 . 1 89 89 ARG N N 15 120.148 0.400 . 1 . . . . A 86 ARG N . 34728 1 967 . 1 . 1 89 89 ARG NE N 15 84.773 0.400 . 1 . . . . A 86 ARG NE . 34728 1 968 . 1 . 1 90 90 ILE H H 1 8.157 0.020 . 1 . . . . A 87 ILE H . 34728 1 969 . 1 . 1 90 90 ILE HA H 1 4.074 0.020 . 1 . . . . A 87 ILE HA . 34728 1 970 . 1 . 1 90 90 ILE HB H 1 1.772 0.020 . 1 . . . . A 87 ILE HB . 34728 1 971 . 1 . 1 90 90 ILE HG12 H 1 1.364 0.020 . 2 . . . . A 87 ILE HG12 . 34728 1 972 . 1 . 1 90 90 ILE HG13 H 1 1.088 0.020 . 2 . . . . A 87 ILE HG13 . 34728 1 973 . 1 . 1 90 90 ILE HG21 H 1 0.796 0.020 . 1 . . . . A 87 ILE HG21 . 34728 1 974 . 1 . 1 90 90 ILE HG22 H 1 0.796 0.020 . 1 . . . . A 87 ILE HG22 . 34728 1 975 . 1 . 1 90 90 ILE HG23 H 1 0.796 0.020 . 1 . . . . A 87 ILE HG23 . 34728 1 976 . 1 . 1 90 90 ILE HD11 H 1 0.769 0.020 . 1 . . . . A 87 ILE HD11 . 34728 1 977 . 1 . 1 90 90 ILE HD12 H 1 0.769 0.020 . 1 . . . . A 87 ILE HD12 . 34728 1 978 . 1 . 1 90 90 ILE HD13 H 1 0.769 0.020 . 1 . . . . A 87 ILE HD13 . 34728 1 979 . 1 . 1 90 90 ILE CA C 13 60.932 0.400 . 1 . . . . A 87 ILE CA . 34728 1 980 . 1 . 1 90 90 ILE CB C 13 38.633 0.400 . 1 . . . . A 87 ILE CB . 34728 1 981 . 1 . 1 90 90 ILE CG1 C 13 27.296 0.400 . 1 . . . . A 87 ILE CG1 . 34728 1 982 . 1 . 1 90 90 ILE CG2 C 13 17.609 0.400 . 1 . . . . A 87 ILE CG2 . 34728 1 983 . 1 . 1 90 90 ILE CD1 C 13 12.931 0.400 . 1 . . . . A 87 ILE CD1 . 34728 1 984 . 1 . 1 90 90 ILE N N 15 122.647 0.400 . 1 . . . . A 87 ILE N . 34728 1 985 . 1 . 1 91 91 LYS H H 1 8.245 0.020 . 1 . . . . A 88 LYS H . 34728 1 986 . 1 . 1 91 91 LYS HA H 1 4.288 0.020 . 1 . . . . A 88 LYS HA . 34728 1 987 . 1 . 1 91 91 LYS HB2 H 1 1.792 0.020 . 2 . . . . A 88 LYS HB2 . 34728 1 988 . 1 . 1 91 91 LYS HB3 H 1 1.708 0.020 . 2 . . . . A 88 LYS HB3 . 34728 1 989 . 1 . 1 91 91 LYS HG2 H 1 1.387 0.020 . 2 . . . . A 88 LYS HG2 . 34728 1 990 . 1 . 1 91 91 LYS HG3 H 1 1.366 0.020 . 2 . . . . A 88 LYS HG3 . 34728 1 991 . 1 . 1 91 91 LYS HD2 H 1 1.645 0.020 . 2 . . . . A 88 LYS HD2 . 34728 1 992 . 1 . 1 91 91 LYS HD3 H 1 1.597 0.020 . 2 . . . . A 88 LYS HD3 . 34728 1 993 . 1 . 1 91 91 LYS HE2 H 1 2.960 0.020 . 2 . . . . A 88 LYS HE2 . 34728 1 994 . 1 . 1 91 91 LYS HE3 H 1 2.960 0.020 . 2 . . . . A 88 LYS HE3 . 34728 1 995 . 1 . 1 91 91 LYS CA C 13 56.542 0.400 . 1 . . . . A 88 LYS CA . 34728 1 996 . 1 . 1 91 91 LYS CB C 13 33.271 0.400 . 1 . . . . A 88 LYS CB . 34728 1 997 . 1 . 1 91 91 LYS CG C 13 24.727 0.400 . 1 . . . . A 88 LYS CG . 34728 1 998 . 1 . 1 91 91 LYS CD C 13 29.155 0.400 . 1 . . . . A 88 LYS CD . 34728 1 999 . 1 . 1 91 91 LYS CE C 13 42.151 0.400 . 1 . . . . A 88 LYS CE . 34728 1 1000 . 1 . 1 91 91 LYS N N 15 125.410 0.400 . 1 . . . . A 88 LYS N . 34728 1 1001 . 1 . 1 92 92 GLU H H 1 8.412 0.020 . 1 . . . . A 89 GLU H . 34728 1 1002 . 1 . 1 92 92 GLU HA H 1 4.292 0.020 . 1 . . . . A 89 GLU HA . 34728 1 1003 . 1 . 1 92 92 GLU HG2 H 1 2.225 0.020 . 2 . . . . A 89 GLU HG2 . 34728 1 1004 . 1 . 1 92 92 GLU HG3 H 1 2.225 0.020 . 2 . . . . A 89 GLU HG3 . 34728 1 1005 . 1 . 1 92 92 GLU CA C 13 56.368 0.400 . 1 . . . . A 89 GLU CA . 34728 1 1006 . 1 . 1 92 92 GLU CG C 13 36.289 0.400 . 1 . . . . A 89 GLU CG . 34728 1 1007 . 1 . 1 92 92 GLU N N 15 122.981 0.400 . 1 . . . . A 89 GLU N . 34728 1 1008 . 1 . 1 93 93 GLY H H 1 7.950 0.020 . 1 . . . . A 90 GLY H . 34728 1 1009 . 1 . 1 93 93 GLY HA2 H 1 3.740 0.020 . 2 . . . . A 90 GLY HA2 . 34728 1 1010 . 1 . 1 93 93 GLY HA3 H 1 3.708 0.020 . 2 . . . . A 90 GLY HA3 . 34728 1 1011 . 1 . 1 93 93 GLY CA C 13 46.167 0.400 . 1 . . . . A 90 GLY CA . 34728 1 1012 . 1 . 1 93 93 GLY N N 15 116.114 0.400 . 1 . . . . A 90 GLY N . 34728 1 1013 . 3 . 3 3 3 THR H H 1 8.112 0.020 . 1 . . . . D 3 THR H . 34728 1 1014 . 3 . 3 3 3 THR HA H 1 4.369 0.020 . 1 . . . . D 3 THR HA . 34728 1 1015 . 3 . 3 3 3 THR HB H 1 4.271 0.020 . 1 . . . . D 3 THR HB . 34728 1 1016 . 3 . 3 3 3 THR HG21 H 1 1.202 0.020 . 1 . . . . D 3 THR HG21 . 34728 1 1017 . 3 . 3 3 3 THR HG22 H 1 1.202 0.020 . 1 . . . . D 3 THR HG22 . 34728 1 1018 . 3 . 3 3 3 THR HG23 H 1 1.202 0.020 . 1 . . . . D 3 THR HG23 . 34728 1 1019 . 3 . 3 3 3 THR CA C 13 61.845 0.400 . 1 . . . . D 3 THR CA . 34728 1 1020 . 3 . 3 3 3 THR CB C 13 69.773 0.400 . 1 . . . . D 3 THR CB . 34728 1 1021 . 3 . 3 3 3 THR CG2 C 13 21.409 0.400 . 1 . . . . D 3 THR CG2 . 34728 1 1022 . 3 . 3 3 3 THR N N 15 113.084 0.400 . 1 . . . . D 3 THR N . 34728 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 34728 _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' . . . 34728 2 2 '2D 1H-13C HSQC aliphatic' . . . 34728 2 3 '2D 1H-13C HSQC aromatic' . . . 34728 2 4 '3D 1H-15N NOESY' . . . 34728 2 5 '3D 1H-13C NOESY aliphatic' . . . 34728 2 6 '3D 1H-13C NOESY aromatic' . . . 34728 2 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 2 8 '2D F2- FILTERED NOESY' . . . 34728 2 9 '3D 1H-13C NOESY aliphatic' . . . 34728 2 10 '3D 1H-13C NOESY aliphatic' . . . 34728 2 11 '3D 1H-13C NOESY aromatic' . . . 34728 2 12 '3D 1H-13C NOESY aromatic' . . . 34728 2 13 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 2 14 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 2 15 '2D F2- FILTERED NOESY' . . . 34728 2 16 '2D F2- FILTERED NOESY' . . . 34728 2 17 '2D 1H-13C HSQC aliphatic' . . . 34728 2 18 '2D 1H-13C HSQC aliphatic' . . . 34728 2 19 '2D 1H-13C HSQC aromatic' . . . 34728 2 20 '2D 1H-13C HSQC aromatic' . . . 34728 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 . 3 . 3 1 1 ALA HA H 1 4.172 0.020 . 1 . . . . D 1 ALA HA . 34728 2 2 . 3 . 3 1 1 ALA HB1 H 1 1.502 0.020 . 1 . . . . D 1 ALA HB1 . 34728 2 3 . 3 . 3 1 1 ALA HB2 H 1 1.502 0.020 . 1 . . . . D 1 ALA HB2 . 34728 2 4 . 3 . 3 1 1 ALA HB3 H 1 1.502 0.020 . 1 . . . . D 1 ALA HB3 . 34728 2 5 . 3 . 3 2 2 ARG HA H 1 4.497 0.020 . 1 . . . . D 2 ARG HA . 34728 2 6 . 3 . 3 2 2 ARG HB2 H 1 1.845 0.020 . 2 . . . . D 2 ARG HB2 . 34728 2 7 . 3 . 3 2 2 ARG HB3 H 1 1.768 0.020 . 2 . . . . D 2 ARG HB3 . 34728 2 8 . 3 . 3 2 2 ARG HG2 H 1 1.697 0.020 . 2 . . . . D 2 ARG HG2 . 34728 2 9 . 3 . 3 2 2 ARG HG3 H 1 1.654 0.020 . 2 . . . . D 2 ARG HG3 . 34728 2 10 . 3 . 3 2 2 ARG HD2 H 1 3.194 0.020 . 2 . . . . D 2 ARG HD2 . 34728 2 11 . 3 . 3 2 2 ARG HD3 H 1 3.194 0.020 . 2 . . . . D 2 ARG HD3 . 34728 2 12 . 3 . 3 3 3 THR HA H 1 4.292 0.020 . 1 . . . . D 3 THR HA . 34728 2 13 . 3 . 3 3 3 THR HG21 H 1 1.149 0.020 . 1 . . . . D 3 THR HG21 . 34728 2 14 . 3 . 3 3 3 THR HG22 H 1 1.149 0.020 . 1 . . . . D 3 THR HG22 . 34728 2 15 . 3 . 3 3 3 THR HG23 H 1 1.149 0.020 . 1 . . . . D 3 THR HG23 . 34728 2 16 . 3 . 3 4 4 M3L HB2 H 1 1.772 0.020 . 2 . . . . D 4 M3L HB2 . 34728 2 17 . 3 . 3 4 4 M3L HB3 H 1 1.772 0.020 . 2 . . . . D 4 M3L HB3 . 34728 2 18 . 3 . 3 4 4 M3L HD2 H 1 3.053 0.020 . 2 . . . . D 4 M3L HD2 . 34728 2 19 . 3 . 3 4 4 M3L HD3 H 1 3.053 0.020 . 2 . . . . D 4 M3L HD3 . 34728 2 20 . 3 . 3 4 4 M3L HG2 H 1 1.487 0.020 . 2 . . . . D 4 M3L HG2 . 34728 2 21 . 3 . 3 4 4 M3L HG3 H 1 1.407 0.020 . 2 . . . . D 4 M3L HG3 . 34728 2 22 . 3 . 3 4 4 M3L HM11 C 13 3.086 0.020 . 1 . . . . D 4 M3L HM11 . 34728 2 23 . 3 . 3 4 4 M3L HM12 C 13 3.086 0.020 . 1 . . . . D 4 M3L HM12 . 34728 2 24 . 3 . 3 4 4 M3L HM13 C 13 3.086 0.020 . 1 . . . . D 4 M3L HM13 . 34728 2 25 . 3 . 3 4 4 M3L HM21 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM21 . 34728 2 26 . 3 . 3 4 4 M3L HM22 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM22 . 34728 2 27 . 3 . 3 4 4 M3L HM23 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM23 . 34728 2 28 . 3 . 3 4 4 M3L HM31 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM31 . 34728 2 29 . 3 . 3 4 4 M3L HM32 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM32 . 34728 2 30 . 3 . 3 4 4 M3L HM33 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM33 . 34728 2 31 . 3 . 3 5 5 GLN HA H 1 4.456 0.020 . 1 . . . . D 5 GLN HA . 34728 2 32 . 3 . 3 5 5 GLN HB2 H 1 2.107 0.020 . 2 . . . . D 5 GLN HB2 . 34728 2 33 . 3 . 3 5 5 GLN HB3 H 1 2.000 0.020 . 2 . . . . D 5 GLN HB3 . 34728 2 34 . 3 . 3 5 5 GLN HG2 H 1 2.371 0.020 . 2 . . . . D 5 GLN HG2 . 34728 2 35 . 3 . 3 5 5 GLN HG3 H 1 2.371 0.020 . 2 . . . . D 5 GLN HG3 . 34728 2 36 . 3 . 3 6 6 THR HG21 H 1 1.212 0.020 . 1 . . . . D 6 THR HG21 . 34728 2 37 . 3 . 3 6 6 THR HG22 H 1 1.212 0.020 . 1 . . . . D 6 THR HG22 . 34728 2 38 . 3 . 3 6 6 THR HG23 H 1 1.212 0.020 . 1 . . . . D 6 THR HG23 . 34728 2 39 . 3 . 3 7 7 ALA HA H 1 4.336 0.020 . 1 . . . . D 7 ALA HA . 34728 2 40 . 3 . 3 7 7 ALA HB1 H 1 1.401 0.020 . 1 . . . . D 7 ALA HB1 . 34728 2 41 . 3 . 3 7 7 ALA HB2 H 1 1.401 0.020 . 1 . . . . D 7 ALA HB2 . 34728 2 42 . 3 . 3 7 7 ALA HB3 H 1 1.401 0.020 . 1 . . . . D 7 ALA HB3 . 34728 2 43 . 3 . 3 8 8 ARG HA H 1 4.251 0.020 . 1 . . . . D 8 ARG HA . 34728 2 44 . 3 . 3 8 8 ARG HB2 H 1 1.812 0.020 . 2 . . . . D 8 ARG HB2 . 34728 2 45 . 3 . 3 8 8 ARG HB3 H 1 1.731 0.020 . 2 . . . . D 8 ARG HB3 . 34728 2 46 . 3 . 3 8 8 ARG HG2 H 1 1.601 0.020 . 2 . . . . D 8 ARG HG2 . 34728 2 47 . 3 . 3 8 8 ARG HG3 H 1 1.601 0.020 . 2 . . . . D 8 ARG HG3 . 34728 2 48 . 3 . 3 8 8 ARG HD2 H 1 3.144 0.020 . 2 . . . . D 8 ARG HD2 . 34728 2 49 . 3 . 3 8 8 ARG HD3 H 1 3.144 0.020 . 2 . . . . D 8 ARG HD3 . 34728 2 50 . 3 . 3 9 9 LYS HA H 1 4.364 0.020 . 1 . . . . D 9 LYS HA . 34728 2 51 . 3 . 3 9 9 LYS HB2 H 1 1.835 0.020 . 2 . . . . D 9 LYS HB2 . 34728 2 52 . 3 . 3 9 9 LYS HB3 H 1 1.762 0.020 . 2 . . . . D 9 LYS HB3 . 34728 2 53 . 3 . 3 9 9 LYS HG2 H 1 1.460 0.020 . 2 . . . . D 9 LYS HG2 . 34728 2 54 . 3 . 3 9 9 LYS HG3 H 1 1.410 0.020 . 2 . . . . D 9 LYS HG3 . 34728 2 55 . 3 . 3 9 9 LYS HD2 H 1 1.670 0.020 . 2 . . . . D 9 LYS HD2 . 34728 2 56 . 3 . 3 9 9 LYS HD3 H 1 1.670 0.020 . 2 . . . . D 9 LYS HD3 . 34728 2 57 . 3 . 3 9 9 LYS HE2 H 1 2.974 0.020 . 2 . . . . D 9 LYS HE2 . 34728 2 58 . 3 . 3 9 9 LYS HE3 H 1 2.974 0.020 . 2 . . . . D 9 LYS HE3 . 34728 2 59 . 3 . 3 10 10 SER HA H 1 4.516 0.020 . 1 . . . . D 10 SER HA . 34728 2 60 . 3 . 3 10 10 SER HB2 H 1 3.915 0.020 . 2 . . . . D 10 SER HB2 . 34728 2 61 . 3 . 3 10 10 SER HB3 H 1 3.862 0.020 . 2 . . . . D 10 SER HB3 . 34728 2 62 . 3 . 3 12 12 GLY HA2 H 1 4.018 0.020 . 2 . . . . D 12 GLY HA2 . 34728 2 63 . 3 . 3 12 12 GLY HA3 H 1 3.932 0.020 . 2 . . . . D 12 GLY HA3 . 34728 2 64 . 3 . 3 13 13 GLY HA2 H 1 4.003 0.020 . 2 . . . . D 13 GLY HA2 . 34728 2 65 . 3 . 3 13 13 GLY HA3 H 1 3.948 0.020 . 2 . . . . D 13 GLY HA3 . 34728 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 34728 _Assigned_chem_shift_list.ID 3 _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' . . . 34728 3 2 '2D 1H-13C HSQC aliphatic' . . . 34728 3 3 '2D 1H-13C HSQC aromatic' . . . 34728 3 4 '3D 1H-15N NOESY' . . . 34728 3 5 '3D 1H-13C NOESY aliphatic' . . . 34728 3 6 '3D 1H-13C NOESY aromatic' . . . 34728 3 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 3 8 '2D F2- FILTERED NOESY' . . . 34728 3 9 '3D 1H-13C NOESY aliphatic' . . . 34728 3 10 '3D 1H-13C NOESY aliphatic' . . . 34728 3 11 '3D 1H-13C NOESY aromatic' . . . 34728 3 12 '3D 1H-13C NOESY aromatic' . . . 34728 3 13 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 3 14 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 3 15 '2D F2- FILTERED NOESY' . . . 34728 3 16 '2D F2- FILTERED NOESY' . . . 34728 3 17 '2D 1H-13C HSQC aliphatic' . . . 34728 3 18 '2D 1H-13C HSQC aliphatic' . . . 34728 3 19 '2D 1H-13C HSQC aromatic' . . . 34728 3 20 '2D 1H-13C HSQC aromatic' . . . 34728 3 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 4.185 0.020 . 1 . . . . B 1564 ALA HA . 34728 3 2 . 2 . 2 1 1 ALA HB1 H 1 1.259 0.020 . 1 . . . . B 1564 ALA HB1 . 34728 3 3 . 2 . 2 1 1 ALA HB2 H 1 1.259 0.020 . 1 . . . . B 1564 ALA HB2 . 34728 3 4 . 2 . 2 1 1 ALA HB3 H 1 1.259 0.020 . 1 . . . . B 1564 ALA HB3 . 34728 3 5 . 2 . 2 1 1 ALA CA C 13 52.730 0.400 . 1 . . . . B 1564 ALA CA . 34728 3 6 . 2 . 2 1 1 ALA CB C 13 19.290 0.400 . 1 . . . . B 1564 ALA CB . 34728 3 7 . 2 . 2 2 2 LYS H H 1 8.199 0.020 . 1 . . . . B 1565 LYS H . 34728 3 8 . 2 . 2 2 2 LYS HA H 1 4.187 0.020 . 1 . . . . B 1565 LYS HA . 34728 3 9 . 2 . 2 2 2 LYS HB2 H 1 1.728 0.020 . 2 . . . . B 1565 LYS HB2 . 34728 3 10 . 2 . 2 2 2 LYS HB3 H 1 1.641 0.020 . 2 . . . . B 1565 LYS HB3 . 34728 3 11 . 2 . 2 2 2 LYS HG2 H 1 1.352 0.020 . 2 . . . . B 1565 LYS HG2 . 34728 3 12 . 2 . 2 2 2 LYS HG3 H 1 1.266 0.020 . 2 . . . . B 1565 LYS HG3 . 34728 3 13 . 2 . 2 2 2 LYS HD2 H 1 1.630 0.020 . 2 . . . . B 1565 LYS HD2 . 34728 3 14 . 2 . 2 2 2 LYS HD3 H 1 1.589 0.020 . 2 . . . . B 1565 LYS HD3 . 34728 3 15 . 2 . 2 2 2 LYS HE2 H 1 2.890 0.020 . 2 . . . . B 1565 LYS HE2 . 34728 3 16 . 2 . 2 2 2 LYS HE3 H 1 2.890 0.020 . 2 . . . . B 1565 LYS HE3 . 34728 3 17 . 2 . 2 2 2 LYS CA C 13 56.538 0.400 . 1 . . . . B 1565 LYS CA . 34728 3 18 . 2 . 2 2 2 LYS CB C 13 33.027 0.400 . 1 . . . . B 1565 LYS CB . 34728 3 19 . 2 . 2 2 2 LYS CG C 13 24.679 0.400 . 1 . . . . B 1565 LYS CG . 34728 3 20 . 2 . 2 2 2 LYS CD C 13 27.729 0.400 . 1 . . . . B 1565 LYS CD . 34728 3 21 . 2 . 2 2 2 LYS CE C 13 42.264 0.400 . 1 . . . . B 1565 LYS CE . 34728 3 22 . 2 . 2 2 2 LYS N N 15 120.051 0.400 . 1 . . . . B 1565 LYS N . 34728 3 23 . 2 . 2 3 3 GLY H H 1 8.216 0.020 . 1 . . . . B 1566 GLY H . 34728 3 24 . 2 . 2 3 3 GLY HA2 H 1 3.878 0.020 . 2 . . . . B 1566 GLY HA2 . 34728 3 25 . 2 . 2 3 3 GLY HA3 H 1 3.878 0.020 . 2 . . . . B 1566 GLY HA3 . 34728 3 26 . 2 . 2 3 3 GLY CA C 13 45.312 0.400 . 1 . . . . B 1566 GLY CA . 34728 3 27 . 2 . 2 3 3 GLY N N 15 109.398 0.400 . 1 . . . . B 1566 GLY N . 34728 3 28 . 2 . 2 4 4 ASN H H 1 8.176 0.020 . 1 . . . . B 1567 ASN H . 34728 3 29 . 2 . 2 4 4 ASN HA H 1 4.761 0.020 . 1 . . . . B 1567 ASN HA . 34728 3 30 . 2 . 2 4 4 ASN HB2 H 1 2.579 0.020 . 2 . . . . B 1567 ASN HB2 . 34728 3 31 . 2 . 2 4 4 ASN HB3 H 1 2.525 0.020 . 2 . . . . B 1567 ASN HB3 . 34728 3 32 . 2 . 2 4 4 ASN HD21 H 1 7.220 0.020 . 2 . . . . B 1567 ASN HD21 . 34728 3 33 . 2 . 2 4 4 ASN HD22 H 1 6.825 0.020 . 2 . . . . B 1567 ASN HD22 . 34728 3 34 . 2 . 2 4 4 ASN CA C 13 52.803 0.400 . 1 . . . . B 1567 ASN CA . 34728 3 35 . 2 . 2 4 4 ASN CB C 13 39.090 0.400 . 1 . . . . B 1567 ASN CB . 34728 3 36 . 2 . 2 4 4 ASN N N 15 118.574 0.400 . 1 . . . . B 1567 ASN N . 34728 3 37 . 2 . 2 4 4 ASN ND2 N 15 113.191 0.400 . 1 . . . . B 1567 ASN ND2 . 34728 3 38 . 2 . 2 5 5 PHE HA H 1 4.267 0.020 . 1 . . . . B 1568 PHE HA . 34728 3 39 . 2 . 2 5 5 PHE HB2 H 1 2.961 0.020 . 2 . . . . B 1568 PHE HB2 . 34728 3 40 . 2 . 2 5 5 PHE HB3 H 1 2.961 0.020 . 2 . . . . B 1568 PHE HB3 . 34728 3 41 . 2 . 2 5 5 PHE HD1 H 1 7.027 0.020 . 1 . . . . B 1568 PHE HD1 . 34728 3 42 . 2 . 2 5 5 PHE HD2 H 1 7.027 0.020 . 1 . . . . B 1568 PHE HD2 . 34728 3 43 . 2 . 2 5 5 PHE HE1 H 1 7.266 0.020 . 1 . . . . B 1568 PHE HE1 . 34728 3 44 . 2 . 2 5 5 PHE HE2 H 1 7.266 0.020 . 1 . . . . B 1568 PHE HE2 . 34728 3 45 . 2 . 2 5 5 PHE HZ H 1 7.262 0.020 . 1 . . . . B 1568 PHE HZ . 34728 3 46 . 2 . 2 5 5 PHE CA C 13 59.414 0.400 . 1 . . . . B 1568 PHE CA . 34728 3 47 . 2 . 2 5 5 PHE CB C 13 38.451 0.400 . 1 . . . . B 1568 PHE CB . 34728 3 48 . 2 . 2 5 5 PHE CD1 C 13 131.984 0.400 . 1 . . . . B 1568 PHE CD1 . 34728 3 49 . 2 . 2 5 5 PHE CE1 C 13 131.283 0.400 . 1 . . . . B 1568 PHE CE1 . 34728 3 50 . 2 . 2 5 5 PHE CZ C 13 129.751 0.400 . 1 . . . . B 1568 PHE CZ . 34728 3 51 . 2 . 2 6 6 CYS H H 1 8.286 0.020 . 1 . . . . B 1569 CYS H . 34728 3 52 . 2 . 2 6 6 CYS HA H 1 5.155 0.020 . 1 . . . . B 1569 CYS HA . 34728 3 53 . 2 . 2 6 6 CYS HB2 H 1 3.362 0.020 . 2 . . . . B 1569 CYS HB2 . 34728 3 54 . 2 . 2 6 6 CYS HB3 H 1 3.055 0.020 . 2 . . . . B 1569 CYS HB3 . 34728 3 55 . 2 . 2 6 6 CYS CA C 13 55.734 0.400 . 1 . . . . B 1569 CYS CA . 34728 3 56 . 2 . 2 6 6 CYS CB C 13 31.920 0.400 . 1 . . . . B 1569 CYS CB . 34728 3 57 . 2 . 2 6 6 CYS N N 15 127.623 0.400 . 1 . . . . B 1569 CYS N . 34728 3 58 . 2 . 2 7 7 PRO HA H 1 4.330 0.020 . 1 . . . . B 1570 PRO HA . 34728 3 59 . 2 . 2 7 7 PRO HB2 H 1 2.392 0.020 . 2 . . . . B 1570 PRO HB2 . 34728 3 60 . 2 . 2 7 7 PRO HB3 H 1 2.392 0.020 . 2 . . . . B 1570 PRO HB3 . 34728 3 61 . 2 . 2 7 7 PRO HG2 H 1 2.025 0.020 . 2 . . . . B 1570 PRO HG2 . 34728 3 62 . 2 . 2 7 7 PRO HG3 H 1 2.025 0.020 . 2 . . . . B 1570 PRO HG3 . 34728 3 63 . 2 . 2 7 7 PRO HD2 H 1 4.301 0.020 . 2 . . . . B 1570 PRO HD2 . 34728 3 64 . 2 . 2 7 7 PRO HD3 H 1 4.045 0.020 . 2 . . . . B 1570 PRO HD3 . 34728 3 65 . 2 . 2 7 7 PRO CA C 13 63.116 0.400 . 1 . . . . B 1570 PRO CA . 34728 3 66 . 2 . 2 7 7 PRO CB C 13 31.087 0.400 . 1 . . . . B 1570 PRO CB . 34728 3 67 . 2 . 2 7 7 PRO CG C 13 27.261 0.400 . 1 . . . . B 1570 PRO CG . 34728 3 68 . 2 . 2 7 7 PRO CD C 13 51.474 0.400 . 1 . . . . B 1570 PRO CD . 34728 3 69 . 2 . 2 8 8 LEU H H 1 7.831 0.020 . 1 . . . . B 1571 LEU H . 34728 3 70 . 2 . 2 8 8 LEU HB2 H 1 1.939 0.020 . 2 . . . . B 1571 LEU HB2 . 34728 3 71 . 2 . 2 8 8 LEU HB3 H 1 1.703 0.020 . 2 . . . . B 1571 LEU HB3 . 34728 3 72 . 2 . 2 8 8 LEU HG H 1 1.717 0.020 . 1 . . . . B 1571 LEU HG . 34728 3 73 . 2 . 2 8 8 LEU HD11 H 1 1.010 0.020 . 2 . . . . B 1571 LEU HD11 . 34728 3 74 . 2 . 2 8 8 LEU HD12 H 1 1.010 0.020 . 2 . . . . B 1571 LEU HD12 . 34728 3 75 . 2 . 2 8 8 LEU HD13 H 1 1.010 0.020 . 2 . . . . B 1571 LEU HD13 . 34728 3 76 . 2 . 2 8 8 LEU HD21 H 1 0.926 0.020 . 2 . . . . B 1571 LEU HD21 . 34728 3 77 . 2 . 2 8 8 LEU HD22 H 1 0.926 0.020 . 2 . . . . B 1571 LEU HD22 . 34728 3 78 . 2 . 2 8 8 LEU HD23 H 1 0.926 0.020 . 2 . . . . B 1571 LEU HD23 . 34728 3 79 . 2 . 2 8 8 LEU CB C 13 42.511 0.400 . 1 . . . . B 1571 LEU CB . 34728 3 80 . 2 . 2 8 8 LEU CG C 13 28.080 0.400 . 1 . . . . B 1571 LEU CG . 34728 3 81 . 2 . 2 8 8 LEU CD1 C 13 25.990 0.400 . 1 . . . . B 1571 LEU CD1 . 34728 3 82 . 2 . 2 8 8 LEU CD2 C 13 23.241 0.400 . 1 . . . . B 1571 LEU CD2 . 34728 3 83 . 2 . 2 8 8 LEU N N 15 117.654 0.400 . 1 . . . . B 1571 LEU N . 34728 3 84 . 2 . 2 9 9 CYS H H 1 9.146 0.020 . 1 . . . . B 1572 CYS H . 34728 3 85 . 2 . 2 9 9 CYS HB2 H 1 3.609 0.020 . 2 . . . . B 1572 CYS HB2 . 34728 3 86 . 2 . 2 9 9 CYS HB3 H 1 3.609 0.020 . 2 . . . . B 1572 CYS HB3 . 34728 3 87 . 2 . 2 9 9 CYS CB C 13 32.566 0.400 . 1 . . . . B 1572 CYS CB . 34728 3 88 . 2 . 2 9 9 CYS N N 15 116.999 0.400 . 1 . . . . B 1572 CYS N . 34728 3 89 . 2 . 2 10 10 ASP H H 1 8.559 0.020 . 1 . . . . B 1573 ASP H . 34728 3 90 . 2 . 2 10 10 ASP N N 15 121.302 0.400 . 1 . . . . B 1573 ASP N . 34728 3 91 . 2 . 2 12 12 CYS H H 1 8.487 0.020 . 1 . . . . B 1575 CYS H . 34728 3 92 . 2 . 2 12 12 CYS HB2 H 1 2.569 0.020 . 2 . . . . B 1575 CYS HB2 . 34728 3 93 . 2 . 2 12 12 CYS HB3 H 1 2.569 0.020 . 2 . . . . B 1575 CYS HB3 . 34728 3 94 . 2 . 2 12 12 CYS CB C 13 28.161 0.400 . 1 . . . . B 1575 CYS CB . 34728 3 95 . 2 . 2 12 12 CYS N N 15 121.123 0.400 . 1 . . . . B 1575 CYS N . 34728 3 96 . 2 . 2 13 13 TYR H H 1 8.081 0.020 . 1 . . . . B 1576 TYR H . 34728 3 97 . 2 . 2 13 13 TYR HA H 1 4.428 0.020 . 1 . . . . B 1576 TYR HA . 34728 3 98 . 2 . 2 13 13 TYR HB2 H 1 2.750 0.020 . 2 . . . . B 1576 TYR HB2 . 34728 3 99 . 2 . 2 13 13 TYR HB3 H 1 2.534 0.020 . 2 . . . . B 1576 TYR HB3 . 34728 3 100 . 2 . 2 13 13 TYR HD1 H 1 6.750 0.020 . 1 . . . . B 1576 TYR HD1 . 34728 3 101 . 2 . 2 13 13 TYR HD2 H 1 6.750 0.020 . 1 . . . . B 1576 TYR HD2 . 34728 3 102 . 2 . 2 13 13 TYR HE1 H 1 6.406 0.020 . 1 . . . . B 1576 TYR HE1 . 34728 3 103 . 2 . 2 13 13 TYR HE2 H 1 6.406 0.020 . 1 . . . . B 1576 TYR HE2 . 34728 3 104 . 2 . 2 13 13 TYR CA C 13 58.060 0.400 . 1 . . . . B 1576 TYR CA . 34728 3 105 . 2 . 2 13 13 TYR CB C 13 38.959 0.400 . 1 . . . . B 1576 TYR CB . 34728 3 106 . 2 . 2 13 13 TYR CD1 C 13 132.844 0.400 . 1 . . . . B 1576 TYR CD1 . 34728 3 107 . 2 . 2 13 13 TYR CE1 C 13 117.722 0.400 . 1 . . . . B 1576 TYR CE1 . 34728 3 108 . 2 . 2 13 13 TYR N N 15 124.382 0.400 . 1 . . . . B 1576 TYR N . 34728 3 109 . 2 . 2 14 14 ASP H H 1 8.093 0.020 . 1 . . . . B 1577 ASP H . 34728 3 110 . 2 . 2 14 14 ASP N N 15 121.890 0.400 . 1 . . . . B 1577 ASP N . 34728 3 111 . 2 . 2 15 15 ASP H H 1 8.230 0.020 . 1 . . . . B 1578 ASP H . 34728 3 112 . 2 . 2 15 15 ASP N N 15 119.060 0.400 . 1 . . . . B 1578 ASP N . 34728 3 113 . 2 . 2 16 16 ASP H H 1 8.231 0.020 . 1 . . . . B 1579 ASP H . 34728 3 114 . 2 . 2 16 16 ASP HA H 1 4.509 0.020 . 1 . . . . B 1579 ASP HA . 34728 3 115 . 2 . 2 16 16 ASP HB2 H 1 2.626 0.020 . 2 . . . . B 1579 ASP HB2 . 34728 3 116 . 2 . 2 16 16 ASP HB3 H 1 2.597 0.020 . 2 . . . . B 1579 ASP HB3 . 34728 3 117 . 2 . 2 16 16 ASP CA C 13 54.689 0.400 . 1 . . . . B 1579 ASP CA . 34728 3 118 . 2 . 2 16 16 ASP CB C 13 41.096 0.400 . 1 . . . . B 1579 ASP CB . 34728 3 119 . 2 . 2 16 16 ASP N N 15 119.259 0.400 . 1 . . . . B 1579 ASP N . 34728 3 120 . 2 . 2 17 17 ASP H H 1 7.950 0.020 . 1 . . . . B 1580 ASP H . 34728 3 121 . 2 . 2 17 17 ASP HA H 1 4.551 0.020 . 1 . . . . B 1580 ASP HA . 34728 3 122 . 2 . 2 17 17 ASP HB2 H 1 2.634 0.020 . 2 . . . . B 1580 ASP HB2 . 34728 3 123 . 2 . 2 17 17 ASP HB3 H 1 2.634 0.020 . 2 . . . . B 1580 ASP HB3 . 34728 3 124 . 2 . 2 17 17 ASP CA C 13 54.293 0.400 . 1 . . . . B 1580 ASP CA . 34728 3 125 . 2 . 2 17 17 ASP CB C 13 41.071 0.400 . 1 . . . . B 1580 ASP CB . 34728 3 126 . 2 . 2 17 17 ASP N N 15 119.522 0.400 . 1 . . . . B 1580 ASP N . 34728 3 127 . 2 . 2 18 18 TYR H H 1 8.282 0.020 . 1 . . . . B 1581 TYR H . 34728 3 128 . 2 . 2 18 18 TYR HA H 1 4.327 0.020 . 1 . . . . B 1581 TYR HA . 34728 3 129 . 2 . 2 18 18 TYR HB2 H 1 2.571 0.020 . 2 . . . . B 1581 TYR HB2 . 34728 3 130 . 2 . 2 18 18 TYR HB3 H 1 2.571 0.020 . 2 . . . . B 1581 TYR HB3 . 34728 3 131 . 2 . 2 18 18 TYR N N 15 121.252 0.400 . 1 . . . . B 1581 TYR N . 34728 3 132 . 2 . 2 19 19 GLU HB2 H 1 2.046 0.020 . 2 . . . . B 1582 GLU HB2 . 34728 3 133 . 2 . 2 19 19 GLU HB3 H 1 1.964 0.020 . 2 . . . . B 1582 GLU HB3 . 34728 3 134 . 2 . 2 19 19 GLU HG2 H 1 2.417 0.020 . 2 . . . . B 1582 GLU HG2 . 34728 3 135 . 2 . 2 19 19 GLU HG3 H 1 2.417 0.020 . 2 . . . . B 1582 GLU HG3 . 34728 3 136 . 2 . 2 20 20 SER H H 1 7.781 0.020 . 1 . . . . B 1583 SER H . 34728 3 137 . 2 . 2 20 20 SER HA H 1 4.255 0.020 . 1 . . . . B 1583 SER HA . 34728 3 138 . 2 . 2 20 20 SER HB2 H 1 3.800 0.020 . 2 . . . . B 1583 SER HB2 . 34728 3 139 . 2 . 2 20 20 SER HB3 H 1 3.800 0.020 . 2 . . . . B 1583 SER HB3 . 34728 3 140 . 2 . 2 20 20 SER CA C 13 58.918 0.400 . 1 . . . . B 1583 SER CA . 34728 3 141 . 2 . 2 20 20 SER CB C 13 63.829 0.400 . 1 . . . . B 1583 SER CB . 34728 3 142 . 2 . 2 20 20 SER N N 15 115.468 0.400 . 1 . . . . B 1583 SER N . 34728 3 143 . 2 . 2 21 21 LYS H H 1 7.974 0.020 . 1 . . . . B 1584 LYS H . 34728 3 144 . 2 . 2 21 21 LYS N N 15 122.242 0.400 . 1 . . . . B 1584 LYS N . 34728 3 145 . 2 . 2 22 22 MET H H 1 8.477 0.020 . 1 . . . . B 1585 MET H . 34728 3 146 . 2 . 2 22 22 MET HG2 H 1 2.355 0.020 . 2 . . . . B 1585 MET HG2 . 34728 3 147 . 2 . 2 22 22 MET HG3 H 1 2.355 0.020 . 2 . . . . B 1585 MET HG3 . 34728 3 148 . 2 . 2 22 22 MET HE1 H 1 1.440 0.020 . 1 . . . . B 1585 MET HE1 . 34728 3 149 . 2 . 2 22 22 MET HE2 H 1 1.440 0.020 . 1 . . . . B 1585 MET HE2 . 34728 3 150 . 2 . 2 22 22 MET HE3 H 1 1.440 0.020 . 1 . . . . B 1585 MET HE3 . 34728 3 151 . 2 . 2 22 22 MET CG C 13 32.415 0.400 . 1 . . . . B 1585 MET CG . 34728 3 152 . 2 . 2 22 22 MET CE C 13 17.143 0.400 . 1 . . . . B 1585 MET CE . 34728 3 153 . 2 . 2 22 22 MET N N 15 120.361 0.400 . 1 . . . . B 1585 MET N . 34728 3 154 . 2 . 2 23 23 MET H H 1 9.461 0.020 . 1 . . . . B 1586 MET H . 34728 3 155 . 2 . 2 23 23 MET HB2 H 1 1.560 0.020 . 2 . . . . B 1586 MET HB2 . 34728 3 156 . 2 . 2 23 23 MET HB3 H 1 1.500 0.020 . 2 . . . . B 1586 MET HB3 . 34728 3 157 . 2 . 2 23 23 MET HG2 H 1 1.958 0.020 . 2 . . . . B 1586 MET HG2 . 34728 3 158 . 2 . 2 23 23 MET HG3 H 1 1.883 0.020 . 2 . . . . B 1586 MET HG3 . 34728 3 159 . 2 . 2 23 23 MET HE1 H 1 1.192 0.020 . 1 . . . . B 1586 MET HE1 . 34728 3 160 . 2 . 2 23 23 MET HE2 H 1 1.192 0.020 . 1 . . . . B 1586 MET HE2 . 34728 3 161 . 2 . 2 23 23 MET HE3 H 1 1.192 0.020 . 1 . . . . B 1586 MET HE3 . 34728 3 162 . 2 . 2 23 23 MET CB C 13 35.922 0.400 . 1 . . . . B 1586 MET CB . 34728 3 163 . 2 . 2 23 23 MET CG C 13 30.737 0.400 . 1 . . . . B 1586 MET CG . 34728 3 164 . 2 . 2 23 23 MET CE C 13 16.431 0.400 . 1 . . . . B 1586 MET CE . 34728 3 165 . 2 . 2 23 23 MET N N 15 117.799 0.400 . 1 . . . . B 1586 MET N . 34728 3 166 . 2 . 2 24 24 GLN H H 1 8.251 0.020 . 1 . . . . B 1587 GLN H . 34728 3 167 . 2 . 2 24 24 GLN HA H 1 4.893 0.020 . 1 . . . . B 1587 GLN HA . 34728 3 168 . 2 . 2 24 24 GLN HB2 H 1 1.196 0.020 . 2 . . . . B 1587 GLN HB2 . 34728 3 169 . 2 . 2 24 24 GLN HB3 H 1 1.196 0.020 . 2 . . . . B 1587 GLN HB3 . 34728 3 170 . 2 . 2 24 24 GLN HG2 H 1 1.383 0.020 . 2 . . . . B 1587 GLN HG2 . 34728 3 171 . 2 . 2 24 24 GLN HG3 H 1 0.653 0.020 . 2 . . . . B 1587 GLN HG3 . 34728 3 172 . 2 . 2 24 24 GLN HE21 H 1 6.841 0.020 . 1 . . . . B 1587 GLN HE21 . 34728 3 173 . 2 . 2 24 24 GLN HE22 H 1 6.420 0.020 . 1 . . . . B 1587 GLN HE22 . 34728 3 174 . 2 . 2 24 24 GLN CA C 13 53.549 0.400 . 1 . . . . B 1587 GLN CA . 34728 3 175 . 2 . 2 24 24 GLN CB C 13 29.119 0.400 . 1 . . . . B 1587 GLN CB . 34728 3 176 . 2 . 2 24 24 GLN CG C 13 32.996 0.400 . 1 . . . . B 1587 GLN CG . 34728 3 177 . 2 . 2 24 24 GLN N N 15 123.263 0.400 . 1 . . . . B 1587 GLN N . 34728 3 178 . 2 . 2 24 24 GLN NE2 N 15 109.733 0.400 . 1 . . . . B 1587 GLN NE2 . 34728 3 179 . 2 . 2 25 25 CYS H H 1 8.562 0.020 . 1 . . . . B 1588 CYS H . 34728 3 180 . 2 . 2 25 25 CYS HA H 1 4.428 0.020 . 1 . . . . B 1588 CYS HA . 34728 3 181 . 2 . 2 25 25 CYS HB2 H 1 3.419 0.020 . 1 . . . . B 1588 CYS HB2 . 34728 3 182 . 2 . 2 25 25 CYS HB3 H 1 2.513 0.020 . 1 . . . . B 1588 CYS HB3 . 34728 3 183 . 2 . 2 25 25 CYS CA C 13 58.702 0.400 . 1 . . . . B 1588 CYS CA . 34728 3 184 . 2 . 2 25 25 CYS CB C 13 31.927 0.400 . 1 . . . . B 1588 CYS CB . 34728 3 185 . 2 . 2 25 25 CYS N N 15 128.003 0.400 . 1 . . . . B 1588 CYS N . 34728 3 186 . 2 . 2 26 26 GLY H H 1 9.460 0.020 . 1 . . . . B 1589 GLY H . 34728 3 187 . 2 . 2 26 26 GLY HA2 H 1 4.063 0.020 . 2 . . . . B 1589 GLY HA2 . 34728 3 188 . 2 . 2 26 26 GLY HA3 H 1 3.558 0.020 . 2 . . . . B 1589 GLY HA3 . 34728 3 189 . 2 . 2 26 26 GLY CA C 13 46.643 0.400 . 1 . . . . B 1589 GLY CA . 34728 3 190 . 2 . 2 26 26 GLY N N 15 116.932 0.400 . 1 . . . . B 1589 GLY N . 34728 3 191 . 2 . 2 27 27 LYS H H 1 9.310 0.020 . 1 . . . . B 1590 LYS H . 34728 3 192 . 2 . 2 27 27 LYS HA H 1 4.268 0.020 . 1 . . . . B 1590 LYS HA . 34728 3 193 . 2 . 2 27 27 LYS HB2 H 1 1.832 0.020 . 1 . . . . B 1590 LYS HB2 . 34728 3 194 . 2 . 2 27 27 LYS HB3 H 1 2.144 0.020 . 1 . . . . B 1590 LYS HB3 . 34728 3 195 . 2 . 2 27 27 LYS HG2 H 1 1.328 0.020 . 2 . . . . B 1590 LYS HG2 . 34728 3 196 . 2 . 2 27 27 LYS HG3 H 1 1.328 0.020 . 2 . . . . B 1590 LYS HG3 . 34728 3 197 . 2 . 2 27 27 LYS HD2 H 1 1.592 0.020 . 2 . . . . B 1590 LYS HD2 . 34728 3 198 . 2 . 2 27 27 LYS HD3 H 1 1.592 0.020 . 2 . . . . B 1590 LYS HD3 . 34728 3 199 . 2 . 2 27 27 LYS HE2 H 1 2.835 0.020 . 2 . . . . B 1590 LYS HE2 . 34728 3 200 . 2 . 2 27 27 LYS HE3 H 1 2.835 0.020 . 2 . . . . B 1590 LYS HE3 . 34728 3 201 . 2 . 2 27 27 LYS CA C 13 58.149 0.400 . 1 . . . . B 1590 LYS CA . 34728 3 202 . 2 . 2 27 27 LYS CB C 13 33.623 0.400 . 1 . . . . B 1590 LYS CB . 34728 3 203 . 2 . 2 27 27 LYS CG C 13 25.700 0.400 . 1 . . . . B 1590 LYS CG . 34728 3 204 . 2 . 2 27 27 LYS CD C 13 29.194 0.400 . 1 . . . . B 1590 LYS CD . 34728 3 205 . 2 . 2 27 27 LYS CE C 13 42.077 0.400 . 1 . . . . B 1590 LYS CE . 34728 3 206 . 2 . 2 27 27 LYS N N 15 124.336 0.400 . 1 . . . . B 1590 LYS N . 34728 3 207 . 2 . 2 28 28 CYS H H 1 8.306 0.020 . 1 . . . . B 1591 CYS H . 34728 3 208 . 2 . 2 28 28 CYS HA H 1 4.762 0.020 . 1 . . . . B 1591 CYS HA . 34728 3 209 . 2 . 2 28 28 CYS HB2 H 1 2.564 0.020 . 1 . . . . B 1591 CYS HB2 . 34728 3 210 . 2 . 2 28 28 CYS HB3 H 1 3.141 0.020 . 1 . . . . B 1591 CYS HB3 . 34728 3 211 . 2 . 2 28 28 CYS CA C 13 58.794 0.400 . 1 . . . . B 1591 CYS CA . 34728 3 212 . 2 . 2 28 28 CYS CB C 13 31.962 0.400 . 1 . . . . B 1591 CYS CB . 34728 3 213 . 2 . 2 28 28 CYS N N 15 117.832 0.400 . 1 . . . . B 1591 CYS N . 34728 3 214 . 2 . 2 29 29 ASP H H 1 7.461 0.020 . 1 . . . . B 1592 ASP H . 34728 3 215 . 2 . 2 29 29 ASP HA H 1 4.473 0.020 . 1 . . . . B 1592 ASP HA . 34728 3 216 . 2 . 2 29 29 ASP HB2 H 1 2.832 0.020 . 2 . . . . B 1592 ASP HB2 . 34728 3 217 . 2 . 2 29 29 ASP HB3 H 1 2.832 0.020 . 2 . . . . B 1592 ASP HB3 . 34728 3 218 . 2 . 2 29 29 ASP CA C 13 56.483 0.400 . 1 . . . . B 1592 ASP CA . 34728 3 219 . 2 . 2 29 29 ASP CB C 13 40.315 0.400 . 1 . . . . B 1592 ASP CB . 34728 3 220 . 2 . 2 29 29 ASP N N 15 118.197 0.400 . 1 . . . . B 1592 ASP N . 34728 3 221 . 2 . 2 30 30 ARG H H 1 8.134 0.020 . 1 . . . . B 1593 ARG H . 34728 3 222 . 2 . 2 30 30 ARG HA H 1 4.380 0.020 . 1 . . . . B 1593 ARG HA . 34728 3 223 . 2 . 2 30 30 ARG HB2 H 1 1.692 0.020 . 2 . . . . B 1593 ARG HB2 . 34728 3 224 . 2 . 2 30 30 ARG HB3 H 1 1.692 0.020 . 2 . . . . B 1593 ARG HB3 . 34728 3 225 . 2 . 2 30 30 ARG HD2 H 1 3.161 0.020 . 2 . . . . B 1593 ARG HD2 . 34728 3 226 . 2 . 2 30 30 ARG HD3 H 1 3.161 0.020 . 2 . . . . B 1593 ARG HD3 . 34728 3 227 . 2 . 2 30 30 ARG HE H 1 7.233 0.020 . 1 . . . . B 1593 ARG HE . 34728 3 228 . 2 . 2 30 30 ARG CA C 13 56.408 0.400 . 1 . . . . B 1593 ARG CA . 34728 3 229 . 2 . 2 30 30 ARG CD C 13 43.065 0.400 . 1 . . . . B 1593 ARG CD . 34728 3 230 . 2 . 2 30 30 ARG N N 15 121.180 0.400 . 1 . . . . B 1593 ARG N . 34728 3 231 . 2 . 2 30 30 ARG NE N 15 85.148 0.400 . 1 . . . . B 1593 ARG NE . 34728 3 232 . 2 . 2 31 31 TRP H H 1 8.411 0.020 . 1 . . . . B 1594 TRP H . 34728 3 233 . 2 . 2 31 31 TRP HA H 1 4.357 0.020 . 1 . . . . B 1594 TRP HA . 34728 3 234 . 2 . 2 31 31 TRP HB2 H 1 2.871 0.020 . 2 . . . . B 1594 TRP HB2 . 34728 3 235 . 2 . 2 31 31 TRP HB3 H 1 2.768 0.020 . 2 . . . . B 1594 TRP HB3 . 34728 3 236 . 2 . 2 31 31 TRP HD1 H 1 7.247 0.020 . 1 . . . . B 1594 TRP HD1 . 34728 3 237 . 2 . 2 31 31 TRP HE1 H 1 10.020 0.020 . 1 . . . . B 1594 TRP HE1 . 34728 3 238 . 2 . 2 31 31 TRP HE3 H 1 7.023 0.020 . 1 . . . . B 1594 TRP HE3 . 34728 3 239 . 2 . 2 31 31 TRP HZ2 H 1 7.308 0.020 . 1 . . . . B 1594 TRP HZ2 . 34728 3 240 . 2 . 2 31 31 TRP HZ3 H 1 6.835 0.020 . 1 . . . . B 1594 TRP HZ3 . 34728 3 241 . 2 . 2 31 31 TRP HH2 H 1 7.156 0.020 . 1 . . . . B 1594 TRP HH2 . 34728 3 242 . 2 . 2 31 31 TRP CD1 C 13 127.243 0.400 . 1 . . . . B 1594 TRP CD1 . 34728 3 243 . 2 . 2 31 31 TRP CE3 C 13 124.333 0.400 . 1 . . . . B 1594 TRP CE3 . 34728 3 244 . 2 . 2 31 31 TRP CZ2 C 13 115.130 0.400 . 1 . . . . B 1594 TRP CZ2 . 34728 3 245 . 2 . 2 31 31 TRP CZ3 C 13 121.743 0.400 . 1 . . . . B 1594 TRP CZ3 . 34728 3 246 . 2 . 2 31 31 TRP CH2 C 13 119.931 0.400 . 1 . . . . B 1594 TRP CH2 . 34728 3 247 . 2 . 2 31 31 TRP N N 15 121.885 0.400 . 1 . . . . B 1594 TRP N . 34728 3 248 . 2 . 2 31 31 TRP NE1 N 15 129.706 0.400 . 1 . . . . B 1594 TRP NE1 . 34728 3 249 . 2 . 2 32 32 VAL H H 1 8.996 0.020 . 1 . . . . B 1595 VAL H . 34728 3 250 . 2 . 2 32 32 VAL HB H 1 2.152 0.020 . 1 . . . . B 1595 VAL HB . 34728 3 251 . 2 . 2 32 32 VAL HG11 H 1 0.932 0.020 . 2 . . . . B 1595 VAL HG11 . 34728 3 252 . 2 . 2 32 32 VAL HG12 H 1 0.932 0.020 . 2 . . . . B 1595 VAL HG12 . 34728 3 253 . 2 . 2 32 32 VAL HG13 H 1 0.932 0.020 . 2 . . . . B 1595 VAL HG13 . 34728 3 254 . 2 . 2 32 32 VAL HG21 H 1 0.880 0.020 . 2 . . . . B 1595 VAL HG21 . 34728 3 255 . 2 . 2 32 32 VAL HG22 H 1 0.880 0.020 . 2 . . . . B 1595 VAL HG22 . 34728 3 256 . 2 . 2 32 32 VAL HG23 H 1 0.880 0.020 . 2 . . . . B 1595 VAL HG23 . 34728 3 257 . 2 . 2 32 32 VAL CB C 13 35.032 0.400 . 1 . . . . B 1595 VAL CB . 34728 3 258 . 2 . 2 32 32 VAL CG1 C 13 22.074 0.400 . 1 . . . . B 1595 VAL CG1 . 34728 3 259 . 2 . 2 32 32 VAL CG2 C 13 19.412 0.400 . 1 . . . . B 1595 VAL CG2 . 34728 3 260 . 2 . 2 32 32 VAL N N 15 115.655 0.400 . 1 . . . . B 1595 VAL N . 34728 3 261 . 2 . 2 33 33 HIS HA H 1 4.908 0.020 . 1 . . . . B 1596 HIS HA . 34728 3 262 . 2 . 2 33 33 HIS HD2 H 1 7.140 0.020 . 1 . . . . B 1596 HIS HD2 . 34728 3 263 . 2 . 2 33 33 HIS HE1 H 1 7.579 0.020 . 1 . . . . B 1596 HIS HE1 . 34728 3 264 . 2 . 2 33 33 HIS CA C 13 56.698 0.400 . 1 . . . . B 1596 HIS CA . 34728 3 265 . 2 . 2 33 33 HIS CD2 C 13 118.535 0.400 . 1 . . . . B 1596 HIS CD2 . 34728 3 266 . 2 . 2 33 33 HIS CE1 C 13 138.634 0.400 . 1 . . . . B 1596 HIS CE1 . 34728 3 267 . 2 . 2 34 34 SER H H 1 8.885 0.020 . 1 . . . . B 1597 SER H . 34728 3 268 . 2 . 2 34 34 SER HA H 1 3.514 0.020 . 1 . . . . B 1597 SER HA . 34728 3 269 . 2 . 2 34 34 SER HB2 H 1 3.645 0.020 . 2 . . . . B 1597 SER HB2 . 34728 3 270 . 2 . 2 34 34 SER HB3 H 1 3.419 0.020 . 2 . . . . B 1597 SER HB3 . 34728 3 271 . 2 . 2 34 34 SER CA C 13 61.609 0.400 . 1 . . . . B 1597 SER CA . 34728 3 272 . 2 . 2 34 34 SER CB C 13 61.716 0.400 . 1 . . . . B 1597 SER CB . 34728 3 273 . 2 . 2 34 34 SER N N 15 121.769 0.400 . 1 . . . . B 1597 SER N . 34728 3 274 . 2 . 2 35 35 LYS HB2 H 1 1.456 0.020 . 2 . . . . B 1598 LYS HB2 . 34728 3 275 . 2 . 2 35 35 LYS HB3 H 1 0.938 0.020 . 2 . . . . B 1598 LYS HB3 . 34728 3 276 . 2 . 2 35 35 LYS HD2 H 1 1.261 0.020 . 2 . . . . B 1598 LYS HD2 . 34728 3 277 . 2 . 2 35 35 LYS HD3 H 1 1.261 0.020 . 2 . . . . B 1598 LYS HD3 . 34728 3 278 . 2 . 2 35 35 LYS HE2 H 1 2.734 0.020 . 2 . . . . B 1598 LYS HE2 . 34728 3 279 . 2 . 2 35 35 LYS HE3 H 1 2.734 0.020 . 2 . . . . B 1598 LYS HE3 . 34728 3 280 . 2 . 2 35 35 LYS CB C 13 31.889 0.400 . 1 . . . . B 1598 LYS CB . 34728 3 281 . 2 . 2 35 35 LYS CD C 13 29.108 0.400 . 1 . . . . B 1598 LYS CD . 34728 3 282 . 2 . 2 35 35 LYS CE C 13 42.235 0.400 . 1 . . . . B 1598 LYS CE . 34728 3 283 . 2 . 2 36 36 CYS H H 1 6.760 0.020 . 1 . . . . B 1599 CYS H . 34728 3 284 . 2 . 2 36 36 CYS HA H 1 4.126 0.020 . 1 . . . . B 1599 CYS HA . 34728 3 285 . 2 . 2 36 36 CYS HB2 H 1 3.168 0.020 . 2 . . . . B 1599 CYS HB2 . 34728 3 286 . 2 . 2 36 36 CYS HB3 H 1 3.168 0.020 . 2 . . . . B 1599 CYS HB3 . 34728 3 287 . 2 . 2 36 36 CYS CA C 13 62.544 0.400 . 1 . . . . B 1599 CYS CA . 34728 3 288 . 2 . 2 36 36 CYS CB C 13 29.706 0.400 . 1 . . . . B 1599 CYS CB . 34728 3 289 . 2 . 2 36 36 CYS N N 15 119.391 0.400 . 1 . . . . B 1599 CYS N . 34728 3 290 . 2 . 2 37 37 GLU HA H 1 4.159 0.020 . 1 . . . . B 1600 GLU HA . 34728 3 291 . 2 . 2 37 37 GLU HB2 H 1 1.739 0.020 . 2 . . . . B 1600 GLU HB2 . 34728 3 292 . 2 . 2 37 37 GLU HB3 H 1 1.719 0.020 . 2 . . . . B 1600 GLU HB3 . 34728 3 293 . 2 . 2 37 37 GLU CA C 13 58.747 0.400 . 1 . . . . B 1600 GLU CA . 34728 3 294 . 2 . 2 37 37 GLU CB C 13 32.081 0.400 . 1 . . . . B 1600 GLU CB . 34728 3 295 . 2 . 2 38 38 ASN H H 1 7.739 0.020 . 1 . . . . B 1601 ASN H . 34728 3 296 . 2 . 2 38 38 ASN HA H 1 4.240 0.020 . 1 . . . . B 1601 ASN HA . 34728 3 297 . 2 . 2 38 38 ASN HB2 H 1 3.111 0.020 . 2 . . . . B 1601 ASN HB2 . 34728 3 298 . 2 . 2 38 38 ASN HB3 H 1 2.748 0.020 . 2 . . . . B 1601 ASN HB3 . 34728 3 299 . 2 . 2 38 38 ASN HD21 H 1 7.527 0.020 . 1 . . . . B 1601 ASN HD21 . 34728 3 300 . 2 . 2 38 38 ASN HD22 H 1 6.764 0.020 . 1 . . . . B 1601 ASN HD22 . 34728 3 301 . 2 . 2 38 38 ASN CA C 13 54.387 0.400 . 1 . . . . B 1601 ASN CA . 34728 3 302 . 2 . 2 38 38 ASN CB C 13 37.368 0.400 . 1 . . . . B 1601 ASN CB . 34728 3 303 . 2 . 2 38 38 ASN N N 15 113.416 0.400 . 1 . . . . B 1601 ASN N . 34728 3 304 . 2 . 2 38 38 ASN ND2 N 15 112.950 0.400 . 1 . . . . B 1601 ASN ND2 . 34728 3 305 . 2 . 2 39 39 LEU H H 1 7.656 0.020 . 1 . . . . B 1602 LEU H . 34728 3 306 . 2 . 2 39 39 LEU HA H 1 4.480 0.020 . 1 . . . . B 1602 LEU HA . 34728 3 307 . 2 . 2 39 39 LEU HB2 H 1 1.592 0.020 . 2 . . . . B 1602 LEU HB2 . 34728 3 308 . 2 . 2 39 39 LEU HB3 H 1 1.204 0.020 . 2 . . . . B 1602 LEU HB3 . 34728 3 309 . 2 . 2 39 39 LEU HD11 H 1 0.637 0.020 . 2 . . . . B 1602 LEU HD11 . 34728 3 310 . 2 . 2 39 39 LEU HD12 H 1 0.637 0.020 . 2 . . . . B 1602 LEU HD12 . 34728 3 311 . 2 . 2 39 39 LEU HD13 H 1 0.637 0.020 . 2 . . . . B 1602 LEU HD13 . 34728 3 312 . 2 . 2 39 39 LEU HD21 H 1 0.818 0.020 . 2 . . . . B 1602 LEU HD21 . 34728 3 313 . 2 . 2 39 39 LEU HD22 H 1 0.818 0.020 . 2 . . . . B 1602 LEU HD22 . 34728 3 314 . 2 . 2 39 39 LEU HD23 H 1 0.818 0.020 . 2 . . . . B 1602 LEU HD23 . 34728 3 315 . 2 . 2 39 39 LEU CA C 13 53.900 0.400 . 1 . . . . B 1602 LEU CA . 34728 3 316 . 2 . 2 39 39 LEU CB C 13 44.062 0.400 . 1 . . . . B 1602 LEU CB . 34728 3 317 . 2 . 2 39 39 LEU CD1 C 13 26.268 0.400 . 1 . . . . B 1602 LEU CD1 . 34728 3 318 . 2 . 2 39 39 LEU CD2 C 13 24.352 0.400 . 1 . . . . B 1602 LEU CD2 . 34728 3 319 . 2 . 2 39 39 LEU N N 15 117.666 0.400 . 1 . . . . B 1602 LEU N . 34728 3 320 . 2 . 2 40 40 SER H H 1 9.203 0.020 . 1 . . . . B 1603 SER H . 34728 3 321 . 2 . 2 40 40 SER HB2 H 1 4.244 0.020 . 2 . . . . B 1603 SER HB2 . 34728 3 322 . 2 . 2 40 40 SER HB3 H 1 4.133 0.020 . 2 . . . . B 1603 SER HB3 . 34728 3 323 . 2 . 2 40 40 SER CB C 13 63.882 0.400 . 1 . . . . B 1603 SER CB . 34728 3 324 . 2 . 2 40 40 SER N N 15 122.245 0.400 . 1 . . . . B 1603 SER N . 34728 3 325 . 2 . 2 41 41 ASP H H 1 8.766 0.020 . 1 . . . . B 1604 ASP H . 34728 3 326 . 2 . 2 41 41 ASP HA H 1 4.334 0.020 . 1 . . . . B 1604 ASP HA . 34728 3 327 . 2 . 2 41 41 ASP HB2 H 1 2.596 0.020 . 2 . . . . B 1604 ASP HB2 . 34728 3 328 . 2 . 2 41 41 ASP HB3 H 1 2.561 0.020 . 2 . . . . B 1604 ASP HB3 . 34728 3 329 . 2 . 2 41 41 ASP CA C 13 57.804 0.400 . 1 . . . . B 1604 ASP CA . 34728 3 330 . 2 . 2 41 41 ASP CB C 13 39.755 0.400 . 1 . . . . B 1604 ASP CB . 34728 3 331 . 2 . 2 41 41 ASP N N 15 121.516 0.400 . 1 . . . . B 1604 ASP N . 34728 3 332 . 2 . 2 42 42 GLU H H 1 8.418 0.020 . 1 . . . . B 1605 GLU H . 34728 3 333 . 2 . 2 42 42 GLU HA H 1 3.943 0.020 . 1 . . . . B 1605 GLU HA . 34728 3 334 . 2 . 2 42 42 GLU HB2 H 1 2.026 0.020 . 2 . . . . B 1605 GLU HB2 . 34728 3 335 . 2 . 2 42 42 GLU HB3 H 1 1.867 0.020 . 2 . . . . B 1605 GLU HB3 . 34728 3 336 . 2 . 2 42 42 GLU HG2 H 1 1.963 0.020 . 2 . . . . B 1605 GLU HG2 . 34728 3 337 . 2 . 2 42 42 GLU HG3 H 1 1.963 0.020 . 2 . . . . B 1605 GLU HG3 . 34728 3 338 . 2 . 2 42 42 GLU CA C 13 59.850 0.400 . 1 . . . . B 1605 GLU CA . 34728 3 339 . 2 . 2 42 42 GLU CB C 13 30.225 0.400 . 1 . . . . B 1605 GLU CB . 34728 3 340 . 2 . 2 42 42 GLU CG C 13 33.512 0.400 . 1 . . . . B 1605 GLU CG . 34728 3 341 . 2 . 2 42 42 GLU N N 15 120.347 0.400 . 1 . . . . B 1605 GLU N . 34728 3 342 . 2 . 2 43 43 MET H H 1 8.302 0.020 . 1 . . . . B 1606 MET H . 34728 3 343 . 2 . 2 43 43 MET HA H 1 4.140 0.020 . 1 . . . . B 1606 MET HA . 34728 3 344 . 2 . 2 43 43 MET HG2 H 1 2.687 0.020 . 2 . . . . B 1606 MET HG2 . 34728 3 345 . 2 . 2 43 43 MET HG3 H 1 2.199 0.020 . 2 . . . . B 1606 MET HG3 . 34728 3 346 . 2 . 2 43 43 MET HE1 H 1 1.882 0.020 . 1 . . . . B 1606 MET HE1 . 34728 3 347 . 2 . 2 43 43 MET HE2 H 1 1.882 0.020 . 1 . . . . B 1606 MET HE2 . 34728 3 348 . 2 . 2 43 43 MET HE3 H 1 1.882 0.020 . 1 . . . . B 1606 MET HE3 . 34728 3 349 . 2 . 2 43 43 MET CA C 13 57.202 0.400 . 1 . . . . B 1606 MET CA . 34728 3 350 . 2 . 2 43 43 MET CG C 13 32.752 0.400 . 1 . . . . B 1606 MET CG . 34728 3 351 . 2 . 2 43 43 MET CE C 13 18.079 0.400 . 1 . . . . B 1606 MET CE . 34728 3 352 . 2 . 2 43 43 MET N N 15 119.705 0.400 . 1 . . . . B 1606 MET N . 34728 3 353 . 2 . 2 44 44 TYR H H 1 8.935 0.020 . 1 . . . . B 1607 TYR H . 34728 3 354 . 2 . 2 44 44 TYR HA H 1 3.626 0.020 . 1 . . . . B 1607 TYR HA . 34728 3 355 . 2 . 2 44 44 TYR HB2 H 1 2.888 0.020 . 1 . . . . B 1607 TYR HB2 . 34728 3 356 . 2 . 2 44 44 TYR HB3 H 1 3.086 0.020 . 1 . . . . B 1607 TYR HB3 . 34728 3 357 . 2 . 2 44 44 TYR HD1 H 1 6.843 0.020 . 1 . . . . B 1607 TYR HD1 . 34728 3 358 . 2 . 2 44 44 TYR HD2 H 1 6.843 0.020 . 1 . . . . B 1607 TYR HD2 . 34728 3 359 . 2 . 2 44 44 TYR HE1 H 1 6.595 0.020 . 1 . . . . B 1607 TYR HE1 . 34728 3 360 . 2 . 2 44 44 TYR HE2 H 1 6.595 0.020 . 1 . . . . B 1607 TYR HE2 . 34728 3 361 . 2 . 2 44 44 TYR CA C 13 62.444 0.400 . 1 . . . . B 1607 TYR CA . 34728 3 362 . 2 . 2 44 44 TYR CB C 13 38.044 0.400 . 1 . . . . B 1607 TYR CB . 34728 3 363 . 2 . 2 44 44 TYR CD1 C 13 132.974 0.400 . 1 . . . . B 1607 TYR CD1 . 34728 3 364 . 2 . 2 44 44 TYR CE1 C 13 117.987 0.400 . 1 . . . . B 1607 TYR CE1 . 34728 3 365 . 2 . 2 44 44 TYR N N 15 119.797 0.400 . 1 . . . . B 1607 TYR N . 34728 3 366 . 2 . 2 45 45 GLU H H 1 7.964 0.020 . 1 . . . . B 1608 GLU H . 34728 3 367 . 2 . 2 45 45 GLU HA H 1 3.558 0.020 . 1 . . . . B 1608 GLU HA . 34728 3 368 . 2 . 2 45 45 GLU HB2 H 1 2.106 0.020 . 1 . . . . B 1608 GLU HB2 . 34728 3 369 . 2 . 2 45 45 GLU HB3 H 1 2.037 0.020 . 1 . . . . B 1608 GLU HB3 . 34728 3 370 . 2 . 2 45 45 GLU HG2 H 1 2.276 0.020 . 2 . . . . B 1608 GLU HG2 . 34728 3 371 . 2 . 2 45 45 GLU HG3 H 1 2.262 0.020 . 2 . . . . B 1608 GLU HG3 . 34728 3 372 . 2 . 2 45 45 GLU CA C 13 59.479 0.400 . 1 . . . . B 1608 GLU CA . 34728 3 373 . 2 . 2 45 45 GLU CB C 13 29.259 0.400 . 1 . . . . B 1608 GLU CB . 34728 3 374 . 2 . 2 45 45 GLU CG C 13 36.132 0.400 . 1 . . . . B 1608 GLU CG . 34728 3 375 . 2 . 2 45 45 GLU N N 15 120.911 0.400 . 1 . . . . B 1608 GLU N . 34728 3 376 . 2 . 2 46 46 ILE H H 1 7.337 0.020 . 1 . . . . B 1609 ILE H . 34728 3 377 . 2 . 2 46 46 ILE HA H 1 3.402 0.020 . 1 . . . . B 1609 ILE HA . 34728 3 378 . 2 . 2 46 46 ILE HB H 1 1.614 0.020 . 1 . . . . B 1609 ILE HB . 34728 3 379 . 2 . 2 46 46 ILE HG12 H 1 1.203 0.020 . 2 . . . . B 1609 ILE HG12 . 34728 3 380 . 2 . 2 46 46 ILE HG13 H 1 1.009 0.020 . 2 . . . . B 1609 ILE HG13 . 34728 3 381 . 2 . 2 46 46 ILE HG21 H 1 -0.241 0.020 . 1 . . . . B 1609 ILE HG21 . 34728 3 382 . 2 . 2 46 46 ILE HG22 H 1 -0.241 0.020 . 1 . . . . B 1609 ILE HG22 . 34728 3 383 . 2 . 2 46 46 ILE HG23 H 1 -0.241 0.020 . 1 . . . . B 1609 ILE HG23 . 34728 3 384 . 2 . 2 46 46 ILE HD11 H 1 0.432 0.020 . 1 . . . . B 1609 ILE HD11 . 34728 3 385 . 2 . 2 46 46 ILE HD12 H 1 0.432 0.020 . 1 . . . . B 1609 ILE HD12 . 34728 3 386 . 2 . 2 46 46 ILE HD13 H 1 0.432 0.020 . 1 . . . . B 1609 ILE HD13 . 34728 3 387 . 2 . 2 46 46 ILE CA C 13 63.364 0.400 . 1 . . . . B 1609 ILE CA . 34728 3 388 . 2 . 2 46 46 ILE CB C 13 37.020 0.400 . 1 . . . . B 1609 ILE CB . 34728 3 389 . 2 . 2 46 46 ILE CG1 C 13 28.077 0.400 . 1 . . . . B 1609 ILE CG1 . 34728 3 390 . 2 . 2 46 46 ILE CG2 C 13 16.428 0.400 . 1 . . . . B 1609 ILE CG2 . 34728 3 391 . 2 . 2 46 46 ILE CD1 C 13 12.590 0.400 . 1 . . . . B 1609 ILE CD1 . 34728 3 392 . 2 . 2 46 46 ILE N N 15 118.193 0.400 . 1 . . . . B 1609 ILE N . 34728 3 393 . 2 . 2 47 47 LEU H H 1 8.496 0.020 . 1 . . . . B 1610 LEU H . 34728 3 394 . 2 . 2 47 47 LEU HA H 1 3.779 0.020 . 1 . . . . B 1610 LEU HA . 34728 3 395 . 2 . 2 47 47 LEU HB2 H 1 1.169 0.020 . 1 . . . . B 1610 LEU HB2 . 34728 3 396 . 2 . 2 47 47 LEU HB3 H 1 1.434 0.020 . 1 . . . . B 1610 LEU HB3 . 34728 3 397 . 2 . 2 47 47 LEU HG H 1 1.602 0.020 . 1 . . . . B 1610 LEU HG . 34728 3 398 . 2 . 2 47 47 LEU HD11 H 1 0.729 0.020 . 2 . . . . B 1610 LEU HD11 . 34728 3 399 . 2 . 2 47 47 LEU HD12 H 1 0.729 0.020 . 2 . . . . B 1610 LEU HD12 . 34728 3 400 . 2 . 2 47 47 LEU HD13 H 1 0.729 0.020 . 2 . . . . B 1610 LEU HD13 . 34728 3 401 . 2 . 2 47 47 LEU HD21 H 1 0.760 0.020 . 2 . . . . B 1610 LEU HD21 . 34728 3 402 . 2 . 2 47 47 LEU HD22 H 1 0.760 0.020 . 2 . . . . B 1610 LEU HD22 . 34728 3 403 . 2 . 2 47 47 LEU HD23 H 1 0.760 0.020 . 2 . . . . B 1610 LEU HD23 . 34728 3 404 . 2 . 2 47 47 LEU CA C 13 57.090 0.400 . 1 . . . . B 1610 LEU CA . 34728 3 405 . 2 . 2 47 47 LEU CB C 13 41.712 0.400 . 1 . . . . B 1610 LEU CB . 34728 3 406 . 2 . 2 47 47 LEU CG C 13 26.266 0.400 . 1 . . . . B 1610 LEU CG . 34728 3 407 . 2 . 2 47 47 LEU CD1 C 13 27.261 0.400 . 1 . . . . B 1610 LEU CD1 . 34728 3 408 . 2 . 2 47 47 LEU CD2 C 13 22.152 0.400 . 1 . . . . B 1610 LEU CD2 . 34728 3 409 . 2 . 2 47 47 LEU N N 15 118.045 0.400 . 1 . . . . B 1610 LEU N . 34728 3 410 . 2 . 2 48 48 SER H H 1 8.030 0.020 . 1 . . . . B 1611 SER H . 34728 3 411 . 2 . 2 48 48 SER HA H 1 3.993 0.020 . 1 . . . . B 1611 SER HA . 34728 3 412 . 2 . 2 48 48 SER HB2 H 1 3.718 0.020 . 2 . . . . B 1611 SER HB2 . 34728 3 413 . 2 . 2 48 48 SER HB3 H 1 3.249 0.020 . 2 . . . . B 1611 SER HB3 . 34728 3 414 . 2 . 2 48 48 SER CA C 13 60.118 0.400 . 1 . . . . B 1611 SER CA . 34728 3 415 . 2 . 2 48 48 SER CB C 13 62.882 0.400 . 1 . . . . B 1611 SER CB . 34728 3 416 . 2 . 2 48 48 SER N N 15 112.520 0.400 . 1 . . . . B 1611 SER N . 34728 3 417 . 2 . 2 49 49 ASN H H 1 7.091 0.020 . 1 . . . . B 1612 ASN H . 34728 3 418 . 2 . 2 49 49 ASN HA H 1 4.888 0.020 . 1 . . . . B 1612 ASN HA . 34728 3 419 . 2 . 2 49 49 ASN HB2 H 1 2.931 0.020 . 2 . . . . B 1612 ASN HB2 . 34728 3 420 . 2 . 2 49 49 ASN HB3 H 1 2.463 0.020 . 2 . . . . B 1612 ASN HB3 . 34728 3 421 . 2 . 2 49 49 ASN HD21 H 1 8.269 0.020 . 2 . . . . B 1612 ASN HD21 . 34728 3 422 . 2 . 2 49 49 ASN HD22 H 1 6.845 0.020 . 2 . . . . B 1612 ASN HD22 . 34728 3 423 . 2 . 2 49 49 ASN CA C 13 53.592 0.400 . 1 . . . . B 1612 ASN CA . 34728 3 424 . 2 . 2 49 49 ASN CB C 13 40.963 0.400 . 1 . . . . B 1612 ASN CB . 34728 3 425 . 2 . 2 49 49 ASN N N 15 119.611 0.400 . 1 . . . . B 1612 ASN N . 34728 3 426 . 2 . 2 49 49 ASN ND2 N 15 116.294 0.400 . 1 . . . . B 1612 ASN ND2 . 34728 3 427 . 2 . 2 50 50 LEU H H 1 7.227 0.020 . 1 . . . . B 1613 LEU H . 34728 3 428 . 2 . 2 50 50 LEU HA H 1 4.558 0.020 . 1 . . . . B 1613 LEU HA . 34728 3 429 . 2 . 2 50 50 LEU HB2 H 1 1.857 0.020 . 2 . . . . B 1613 LEU HB2 . 34728 3 430 . 2 . 2 50 50 LEU HB3 H 1 1.553 0.020 . 2 . . . . B 1613 LEU HB3 . 34728 3 431 . 2 . 2 50 50 LEU HG H 1 2.243 0.020 . 1 . . . . B 1613 LEU HG . 34728 3 432 . 2 . 2 50 50 LEU HD11 H 1 1.112 0.020 . 2 . . . . B 1613 LEU HD11 . 34728 3 433 . 2 . 2 50 50 LEU HD12 H 1 1.112 0.020 . 2 . . . . B 1613 LEU HD12 . 34728 3 434 . 2 . 2 50 50 LEU HD13 H 1 1.112 0.020 . 2 . . . . B 1613 LEU HD13 . 34728 3 435 . 2 . 2 50 50 LEU HD21 H 1 1.169 0.020 . 2 . . . . B 1613 LEU HD21 . 34728 3 436 . 2 . 2 50 50 LEU HD22 H 1 1.169 0.020 . 2 . . . . B 1613 LEU HD22 . 34728 3 437 . 2 . 2 50 50 LEU HD23 H 1 1.169 0.020 . 2 . . . . B 1613 LEU HD23 . 34728 3 438 . 2 . 2 50 50 LEU CA C 13 53.942 0.400 . 1 . . . . B 1613 LEU CA . 34728 3 439 . 2 . 2 50 50 LEU CB C 13 41.077 0.400 . 1 . . . . B 1613 LEU CB . 34728 3 440 . 2 . 2 50 50 LEU CG C 13 26.540 0.400 . 1 . . . . B 1613 LEU CG . 34728 3 441 . 2 . 2 50 50 LEU CD1 C 13 26.649 0.400 . 1 . . . . B 1613 LEU CD1 . 34728 3 442 . 2 . 2 50 50 LEU CD2 C 13 23.420 0.400 . 1 . . . . B 1613 LEU CD2 . 34728 3 443 . 2 . 2 50 50 LEU N N 15 120.172 0.400 . 1 . . . . B 1613 LEU N . 34728 3 444 . 2 . 2 51 51 PRO HA H 1 4.524 0.020 . 1 . . . . B 1614 PRO HA . 34728 3 445 . 2 . 2 51 51 PRO HB2 H 1 2.486 0.020 . 1 . . . . B 1614 PRO HB2 . 34728 3 446 . 2 . 2 51 51 PRO HB3 H 1 2.032 0.020 . 1 . . . . B 1614 PRO HB3 . 34728 3 447 . 2 . 2 51 51 PRO HG2 H 1 2.068 0.020 . 1 . . . . B 1614 PRO HG2 . 34728 3 448 . 2 . 2 51 51 PRO HG3 H 1 2.079 0.020 . 1 . . . . B 1614 PRO HG3 . 34728 3 449 . 2 . 2 51 51 PRO HD2 H 1 3.504 0.020 . 1 . . . . B 1614 PRO HD2 . 34728 3 450 . 2 . 2 51 51 PRO HD3 H 1 3.919 0.020 . 1 . . . . B 1614 PRO HD3 . 34728 3 451 . 2 . 2 51 51 PRO CA C 13 63.002 0.400 . 1 . . . . B 1614 PRO CA . 34728 3 452 . 2 . 2 51 51 PRO CB C 13 32.528 0.400 . 1 . . . . B 1614 PRO CB . 34728 3 453 . 2 . 2 51 51 PRO CG C 13 27.800 0.400 . 1 . . . . B 1614 PRO CG . 34728 3 454 . 2 . 2 51 51 PRO CD C 13 50.493 0.400 . 1 . . . . B 1614 PRO CD . 34728 3 455 . 2 . 2 52 52 GLU H H 1 8.768 0.020 . 1 . . . . B 1615 GLU H . 34728 3 456 . 2 . 2 52 52 GLU HA H 1 4.134 0.020 . 1 . . . . B 1615 GLU HA . 34728 3 457 . 2 . 2 52 52 GLU HB2 H 1 2.069 0.020 . 1 . . . . B 1615 GLU HB2 . 34728 3 458 . 2 . 2 52 52 GLU HB3 H 1 2.108 0.020 . 1 . . . . B 1615 GLU HB3 . 34728 3 459 . 2 . 2 52 52 GLU HG2 H 1 2.373 0.020 . 2 . . . . B 1615 GLU HG2 . 34728 3 460 . 2 . 2 52 52 GLU HG3 H 1 2.373 0.020 . 2 . . . . B 1615 GLU HG3 . 34728 3 461 . 2 . 2 52 52 GLU CA C 13 58.527 0.400 . 1 . . . . B 1615 GLU CA . 34728 3 462 . 2 . 2 52 52 GLU CB C 13 29.567 0.400 . 1 . . . . B 1615 GLU CB . 34728 3 463 . 2 . 2 52 52 GLU CG C 13 36.399 0.400 . 1 . . . . B 1615 GLU CG . 34728 3 464 . 2 . 2 52 52 GLU N N 15 119.057 0.400 . 1 . . . . B 1615 GLU N . 34728 3 465 . 2 . 2 53 53 SER H H 1 7.720 0.020 . 1 . . . . B 1616 SER H . 34728 3 466 . 2 . 2 53 53 SER HA H 1 4.250 0.020 . 1 . . . . B 1616 SER HA . 34728 3 467 . 2 . 2 53 53 SER HB2 H 1 4.082 0.020 . 2 . . . . B 1616 SER HB2 . 34728 3 468 . 2 . 2 53 53 SER HB3 H 1 3.960 0.020 . 2 . . . . B 1616 SER HB3 . 34728 3 469 . 2 . 2 53 53 SER CA C 13 58.810 0.400 . 1 . . . . B 1616 SER CA . 34728 3 470 . 2 . 2 53 53 SER CB C 13 63.216 0.400 . 1 . . . . B 1616 SER CB . 34728 3 471 . 2 . 2 53 53 SER N N 15 111.052 0.400 . 1 . . . . B 1616 SER N . 34728 3 472 . 2 . 2 54 54 VAL H H 1 7.696 0.020 . 1 . . . . B 1617 VAL H . 34728 3 473 . 2 . 2 54 54 VAL HA H 1 4.772 0.020 . 1 . . . . B 1617 VAL HA . 34728 3 474 . 2 . 2 54 54 VAL HB H 1 1.961 0.020 . 1 . . . . B 1617 VAL HB . 34728 3 475 . 2 . 2 54 54 VAL HG11 H 1 0.984 0.020 . 2 . . . . B 1617 VAL HG11 . 34728 3 476 . 2 . 2 54 54 VAL HG12 H 1 0.984 0.020 . 2 . . . . B 1617 VAL HG12 . 34728 3 477 . 2 . 2 54 54 VAL HG13 H 1 0.984 0.020 . 2 . . . . B 1617 VAL HG13 . 34728 3 478 . 2 . 2 54 54 VAL HG21 H 1 0.870 0.020 . 2 . . . . B 1617 VAL HG21 . 34728 3 479 . 2 . 2 54 54 VAL HG22 H 1 0.870 0.020 . 2 . . . . B 1617 VAL HG22 . 34728 3 480 . 2 . 2 54 54 VAL HG23 H 1 0.870 0.020 . 2 . . . . B 1617 VAL HG23 . 34728 3 481 . 2 . 2 54 54 VAL CA C 13 60.091 0.400 . 1 . . . . B 1617 VAL CA . 34728 3 482 . 2 . 2 54 54 VAL CB C 13 33.966 0.400 . 1 . . . . B 1617 VAL CB . 34728 3 483 . 2 . 2 54 54 VAL CG1 C 13 20.736 0.400 . 1 . . . . B 1617 VAL CG1 . 34728 3 484 . 2 . 2 54 54 VAL CG2 C 13 22.494 0.400 . 1 . . . . B 1617 VAL CG2 . 34728 3 485 . 2 . 2 54 54 VAL N N 15 116.053 0.400 . 1 . . . . B 1617 VAL N . 34728 3 486 . 2 . 2 55 55 ALA H H 1 8.520 0.020 . 1 . . . . B 1618 ALA H . 34728 3 487 . 2 . 2 55 55 ALA HA H 1 4.731 0.020 . 1 . . . . B 1618 ALA HA . 34728 3 488 . 2 . 2 55 55 ALA HB1 H 1 1.319 0.020 . 1 . . . . B 1618 ALA HB1 . 34728 3 489 . 2 . 2 55 55 ALA HB2 H 1 1.319 0.020 . 1 . . . . B 1618 ALA HB2 . 34728 3 490 . 2 . 2 55 55 ALA HB3 H 1 1.319 0.020 . 1 . . . . B 1618 ALA HB3 . 34728 3 491 . 2 . 2 55 55 ALA CA C 13 51.280 0.400 . 1 . . . . B 1618 ALA CA . 34728 3 492 . 2 . 2 55 55 ALA CB C 13 24.205 0.400 . 1 . . . . B 1618 ALA CB . 34728 3 493 . 2 . 2 55 55 ALA N N 15 123.184 0.400 . 1 . . . . B 1618 ALA N . 34728 3 494 . 2 . 2 56 56 TYR H H 1 8.738 0.020 . 1 . . . . B 1619 TYR H . 34728 3 495 . 2 . 2 56 56 TYR HA H 1 4.579 0.020 . 1 . . . . B 1619 TYR HA . 34728 3 496 . 2 . 2 56 56 TYR HB2 H 1 2.958 0.020 . 2 . . . . B 1619 TYR HB2 . 34728 3 497 . 2 . 2 56 56 TYR HB3 H 1 2.773 0.020 . 2 . . . . B 1619 TYR HB3 . 34728 3 498 . 2 . 2 56 56 TYR HD1 H 1 7.003 0.020 . 1 . . . . B 1619 TYR HD1 . 34728 3 499 . 2 . 2 56 56 TYR HD2 H 1 7.003 0.020 . 1 . . . . B 1619 TYR HD2 . 34728 3 500 . 2 . 2 56 56 TYR HE1 H 1 6.710 0.020 . 1 . . . . B 1619 TYR HE1 . 34728 3 501 . 2 . 2 56 56 TYR HE2 H 1 6.710 0.020 . 1 . . . . B 1619 TYR HE2 . 34728 3 502 . 2 . 2 56 56 TYR CA C 13 57.658 0.400 . 1 . . . . B 1619 TYR CA . 34728 3 503 . 2 . 2 56 56 TYR CB C 13 40.259 0.400 . 1 . . . . B 1619 TYR CB . 34728 3 504 . 2 . 2 56 56 TYR CD1 C 13 133.164 0.400 . 1 . . . . B 1619 TYR CD1 . 34728 3 505 . 2 . 2 56 56 TYR CE1 C 13 118.236 0.400 . 1 . . . . B 1619 TYR CE1 . 34728 3 506 . 2 . 2 56 56 TYR N N 15 123.219 0.400 . 1 . . . . B 1619 TYR N . 34728 3 507 . 2 . 2 57 57 THR H H 1 6.730 0.020 . 1 . . . . B 1620 THR H . 34728 3 508 . 2 . 2 57 57 THR HA H 1 5.019 0.020 . 1 . . . . B 1620 THR HA . 34728 3 509 . 2 . 2 57 57 THR HB H 1 3.614 0.020 . 1 . . . . B 1620 THR HB . 34728 3 510 . 2 . 2 57 57 THR HG21 H 1 1.047 0.020 . 1 . . . . B 1620 THR HG21 . 34728 3 511 . 2 . 2 57 57 THR HG22 H 1 1.047 0.020 . 1 . . . . B 1620 THR HG22 . 34728 3 512 . 2 . 2 57 57 THR HG23 H 1 1.047 0.020 . 1 . . . . B 1620 THR HG23 . 34728 3 513 . 2 . 2 57 57 THR CA C 13 60.750 0.400 . 1 . . . . B 1620 THR CA . 34728 3 514 . 2 . 2 57 57 THR CB C 13 69.751 0.400 . 1 . . . . B 1620 THR CB . 34728 3 515 . 2 . 2 57 57 THR CG2 C 13 22.448 0.400 . 1 . . . . B 1620 THR CG2 . 34728 3 516 . 2 . 2 57 57 THR N N 15 123.043 0.400 . 1 . . . . B 1620 THR N . 34728 3 517 . 2 . 2 58 58 CYS H H 1 9.730 0.020 . 1 . . . . B 1621 CYS H . 34728 3 518 . 2 . 2 58 58 CYS HA H 1 4.539 0.020 . 1 . . . . B 1621 CYS HA . 34728 3 519 . 2 . 2 58 58 CYS HB2 H 1 3.835 0.020 . 2 . . . . B 1621 CYS HB2 . 34728 3 520 . 2 . 2 58 58 CYS HB3 H 1 2.608 0.020 . 2 . . . . B 1621 CYS HB3 . 34728 3 521 . 2 . 2 58 58 CYS CA C 13 58.154 0.400 . 1 . . . . B 1621 CYS CA . 34728 3 522 . 2 . 2 58 58 CYS CB C 13 32.020 0.400 . 1 . . . . B 1621 CYS CB . 34728 3 523 . 2 . 2 58 58 CYS N N 15 129.963 0.400 . 1 . . . . B 1621 CYS N . 34728 3 524 . 2 . 2 59 59 VAL H H 1 9.853 0.020 . 1 . . . . B 1622 VAL H . 34728 3 525 . 2 . 2 59 59 VAL HA H 1 3.727 0.020 . 1 . . . . B 1622 VAL HA . 34728 3 526 . 2 . 2 59 59 VAL HB H 1 2.171 0.020 . 1 . . . . B 1622 VAL HB . 34728 3 527 . 2 . 2 59 59 VAL HG11 H 1 1.098 0.020 . 2 . . . . B 1622 VAL HG11 . 34728 3 528 . 2 . 2 59 59 VAL HG12 H 1 1.098 0.020 . 2 . . . . B 1622 VAL HG12 . 34728 3 529 . 2 . 2 59 59 VAL HG13 H 1 1.098 0.020 . 2 . . . . B 1622 VAL HG13 . 34728 3 530 . 2 . 2 59 59 VAL HG21 H 1 0.967 0.020 . 2 . . . . B 1622 VAL HG21 . 34728 3 531 . 2 . 2 59 59 VAL HG22 H 1 0.967 0.020 . 2 . . . . B 1622 VAL HG22 . 34728 3 532 . 2 . 2 59 59 VAL HG23 H 1 0.967 0.020 . 2 . . . . B 1622 VAL HG23 . 34728 3 533 . 2 . 2 59 59 VAL CA C 13 65.997 0.400 . 1 . . . . B 1622 VAL CA . 34728 3 534 . 2 . 2 59 59 VAL CB C 13 31.946 0.400 . 1 . . . . B 1622 VAL CB . 34728 3 535 . 2 . 2 59 59 VAL CG1 C 13 21.950 0.400 . 1 . . . . B 1622 VAL CG1 . 34728 3 536 . 2 . 2 59 59 VAL CG2 C 13 21.361 0.400 . 1 . . . . B 1622 VAL CG2 . 34728 3 537 . 2 . 2 59 59 VAL N N 15 121.290 0.400 . 1 . . . . B 1622 VAL N . 34728 3 538 . 2 . 2 60 60 ASN H H 1 8.719 0.020 . 1 . . . . B 1623 ASN H . 34728 3 539 . 2 . 2 60 60 ASN HA H 1 4.502 0.020 . 1 . . . . B 1623 ASN HA . 34728 3 540 . 2 . 2 60 60 ASN HB2 H 1 2.839 0.020 . 1 . . . . B 1623 ASN HB2 . 34728 3 541 . 2 . 2 60 60 ASN HB3 H 1 2.906 0.020 . 1 . . . . B 1623 ASN HB3 . 34728 3 542 . 2 . 2 60 60 ASN HD21 H 1 7.839 0.020 . 2 . . . . B 1623 ASN HD21 . 34728 3 543 . 2 . 2 60 60 ASN HD22 H 1 6.811 0.020 . 2 . . . . B 1623 ASN HD22 . 34728 3 544 . 2 . 2 60 60 ASN CA C 13 56.333 0.400 . 1 . . . . B 1623 ASN CA . 34728 3 545 . 2 . 2 60 60 ASN CB C 13 39.243 0.400 . 1 . . . . B 1623 ASN CB . 34728 3 546 . 2 . 2 60 60 ASN N N 15 120.627 0.400 . 1 . . . . B 1623 ASN N . 34728 3 547 . 2 . 2 60 60 ASN ND2 N 15 112.739 0.400 . 1 . . . . B 1623 ASN ND2 . 34728 3 548 . 2 . 2 61 61 CYS H H 1 8.398 0.020 . 1 . . . . B 1624 CYS H . 34728 3 549 . 2 . 2 61 61 CYS HA H 1 4.000 0.020 . 1 . . . . B 1624 CYS HA . 34728 3 550 . 2 . 2 61 61 CYS HB2 H 1 2.902 0.020 . 2 . . . . B 1624 CYS HB2 . 34728 3 551 . 2 . 2 61 61 CYS HB3 H 1 2.744 0.020 . 2 . . . . B 1624 CYS HB3 . 34728 3 552 . 2 . 2 61 61 CYS CA C 13 63.467 0.400 . 1 . . . . B 1624 CYS CA . 34728 3 553 . 2 . 2 61 61 CYS CB C 13 30.402 0.400 . 1 . . . . B 1624 CYS CB . 34728 3 554 . 2 . 2 61 61 CYS N N 15 122.192 0.400 . 1 . . . . B 1624 CYS N . 34728 3 555 . 2 . 2 62 62 THR H H 1 7.867 0.020 . 1 . . . . B 1625 THR H . 34728 3 556 . 2 . 2 62 62 THR HA H 1 4.009 0.020 . 1 . . . . B 1625 THR HA . 34728 3 557 . 2 . 2 62 62 THR HB H 1 4.167 0.020 . 1 . . . . B 1625 THR HB . 34728 3 558 . 2 . 2 62 62 THR HG21 H 1 1.136 0.020 . 1 . . . . B 1625 THR HG21 . 34728 3 559 . 2 . 2 62 62 THR HG22 H 1 1.136 0.020 . 1 . . . . B 1625 THR HG22 . 34728 3 560 . 2 . 2 62 62 THR HG23 H 1 1.136 0.020 . 1 . . . . B 1625 THR HG23 . 34728 3 561 . 2 . 2 62 62 THR CA C 13 63.906 0.400 . 1 . . . . B 1625 THR CA . 34728 3 562 . 2 . 2 62 62 THR CB C 13 69.748 0.400 . 1 . . . . B 1625 THR CB . 34728 3 563 . 2 . 2 62 62 THR CG2 C 13 21.452 0.400 . 1 . . . . B 1625 THR CG2 . 34728 3 564 . 2 . 2 62 62 THR N N 15 115.368 0.400 . 1 . . . . B 1625 THR N . 34728 3 565 . 2 . 2 63 63 GLU H H 1 8.037 0.020 . 1 . . . . B 1626 GLU H . 34728 3 566 . 2 . 2 63 63 GLU HA H 1 4.232 0.020 . 1 . . . . B 1626 GLU HA . 34728 3 567 . 2 . 2 63 63 GLU HB2 H 1 2.052 0.020 . 1 . . . . B 1626 GLU HB2 . 34728 3 568 . 2 . 2 63 63 GLU HB3 H 1 1.946 0.020 . 1 . . . . B 1626 GLU HB3 . 34728 3 569 . 2 . 2 63 63 GLU HG2 H 1 2.266 0.020 . 1 . . . . B 1626 GLU HG2 . 34728 3 570 . 2 . 2 63 63 GLU HG3 H 1 2.184 0.020 . 1 . . . . B 1626 GLU HG3 . 34728 3 571 . 2 . 2 63 63 GLU CA C 13 56.694 0.400 . 1 . . . . B 1626 GLU CA . 34728 3 572 . 2 . 2 63 63 GLU CB C 13 29.676 0.400 . 1 . . . . B 1626 GLU CB . 34728 3 573 . 2 . 2 63 63 GLU CG C 13 36.407 0.400 . 1 . . . . B 1626 GLU CG . 34728 3 574 . 2 . 2 63 63 GLU N N 15 123.363 0.400 . 1 . . . . B 1626 GLU N . 34728 3 575 . 2 . 2 64 64 ARG H H 1 7.763 0.020 . 1 . . . . B 1627 ARG H . 34728 3 576 . 2 . 2 64 64 ARG HA H 1 4.140 0.020 . 1 . . . . B 1627 ARG HA . 34728 3 577 . 2 . 2 64 64 ARG HB2 H 1 1.823 0.020 . 2 . . . . B 1627 ARG HB2 . 34728 3 578 . 2 . 2 64 64 ARG HB3 H 1 1.674 0.020 . 2 . . . . B 1627 ARG HB3 . 34728 3 579 . 2 . 2 64 64 ARG HG2 H 1 1.571 0.020 . 2 . . . . B 1627 ARG HG2 . 34728 3 580 . 2 . 2 64 64 ARG HG3 H 1 1.571 0.020 . 2 . . . . B 1627 ARG HG3 . 34728 3 581 . 2 . 2 64 64 ARG HD2 H 1 3.153 0.020 . 2 . . . . B 1627 ARG HD2 . 34728 3 582 . 2 . 2 64 64 ARG HD3 H 1 3.153 0.020 . 2 . . . . B 1627 ARG HD3 . 34728 3 583 . 2 . 2 64 64 ARG HE H 1 7.168 0.020 . 1 . . . . B 1627 ARG HE . 34728 3 584 . 2 . 2 64 64 ARG CA C 13 57.465 0.400 . 1 . . . . B 1627 ARG CA . 34728 3 585 . 2 . 2 64 64 ARG CB C 13 31.688 0.400 . 1 . . . . B 1627 ARG CB . 34728 3 586 . 2 . 2 64 64 ARG CG C 13 27.314 0.400 . 1 . . . . B 1627 ARG CG . 34728 3 587 . 2 . 2 64 64 ARG CD C 13 43.579 0.400 . 1 . . . . B 1627 ARG CD . 34728 3 588 . 2 . 2 64 64 ARG N N 15 127.317 0.400 . 1 . . . . B 1627 ARG N . 34728 3 589 . 2 . 2 64 64 ARG NE N 15 85.320 0.400 . 1 . . . . B 1627 ARG NE . 34728 3 stop_ save_