data_4349 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4349 _Entry.Title ; Backbone Resonance Assignments for the Fv Fragment of the Catalytic Antibody NPN43C9 with Bound p-nitrophenol ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-05-19 _Entry.Accession_date 1999-05-19 _Entry.Last_release_date 2007-07-13 _Entry.Original_release_date 2007-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gerard Kroon . 'J. A.' . 4349 2 Maria Martinez-Yamout . A. . 4349 3 Joseph Krebs . F. . 4349 4 John Chung . . . 4349 5 H. Dyson . Jane . 4349 6 Peter Wright . E. . 4349 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4349 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 564 4349 '15N chemical shifts' 195 4349 '1H chemical shifts' 385 4349 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-07-13 1999-05-19 original author . 4349 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4349 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20016852 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kroon, G. J. A., Martinez-Yamout, M. A., Krebs, J. F., Chung, J., Dyson, H. J., and Wright, P. E., "Backbone Resonance Assignments for the Fv Fragment of the Catalytic Antibody NPN43C9 with Bound p-nitrophenol," J. Biomol. NMR 15, 83-84 (1999). ; _Citation.Title ; Backbone Resonance Assignments for the Fv Fragment of the Catalytic Antibody NPN43C9 with Bound p-nitrophenol ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 15 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 83 _Citation.Page_last 84 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gerard Kroon . 'J. A.' . 4349 1 2 Maria Martinez-Yamout . A. . 4349 1 3 Joseph Krebs . F. . 4349 1 4 John Chung . . . 4349 1 5 H. Dyson . Jane . 4349 1 6 Peter Wright . E. . 4349 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Catalytic antibody' 4349 1 'Fv fragment' 4349 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 4349 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation 'Delaglio et al. J. Biomol. NMR, 6, 277 (1995)' _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F Delaglio F. . . 4349 2 2 S Grzesiek S. . . 4349 2 3 'G W' Vuister G. W. . 4349 2 4 G Zhu G. . . 4349 2 5 J Pfeifer J. . . 4349 2 6 A Bax A. . . 4349 2 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 4349 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Johson et al. J. Biomol. NMR, 4, 603 (1994)' _Citation.Title 'NMR View: A computer program for the visualization and analysis of NMR data' _Citation.Status . _Citation.Type . _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 603 _Citation.Page_last 614 _Citation.Year 1994 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 . Johson . . . 4349 3 stop_ save_ save_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode citation_3 _Citation.Entry_ID 4349 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8477186 _Citation.Full_citation 'Grezsiek et al. J. Biomol. NMR, 3, 185 (1993)' _Citation.Title 'Amino acid type determination in the sequential assignment procedure of uniformly 13C/15N-enriched proteins' _Citation.Status . _Citation.Type . _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 185 _Citation.Page_last 204 _Citation.Year 1993 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Grzesiek . . . 4349 4 2 A. Bax . . . 4349 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_FvNPN43C9 _Assembly.Sf_category assembly _Assembly.Sf_framecode FvNPN43C9 _Assembly.Entry_ID 4349 _Assembly.ID 1 _Assembly.Name 'Fv fragment of the catalytic antibody NPN43C9' _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 'fully oxidized' _Assembly.Molecular_mass 29309 _Assembly.Enzyme_commission_number . _Assembly.Details ; The transition state analog in the model structure has been replaced by the product p-nitrophenol in this study. The backbone assignments of the dimer are 90% complete. The 13CA and 13CB chemical shifts were obtained using deuterated protein and are NOT corrected for the deuterium effect. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID heterodimer 4349 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Vh 2 $Vh . . . native . . . . . 4349 1 2 Vl 1 $Vl . . . native . . . . . 4349 1 3 p-nitrophenol 3 $NPO . . . native . . . . . 4349 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 2 . 1 CYS 23 23 SG . 2 . 1 CYS 94 94 SG . . . . . . . . . . 4349 1 2 disulfide single . 1 . 2 CYS 22 22 SG . 1 . 2 CYS 95 95 SG . . . . . . . . . . 4349 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1mig . . . . . . 4349 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Fv fragment of the catalytic antibody NPN43C9' system 4349 1 FvNPN43C9 abbreviation 4349 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'esterolytic antibody' 4349 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vl _Entity.Sf_category entity _Entity.Sf_framecode Vl _Entity.Entry_ID 4349 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Variable light chain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DVVMTQTPSSLAMSVGQKVT MSCKSSQSLLNISNQKNYLA WYQQKPGQSPKLLVYFASTR ESGVPDRFIGSGSGTDFTLT ISSVQAEDQADYFCQQHYRA PRTFGGGTKLEIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 43C9 . "Crystallographic Structure Of The Esterolytic And Amidolytic 43c9 Antibody" . . . . . 100.00 113 100.00 100.00 8.13e-77 . . . . 4349 1 2 no PDB 43CA . "Crystallographic Structure Of The Esterolytic And Amidolytic 43c9 Antibody With Bound P-Nitrophenol" . . . . . 100.00 113 100.00 100.00 8.13e-77 . . . . 4349 1 3 no GB AAA73053 . "7A4-1/212 SCA fusion protein, partial [synthetic construct]" . . . . . 100.00 244 100.00 100.00 4.90e-75 . . . . 4349 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Variable light chain' common 4349 1 vl abbreviation 4349 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 . ASP . 4349 1 2 . VAL . 4349 1 3 . VAL . 4349 1 4 . MET . 4349 1 5 . THR . 4349 1 6 . GLN . 4349 1 7 . THR . 4349 1 8 . PRO . 4349 1 9 . SER . 4349 1 10 . SER . 4349 1 11 . LEU . 4349 1 12 . ALA . 4349 1 13 . MET . 4349 1 14 . SER . 4349 1 15 . VAL . 4349 1 16 . GLY . 4349 1 17 . GLN . 4349 1 18 . LYS . 4349 1 19 . VAL . 4349 1 20 . THR . 4349 1 21 . MET . 4349 1 22 . SER . 4349 1 23 . CYS . 4349 1 24 . LYS . 4349 1 25 . SER . 4349 1 26 . SER . 4349 1 27 . GLN . 4349 1 28 . SER . 4349 1 29 . LEU . 4349 1 30 . LEU . 4349 1 31 . ASN . 4349 1 32 . ILE . 4349 1 33 . SER . 4349 1 34 . ASN . 4349 1 35 . GLN . 4349 1 36 . LYS . 4349 1 37 . ASN . 4349 1 38 . TYR . 4349 1 39 . LEU . 4349 1 40 . ALA . 4349 1 41 . TRP . 4349 1 42 . TYR . 4349 1 43 . GLN . 4349 1 44 . GLN . 4349 1 45 . LYS . 4349 1 46 . PRO . 4349 1 47 . GLY . 4349 1 48 . GLN . 4349 1 49 . SER . 4349 1 50 . PRO . 4349 1 51 . LYS . 4349 1 52 . LEU . 4349 1 53 . LEU . 4349 1 54 . VAL . 4349 1 55 . TYR . 4349 1 56 . PHE . 4349 1 57 . ALA . 4349 1 58 . SER . 4349 1 59 . THR . 4349 1 60 . ARG . 4349 1 61 . GLU . 4349 1 62 . SER . 4349 1 63 . GLY . 4349 1 64 . VAL . 4349 1 65 . PRO . 4349 1 66 . ASP . 4349 1 67 . ARG . 4349 1 68 . PHE . 4349 1 69 . ILE . 4349 1 70 . GLY . 4349 1 71 . SER . 4349 1 72 . GLY . 4349 1 73 . SER . 4349 1 74 . GLY . 4349 1 75 . THR . 4349 1 76 . ASP . 4349 1 77 . PHE . 4349 1 78 . THR . 4349 1 79 . LEU . 4349 1 80 . THR . 4349 1 81 . ILE . 4349 1 82 . SER . 4349 1 83 . SER . 4349 1 84 . VAL . 4349 1 85 . GLN . 4349 1 86 . ALA . 4349 1 87 . GLU . 4349 1 88 . ASP . 4349 1 89 . GLN . 4349 1 90 . ALA . 4349 1 91 . ASP . 4349 1 92 . TYR . 4349 1 93 . PHE . 4349 1 94 . CYS . 4349 1 95 . GLN . 4349 1 96 . GLN . 4349 1 97 . HIS . 4349 1 98 . TYR . 4349 1 99 . ARG . 4349 1 100 . ALA . 4349 1 101 . PRO . 4349 1 102 . ARG . 4349 1 103 . THR . 4349 1 104 . PHE . 4349 1 105 . GLY . 4349 1 106 . GLY . 4349 1 107 . GLY . 4349 1 108 . THR . 4349 1 109 . LYS . 4349 1 110 . LEU . 4349 1 111 . GLU . 4349 1 112 . ILE . 4349 1 113 . LYS . 4349 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 . ASP 1 1 4349 1 . VAL 2 2 4349 1 . VAL 3 3 4349 1 . MET 4 4 4349 1 . THR 5 5 4349 1 . GLN 6 6 4349 1 . THR 7 7 4349 1 . PRO 8 8 4349 1 . SER 9 9 4349 1 . SER 10 10 4349 1 . LEU 11 11 4349 1 . ALA 12 12 4349 1 . MET 13 13 4349 1 . SER 14 14 4349 1 . VAL 15 15 4349 1 . GLY 16 16 4349 1 . GLN 17 17 4349 1 . LYS 18 18 4349 1 . VAL 19 19 4349 1 . THR 20 20 4349 1 . MET 21 21 4349 1 . SER 22 22 4349 1 . CYS 23 23 4349 1 . LYS 24 24 4349 1 . SER 25 25 4349 1 . SER 26 26 4349 1 . GLN 27 27 4349 1 . SER 28 28 4349 1 . LEU 29 29 4349 1 . LEU 30 30 4349 1 . ASN 31 31 4349 1 . ILE 32 32 4349 1 . SER 33 33 4349 1 . ASN 34 34 4349 1 . GLN 35 35 4349 1 . LYS 36 36 4349 1 . ASN 37 37 4349 1 . TYR 38 38 4349 1 . LEU 39 39 4349 1 . ALA 40 40 4349 1 . TRP 41 41 4349 1 . TYR 42 42 4349 1 . GLN 43 43 4349 1 . GLN 44 44 4349 1 . LYS 45 45 4349 1 . PRO 46 46 4349 1 . GLY 47 47 4349 1 . GLN 48 48 4349 1 . SER 49 49 4349 1 . PRO 50 50 4349 1 . LYS 51 51 4349 1 . LEU 52 52 4349 1 . LEU 53 53 4349 1 . VAL 54 54 4349 1 . TYR 55 55 4349 1 . PHE 56 56 4349 1 . ALA 57 57 4349 1 . SER 58 58 4349 1 . THR 59 59 4349 1 . ARG 60 60 4349 1 . GLU 61 61 4349 1 . SER 62 62 4349 1 . GLY 63 63 4349 1 . VAL 64 64 4349 1 . PRO 65 65 4349 1 . ASP 66 66 4349 1 . ARG 67 67 4349 1 . PHE 68 68 4349 1 . ILE 69 69 4349 1 . GLY 70 70 4349 1 . SER 71 71 4349 1 . GLY 72 72 4349 1 . SER 73 73 4349 1 . GLY 74 74 4349 1 . THR 75 75 4349 1 . ASP 76 76 4349 1 . PHE 77 77 4349 1 . THR 78 78 4349 1 . LEU 79 79 4349 1 . THR 80 80 4349 1 . ILE 81 81 4349 1 . SER 82 82 4349 1 . SER 83 83 4349 1 . VAL 84 84 4349 1 . GLN 85 85 4349 1 . ALA 86 86 4349 1 . GLU 87 87 4349 1 . ASP 88 88 4349 1 . GLN 89 89 4349 1 . ALA 90 90 4349 1 . ASP 91 91 4349 1 . TYR 92 92 4349 1 . PHE 93 93 4349 1 . CYS 94 94 4349 1 . GLN 95 95 4349 1 . GLN 96 96 4349 1 . HIS 97 97 4349 1 . TYR 98 98 4349 1 . ARG 99 99 4349 1 . ALA 100 100 4349 1 . PRO 101 101 4349 1 . ARG 102 102 4349 1 . THR 103 103 4349 1 . PHE 104 104 4349 1 . GLY 105 105 4349 1 . GLY 106 106 4349 1 . GLY 107 107 4349 1 . THR 108 108 4349 1 . LYS 109 109 4349 1 . LEU 110 110 4349 1 . GLU 111 111 4349 1 . ILE 112 112 4349 1 . LYS 113 113 4349 1 stop_ save_ save_Vh _Entity.Sf_category entity _Entity.Sf_framecode Vh _Entity.Entry_ID 4349 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Variable heavy chain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QVQLVESGPGLVAPSQSLSI TCTVSGISLSRYNVHWVRQS PGKGLEWLGMIWGGGSIEYN PALKSRLSISKDNSKSQIFL KMNSLQTDDSAMYYCVSYGY GGDRFSYWGQGTLVTVS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Variable heavy chain' common 4349 2 vh abbreviation 4349 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 . GLN . 4349 2 2 . VAL . 4349 2 3 . GLN . 4349 2 4 . LEU . 4349 2 5 . VAL . 4349 2 6 . GLU . 4349 2 7 . SER . 4349 2 8 . GLY . 4349 2 9 . PRO . 4349 2 10 . GLY . 4349 2 11 . LEU . 4349 2 12 . VAL . 4349 2 13 . ALA . 4349 2 14 . PRO . 4349 2 15 . SER . 4349 2 16 . GLN . 4349 2 17 . SER . 4349 2 18 . LEU . 4349 2 19 . SER . 4349 2 20 . ILE . 4349 2 21 . THR . 4349 2 22 . CYS . 4349 2 23 . THR . 4349 2 24 . VAL . 4349 2 25 . SER . 4349 2 26 . GLY . 4349 2 27 . ILE . 4349 2 28 . SER . 4349 2 29 . LEU . 4349 2 30 . SER . 4349 2 31 . ARG . 4349 2 32 . TYR . 4349 2 33 . ASN . 4349 2 34 . VAL . 4349 2 35 . HIS . 4349 2 36 . TRP . 4349 2 37 . VAL . 4349 2 38 . ARG . 4349 2 39 . GLN . 4349 2 40 . SER . 4349 2 41 . PRO . 4349 2 42 . GLY . 4349 2 43 . LYS . 4349 2 44 . GLY . 4349 2 45 . LEU . 4349 2 46 . GLU . 4349 2 47 . TRP . 4349 2 48 . LEU . 4349 2 49 . GLY . 4349 2 50 . MET . 4349 2 51 . ILE . 4349 2 52 . TRP . 4349 2 53 . GLY . 4349 2 54 . GLY . 4349 2 55 . GLY . 4349 2 56 . SER . 4349 2 57 . ILE . 4349 2 58 . GLU . 4349 2 59 . TYR . 4349 2 60 . ASN . 4349 2 61 . PRO . 4349 2 62 . ALA . 4349 2 63 . LEU . 4349 2 64 . LYS . 4349 2 65 . SER . 4349 2 66 . ARG . 4349 2 67 . LEU . 4349 2 68 . SER . 4349 2 69 . ILE . 4349 2 70 . SER . 4349 2 71 . LYS . 4349 2 72 . ASP . 4349 2 73 . ASN . 4349 2 74 . SER . 4349 2 75 . LYS . 4349 2 76 . SER . 4349 2 77 . GLN . 4349 2 78 . ILE . 4349 2 79 . PHE . 4349 2 80 . LEU . 4349 2 81 . LYS . 4349 2 82 . MET . 4349 2 83 . ASN . 4349 2 84 . SER . 4349 2 85 . LEU . 4349 2 86 . GLN . 4349 2 87 . THR . 4349 2 88 . ASP . 4349 2 89 . ASP . 4349 2 90 . SER . 4349 2 91 . ALA . 4349 2 92 . MET . 4349 2 93 . TYR . 4349 2 94 . TYR . 4349 2 95 . CYS . 4349 2 96 . VAL . 4349 2 97 . SER . 4349 2 98 . TYR . 4349 2 99 . GLY . 4349 2 100 . TYR . 4349 2 101 . GLY . 4349 2 102 . GLY . 4349 2 103 . ASP . 4349 2 104 . ARG . 4349 2 105 . PHE . 4349 2 106 . SER . 4349 2 107 . TYR . 4349 2 108 . TRP . 4349 2 109 . GLY . 4349 2 110 . GLN . 4349 2 111 . GLY . 4349 2 112 . THR . 4349 2 113 . LEU . 4349 2 114 . VAL . 4349 2 115 . THR . 4349 2 116 . VAL . 4349 2 117 . SER . 4349 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 . GLN 1 1 4349 2 . VAL 2 2 4349 2 . GLN 3 3 4349 2 . LEU 4 4 4349 2 . VAL 5 5 4349 2 . GLU 6 6 4349 2 . SER 7 7 4349 2 . GLY 8 8 4349 2 . PRO 9 9 4349 2 . GLY 10 10 4349 2 . LEU 11 11 4349 2 . VAL 12 12 4349 2 . ALA 13 13 4349 2 . PRO 14 14 4349 2 . SER 15 15 4349 2 . GLN 16 16 4349 2 . SER 17 17 4349 2 . LEU 18 18 4349 2 . SER 19 19 4349 2 . ILE 20 20 4349 2 . THR 21 21 4349 2 . CYS 22 22 4349 2 . THR 23 23 4349 2 . VAL 24 24 4349 2 . SER 25 25 4349 2 . GLY 26 26 4349 2 . ILE 27 27 4349 2 . SER 28 28 4349 2 . LEU 29 29 4349 2 . SER 30 30 4349 2 . ARG 31 31 4349 2 . TYR 32 32 4349 2 . ASN 33 33 4349 2 . VAL 34 34 4349 2 . HIS 35 35 4349 2 . TRP 36 36 4349 2 . VAL 37 37 4349 2 . ARG 38 38 4349 2 . GLN 39 39 4349 2 . SER 40 40 4349 2 . PRO 41 41 4349 2 . GLY 42 42 4349 2 . LYS 43 43 4349 2 . GLY 44 44 4349 2 . LEU 45 45 4349 2 . GLU 46 46 4349 2 . TRP 47 47 4349 2 . LEU 48 48 4349 2 . GLY 49 49 4349 2 . MET 50 50 4349 2 . ILE 51 51 4349 2 . TRP 52 52 4349 2 . GLY 53 53 4349 2 . GLY 54 54 4349 2 . GLY 55 55 4349 2 . SER 56 56 4349 2 . ILE 57 57 4349 2 . GLU 58 58 4349 2 . TYR 59 59 4349 2 . ASN 60 60 4349 2 . PRO 61 61 4349 2 . ALA 62 62 4349 2 . LEU 63 63 4349 2 . LYS 64 64 4349 2 . SER 65 65 4349 2 . ARG 66 66 4349 2 . LEU 67 67 4349 2 . SER 68 68 4349 2 . ILE 69 69 4349 2 . SER 70 70 4349 2 . LYS 71 71 4349 2 . ASP 72 72 4349 2 . ASN 73 73 4349 2 . SER 74 74 4349 2 . LYS 75 75 4349 2 . SER 76 76 4349 2 . GLN 77 77 4349 2 . ILE 78 78 4349 2 . PHE 79 79 4349 2 . LEU 80 80 4349 2 . LYS 81 81 4349 2 . MET 82 82 4349 2 . ASN 83 83 4349 2 . SER 84 84 4349 2 . LEU 85 85 4349 2 . GLN 86 86 4349 2 . THR 87 87 4349 2 . ASP 88 88 4349 2 . ASP 89 89 4349 2 . SER 90 90 4349 2 . ALA 91 91 4349 2 . MET 92 92 4349 2 . TYR 93 93 4349 2 . TYR 94 94 4349 2 . CYS 95 95 4349 2 . VAL 96 96 4349 2 . SER 97 97 4349 2 . TYR 98 98 4349 2 . GLY 99 99 4349 2 . TYR 100 100 4349 2 . GLY 101 101 4349 2 . GLY 102 102 4349 2 . ASP 103 103 4349 2 . ARG 104 104 4349 2 . PHE 105 105 4349 2 . SER 106 106 4349 2 . TYR 107 107 4349 2 . TRP 108 108 4349 2 . GLY 109 109 4349 2 . GLN 110 110 4349 2 . GLY 111 111 4349 2 . THR 112 112 4349 2 . LEU 113 113 4349 2 . VAL 114 114 4349 2 . THR 115 115 4349 2 . VAL 116 116 4349 2 . SER 117 117 4349 2 stop_ save_ save_NPO _Entity.Sf_category entity _Entity.Sf_framecode NPO _Entity.Entry_ID 4349 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name NPO _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID NPO _Entity.Nonpolymer_comp_label $chem_comp_NPO _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . NPO . 4349 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4349 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 2 $Vh . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4349 1 2 1 $Vl . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4349 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 4349 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $Vh . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pJK34 . . . . . . 4349 1 2 1 $Vl . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pJK34 . . . . . . 4349 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NPO _Chem_comp.Entry_ID 4349 _Chem_comp.ID NPO _Chem_comp.Provenance . _Chem_comp.Name P-NITROPHENOL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NPO _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C6 H5 N O3' _Chem_comp.Formula_weight 139.109 _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 1YEK _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:35:50 2011 ; _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 BTJIUGUIPKRLHP-UHFFFAOYSA-N InChIKey InChI 1.03 4349 NPO c1cc(ccc1[N+](=O)[O-])O SMILES 'OpenEye OEToolkits' 1.5.0 4349 NPO c1cc(ccc1[N+](=O)[O-])O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4349 NPO InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H InChI InChI 1.03 4349 NPO Oc1ccc(cc1)[N+]([O-])=O SMILES CACTVS 3.341 4349 NPO Oc1ccc(cc1)[N+]([O-])=O SMILES_CANONICAL CACTVS 3.341 4349 NPO O=[N+]([O-])c1ccc(O)cc1 SMILES ACDLabs 10.04 4349 NPO 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 4-nitrophenol 'SYSTEMATIC NAME' ACDLabs 10.04 4349 NPO 4-nitrophenol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4349 NPO 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 C1 . C1 . . C . . N 0 . . . . yes no . . . . 8.910 . 39.648 . 61.906 . 0.012 -0.002 -0.655 1 . 4349 NPO C2 . C2 . . C . . N 0 . . . . yes no . . . . 10.070 . 40.068 . 61.323 . 1.224 -0.007 0.062 2 . 4349 NPO C3 . C3 . . C . . N 0 . . . . yes no . . . . 11.137 . 39.196 . 61.264 . 1.205 -0.014 1.425 3 . 4349 NPO C4 . C4 . . C . . N 0 . . . . yes no . . . . 11.038 . 37.914 . 61.785 . -0.009 -0.017 2.109 4 . 4349 NPO C5 . C5 . . C . . N 0 . . . . yes no . . . . 9.866 . 37.477 . 62.370 . -1.212 -0.018 1.406 5 . 4349 NPO C6 . C6 . . C . . N 0 . . . . yes no . . . . 8.799 . 38.352 . 62.428 . -1.210 -0.005 0.042 6 . 4349 NPO OH . OH . . O . . N 0 . . . . no no . . . . 12.127 . 37.088 . 61.720 . -0.019 -0.025 3.464 7 . 4349 NPO N1 . N1 . . N . . N 1 . . . . no no . . . . 7.794 . 40.574 . 62.035 . 0.023 0.005 -1.995 8 . 4349 NPO O2 . O2 . . O . . N -1 . . . . no no . . . . 7.893 . 41.764 . 61.696 . -1.026 0.009 -2.612 9 . 4349 NPO O3 . O3 . . O . . N 0 . . . . no no . . . . 6.743 . 40.151 . 62.503 . 1.083 0.008 -2.596 10 . 4349 NPO H2 . H2 . . H . . N 0 . . . . no no . . . . 10.143 . 41.087 . 60.909 . 2.166 -0.004 -0.466 11 . 4349 NPO H3 . H3 . . H . . N 0 . . . . no no . . . . 12.079 . 39.527 . 60.795 . 2.133 -0.018 1.977 12 . 4349 NPO H5 . H5 . . H . . N 0 . . . . no no . . . . 9.784 . 36.456 . 62.780 . -2.149 -0.020 1.943 13 . 4349 NPO H6 . H6 . . H . . N 0 . . . . no no . . . . 7.856 . 38.015 . 62.892 . -2.143 -0.001 -0.500 14 . 4349 NPO HO . HO . . H . . N 0 . . . . no no . . . . 12.059 . 36.210 . 62.076 . -0.021 0.898 3.748 15 . 4349 NPO 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 . DOUB C1 C2 yes N 1 . 4349 NPO 2 . SING C1 C6 yes N 2 . 4349 NPO 3 . SING C1 N1 no N 3 . 4349 NPO 4 . SING C2 C3 yes N 4 . 4349 NPO 5 . SING C2 H2 no N 5 . 4349 NPO 6 . DOUB C3 C4 yes N 6 . 4349 NPO 7 . SING C3 H3 no N 7 . 4349 NPO 8 . SING C4 C5 yes N 8 . 4349 NPO 9 . SING C4 OH no N 9 . 4349 NPO 10 . DOUB C5 C6 yes N 10 . 4349 NPO 11 . SING C5 H5 no N 11 . 4349 NPO 12 . SING C6 H6 no N 12 . 4349 NPO 13 . SING OH HO no N 13 . 4349 NPO 14 . SING N1 O2 no N 14 . 4349 NPO 15 . DOUB N1 O3 no N 15 . 4349 NPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4349 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; All samples contained the same concentration of protein and were made using the same buffer conditions. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Variable heavy chain' '[U-90% 15N; U-90% 13C, U-70% 2H]' . . 2 $Vh . . 0.5 . . mM . . . . 4349 1 2 'Variable light chain' '[U-90% 15N; U-90% 13C, U-70% 2H]' . . 1 $Vl . . 0.5 . . mM . . . . 4349 1 3 d11Tris . . . . . . . 10 . . mM . . . . 4349 1 4 NaCl . . . . . . . 100 . . mM . . . . 4349 1 5 p-nitrophenol . . . . . . . 80 . . uM . . . . 4349 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4349 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 4349 1 temperature 298 1 K 4349 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4349 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4349 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $citation_1 4349 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4349 _Software.ID 2 _Software.Name NMRView _Software.Version NMRView3.1.2. _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4349 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $citation_2 4349 2 stop_ save_ save_seq_prob _Software.Sf_category software _Software.Sf_framecode seq_prob _Software.Entry_ID 4349 _Software.ID 3 _Software.Name seq_prob _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 4349 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $citation_3 4349 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4349 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4349 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4349 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4349 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 500 . . . 4349 1 2 spectrometer_2 Bruker DRX . 600 . . . 4349 1 3 spectrometer_3 Bruker DRX . 800 . . . 4349 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 4349 _Experiment_list.ID 1 _Experiment_list.Details ; The HNCA, HN(CO)CA, HNCACB and HN(CO)CACB were done using 15N/13C/2H labeled protein. The HNCACB and HN(CO)CACB were optimized to obtain only the 13CB resonances. ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 2 '3D 1H-1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 3 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 4 '3D HNCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 5 '3D HN(CO)CA' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 6 '3D HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 7 '3D HN(CO)CACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 8 '3D HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 4349 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_set_1 _Chem_shift_reference.Entry_ID 4349 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4349 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 4349 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4349 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_Vl _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_Vl _Assigned_chem_shift_list.Entry_ID 4349 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_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 ; The chemical shifts for 13CA and 13CB have NOT been corrected for the deuterium effect. Sample = "Vl bound" ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4349 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 1 2 2 VAL C C 13 176.2 0.5 . 1 . . . . . . . . 4349 1 2 . 2 1 2 2 VAL CB C 13 40.4 0.3 . 1 . . . . . . . . 4349 1 3 . 2 1 3 3 VAL H H 1 8.51 0.04 . 1 . . . . . . . . 4349 1 4 . 2 1 3 3 VAL HA H 1 4.03 0.04 . 1 . . . . . . . . 4349 1 5 . 2 1 3 3 VAL C C 13 175.5 0.5 . 1 . . . . . . . . 4349 1 6 . 2 1 3 3 VAL CA C 13 62.0 0.3 . 1 . . . . . . . . 4349 1 7 . 2 1 3 3 VAL CB C 13 33.5 0.3 . 1 . . . . . . . . 4349 1 8 . 2 1 3 3 VAL N N 15 127.7 0.3 . 1 . . . . . . . . 4349 1 9 . 2 1 4 4 MET H H 1 8.86 0.04 . 1 . . . . . . . . 4349 1 10 . 2 1 4 4 MET HA H 1 5.44 0.04 . 1 . . . . . . . . 4349 1 11 . 2 1 4 4 MET C C 13 176.1 0.5 . 1 . . . . . . . . 4349 1 12 . 2 1 4 4 MET CA C 13 51.5 0.3 . 1 . . . . . . . . 4349 1 13 . 2 1 4 4 MET CB C 13 30.3 0.3 . 1 . . . . . . . . 4349 1 14 . 2 1 4 4 MET N N 15 127.6 0.3 . 1 . . . . . . . . 4349 1 15 . 2 1 5 5 THR H H 1 9.50 0.04 . 1 . . . . . . . . 4349 1 16 . 2 1 5 5 THR HA H 1 4.61 0.04 . 1 . . . . . . . . 4349 1 17 . 2 1 5 5 THR C C 13 171.9 0.5 . 1 . . . . . . . . 4349 1 18 . 2 1 5 5 THR CA C 13 61.9 0.3 . 1 . . . . . . . . 4349 1 19 . 2 1 5 5 THR CB C 13 70.0 0.3 . 1 . . . . . . . . 4349 1 20 . 2 1 5 5 THR N N 15 120.5 0.3 . 1 . . . . . . . . 4349 1 21 . 2 1 6 6 GLN H H 1 8.56 0.04 . 1 . . . . . . . . 4349 1 22 . 2 1 6 6 GLN HA H 1 4.86 0.04 . 1 . . . . . . . . 4349 1 23 . 2 1 6 6 GLN C C 13 175.7 0.5 . 1 . . . . . . . . 4349 1 24 . 2 1 6 6 GLN CA C 13 60.0 0.3 . 1 . . . . . . . . 4349 1 25 . 2 1 6 6 GLN CB C 13 31.0 0.3 . 1 . . . . . . . . 4349 1 26 . 2 1 6 6 GLN N N 15 129.6 0.3 . 1 . . . . . . . . 4349 1 27 . 2 1 7 7 THR H H 1 8.24 0.04 . 1 . . . . . . . . 4349 1 28 . 2 1 7 7 THR HA H 1 4.14 0.04 . 1 . . . . . . . . 4349 1 29 . 2 1 7 7 THR CA C 13 59.8 0.3 . 1 . . . . . . . . 4349 1 30 . 2 1 7 7 THR CB C 13 65.1 0.3 . 1 . . . . . . . . 4349 1 31 . 2 1 7 7 THR N N 15 127.8 0.3 . 1 . . . . . . . . 4349 1 32 . 2 1 8 8 PRO C C 13 177.6 0.5 . 1 . . . . . . . . 4349 1 33 . 2 1 8 8 PRO CB C 13 30.8 0.3 . 1 . . . . . . . . 4349 1 34 . 2 1 9 9 SER H H 1 9.28 0.04 . 1 . . . . . . . . 4349 1 35 . 2 1 9 9 SER C C 13 175.8 0.5 . 1 . . . . . . . . 4349 1 36 . 2 1 9 9 SER CA C 13 61.2 0.3 . 1 . . . . . . . . 4349 1 37 . 2 1 9 9 SER CB C 13 62.9 0.3 . 1 . . . . . . . . 4349 1 38 . 2 1 9 9 SER N N 15 115.6 0.3 . 1 . . . . . . . . 4349 1 39 . 2 1 10 10 SER H H 1 7.73 0.04 . 1 . . . . . . . . 4349 1 40 . 2 1 10 10 SER HA H 1 5.33 0.04 . 1 . . . . . . . . 4349 1 41 . 2 1 10 10 SER C C 13 172.0 0.5 . 1 . . . . . . . . 4349 1 42 . 2 1 10 10 SER CA C 13 57.2 0.3 . 1 . . . . . . . . 4349 1 43 . 2 1 10 10 SER CB C 13 64.9 0.3 . 1 . . . . . . . . 4349 1 44 . 2 1 10 10 SER N N 15 115.8 0.3 . 1 . . . . . . . . 4349 1 45 . 2 1 11 11 LEU H H 1 8.86 0.04 . 1 . . . . . . . . 4349 1 46 . 2 1 11 11 LEU HA H 1 4.59 0.04 . 1 . . . . . . . . 4349 1 47 . 2 1 11 11 LEU C C 13 173.8 0.5 . 1 . . . . . . . . 4349 1 48 . 2 1 11 11 LEU CA C 13 54.7 0.3 . 1 . . . . . . . . 4349 1 49 . 2 1 11 11 LEU CB C 13 46.2 0.3 . 1 . . . . . . . . 4349 1 50 . 2 1 11 11 LEU N N 15 124.6 0.3 . 1 . . . . . . . . 4349 1 51 . 2 1 12 12 ALA H H 1 8.42 0.04 . 1 . . . . . . . . 4349 1 52 . 2 1 12 12 ALA HA H 1 5.46 0.04 . 1 . . . . . . . . 4349 1 53 . 2 1 12 12 ALA C C 13 175.1 0.5 . 1 . . . . . . . . 4349 1 54 . 2 1 12 12 ALA CA C 13 50.3 0.3 . 1 . . . . . . . . 4349 1 55 . 2 1 12 12 ALA CB C 13 19.4 0.3 . 1 . . . . . . . . 4349 1 56 . 2 1 12 12 ALA N N 15 127.8 0.3 . 1 . . . . . . . . 4349 1 57 . 2 1 13 13 MET H H 1 8.53 0.04 . 1 . . . . . . . . 4349 1 58 . 2 1 13 13 MET HA H 1 4.99 0.04 . 1 . . . . . . . . 4349 1 59 . 2 1 13 13 MET C C 13 174.5 0.5 . 1 . . . . . . . . 4349 1 60 . 2 1 13 13 MET CA C 13 52.7 0.3 . 1 . . . . . . . . 4349 1 61 . 2 1 13 13 MET CB C 13 35.6 0.3 . 1 . . . . . . . . 4349 1 62 . 2 1 13 13 MET N N 15 121.4 0.3 . 1 . . . . . . . . 4349 1 63 . 2 1 14 14 SER H H 1 8.28 0.04 . 1 . . . . . . . . 4349 1 64 . 2 1 14 14 SER HA H 1 4.97 0.04 . 1 . . . . . . . . 4349 1 65 . 2 1 14 14 SER C C 13 173.3 0.5 . 1 . . . . . . . . 4349 1 66 . 2 1 14 14 SER CA C 13 57.1 0.3 . 1 . . . . . . . . 4349 1 67 . 2 1 14 14 SER CB C 13 64.7 0.3 . 1 . . . . . . . . 4349 1 68 . 2 1 14 14 SER N N 15 116.5 0.3 . 1 . . . . . . . . 4349 1 69 . 2 1 15 15 VAL H H 1 8.24 0.04 . 1 . . . . . . . . 4349 1 70 . 2 1 15 15 VAL HA H 1 3.36 0.04 . 1 . . . . . . . . 4349 1 71 . 2 1 15 15 VAL C C 13 177.8 0.5 . 1 . . . . . . . . 4349 1 72 . 2 1 15 15 VAL CA C 13 64.5 0.3 . 1 . . . . . . . . 4349 1 73 . 2 1 15 15 VAL CB C 13 31.1 0.3 . 1 . . . . . . . . 4349 1 74 . 2 1 15 15 VAL N N 15 120.9 0.3 . 1 . . . . . . . . 4349 1 75 . 2 1 16 16 GLY H H 1 9.50 0.04 . 1 . . . . . . . . 4349 1 76 . 2 1 16 16 GLY HA2 H 1 4.28 0.04 . 1 . . . . . . . . 4349 1 77 . 2 1 16 16 GLY HA3 H 1 4.28 0.04 . 1 . . . . . . . . 4349 1 78 . 2 1 16 16 GLY C C 13 175.2 0.5 . 1 . . . . . . . . 4349 1 79 . 2 1 16 16 GLY CA C 13 44.1 0.3 . 1 . . . . . . . . 4349 1 80 . 2 1 16 16 GLY N N 15 115.8 0.3 . 1 . . . . . . . . 4349 1 81 . 2 1 17 17 GLN H H 1 7.57 0.04 . 1 . . . . . . . . 4349 1 82 . 2 1 17 17 GLN HA H 1 4.30 0.04 . 1 . . . . . . . . 4349 1 83 . 2 1 17 17 GLN C C 13 174.4 0.5 . 1 . . . . . . . . 4349 1 84 . 2 1 17 17 GLN CA C 13 56.0 0.3 . 1 . . . . . . . . 4349 1 85 . 2 1 17 17 GLN CB C 13 30.2 0.3 . 1 . . . . . . . . 4349 1 86 . 2 1 17 17 GLN N N 15 120.2 0.3 . 1 . . . . . . . . 4349 1 87 . 2 1 18 18 LYS H H 1 8.17 0.04 . 1 . . . . . . . . 4349 1 88 . 2 1 18 18 LYS HA H 1 4.61 0.04 . 1 . . . . . . . . 4349 1 89 . 2 1 18 18 LYS C C 13 176.3 0.5 . 1 . . . . . . . . 4349 1 90 . 2 1 18 18 LYS CA C 13 55.4 0.3 . 1 . . . . . . . . 4349 1 91 . 2 1 18 18 LYS CB C 13 32.6 0.3 . 1 . . . . . . . . 4349 1 92 . 2 1 18 18 LYS N N 15 122.8 0.3 . 1 . . . . . . . . 4349 1 93 . 2 1 19 19 VAL H H 1 8.52 0.04 . 1 . . . . . . . . 4349 1 94 . 2 1 19 19 VAL HA H 1 4.29 0.04 . 1 . . . . . . . . 4349 1 95 . 2 1 19 19 VAL CA C 13 60.3 0.3 . 1 . . . . . . . . 4349 1 96 . 2 1 19 19 VAL CB C 13 34.5 0.3 . 1 . . . . . . . . 4349 1 97 . 2 1 19 19 VAL N N 15 127.0 0.3 . 1 . . . . . . . . 4349 1 98 . 2 1 20 20 THR H H 1 8.12 0.04 . 1 . . . . . . . . 4349 1 99 . 2 1 20 20 THR HA H 1 4.84 0.04 . 1 . . . . . . . . 4349 1 100 . 2 1 20 20 THR CA C 13 61.3 0.3 . 1 . . . . . . . . 4349 1 101 . 2 1 20 20 THR CB C 13 70.8 0.3 . 1 . . . . . . . . 4349 1 102 . 2 1 20 20 THR N N 15 120.4 0.3 . 1 . . . . . . . . 4349 1 103 . 2 1 21 21 MET H H 1 8.69 0.04 . 1 . . . . . . . . 4349 1 104 . 2 1 21 21 MET HA H 1 4.71 0.04 . 1 . . . . . . . . 4349 1 105 . 2 1 21 21 MET C C 13 174.0 0.5 . 1 . . . . . . . . 4349 1 106 . 2 1 21 21 MET CA C 13 54.9 0.3 . 1 . . . . . . . . 4349 1 107 . 2 1 21 21 MET CB C 13 34.7 0.3 . 1 . . . . . . . . 4349 1 108 . 2 1 21 21 MET N N 15 125.0 0.3 . 1 . . . . . . . . 4349 1 109 . 2 1 22 22 SER H H 1 8.83 0.04 . 1 . . . . . . . . 4349 1 110 . 2 1 22 22 SER HA H 1 5.56 0.04 . 1 . . . . . . . . 4349 1 111 . 2 1 22 22 SER C C 13 174.8 0.5 . 1 . . . . . . . . 4349 1 112 . 2 1 22 22 SER CA C 13 57.9 0.3 . 1 . . . . . . . . 4349 1 113 . 2 1 22 22 SER CB C 13 64.9 0.3 . 1 . . . . . . . . 4349 1 114 . 2 1 22 22 SER N N 15 115.6 0.3 . 1 . . . . . . . . 4349 1 115 . 2 1 23 23 CYS H H 1 9.35 0.04 . 1 . . . . . . . . 4349 1 116 . 2 1 23 23 CYS HA H 1 5.17 0.04 . 1 . . . . . . . . 4349 1 117 . 2 1 23 23 CYS C C 13 171.3 0.5 . 1 . . . . . . . . 4349 1 118 . 2 1 23 23 CYS CA C 13 56.0 0.3 . 1 . . . . . . . . 4349 1 119 . 2 1 23 23 CYS CB C 13 47.4 0.3 . 1 . . . . . . . . 4349 1 120 . 2 1 23 23 CYS N N 15 128.2 0.3 . 1 . . . . . . . . 4349 1 121 . 2 1 24 24 LYS H H 1 9.00 0.04 . 1 . . . . . . . . 4349 1 122 . 2 1 24 24 LYS HA H 1 5.76 0.04 . 1 . . . . . . . . 4349 1 123 . 2 1 24 24 LYS C C 13 175.7 0.5 . 1 . . . . . . . . 4349 1 124 . 2 1 24 24 LYS CA C 13 53.8 0.3 . 1 . . . . . . . . 4349 1 125 . 2 1 24 24 LYS CB C 13 35.4 0.3 . 1 . . . . . . . . 4349 1 126 . 2 1 24 24 LYS N N 15 128.6 0.3 . 1 . . . . . . . . 4349 1 127 . 2 1 25 25 SER H H 1 9.28 0.04 . 1 . . . . . . . . 4349 1 128 . 2 1 25 25 SER HA H 1 5.57 0.04 . 1 . . . . . . . . 4349 1 129 . 2 1 25 25 SER C C 13 176.2 0.5 . 1 . . . . . . . . 4349 1 130 . 2 1 25 25 SER CA C 13 55.6 0.3 . 1 . . . . . . . . 4349 1 131 . 2 1 25 25 SER CB C 13 66.6 0.3 . 1 . . . . . . . . 4349 1 132 . 2 1 25 25 SER N N 15 119.4 0.3 . 1 . . . . . . . . 4349 1 133 . 2 1 26 26 SER H H 1 8.17 0.04 . 1 . . . . . . . . 4349 1 134 . 2 1 26 26 SER HA H 1 4.90 0.04 . 1 . . . . . . . . 4349 1 135 . 2 1 26 26 SER C C 13 174.3 0.5 . 1 . . . . . . . . 4349 1 136 . 2 1 26 26 SER CA C 13 60.2 0.3 . 1 . . . . . . . . 4349 1 137 . 2 1 26 26 SER CB C 13 62.5 0.3 . 1 . . . . . . . . 4349 1 138 . 2 1 26 26 SER N N 15 116.8 0.3 . 1 . . . . . . . . 4349 1 139 . 2 1 27 27 GLN H H 1 7.30 0.04 . 1 . . . . . . . . 4349 1 140 . 2 1 27 27 GLN HA H 1 4.48 0.04 . 1 . . . . . . . . 4349 1 141 . 2 1 27 27 GLN C C 13 174.5 0.5 . 1 . . . . . . . . 4349 1 142 . 2 1 27 27 GLN CA C 13 53.8 0.3 . 1 . . . . . . . . 4349 1 143 . 2 1 27 27 GLN CB C 13 32.4 0.3 . 1 . . . . . . . . 4349 1 144 . 2 1 27 27 GLN N N 15 117.3 0.3 . 1 . . . . . . . . 4349 1 145 . 2 1 28 28 SER H H 1 8.58 0.04 . 1 . . . . . . . . 4349 1 146 . 2 1 28 28 SER C C 13 176.2 0.5 . 1 . . . . . . . . 4349 1 147 . 2 1 28 28 SER CA C 13 58.1 0.3 . 1 . . . . . . . . 4349 1 148 . 2 1 28 28 SER CB C 13 64.8 0.3 . 1 . . . . . . . . 4349 1 149 . 2 1 28 28 SER N N 15 117.1 0.3 . 1 . . . . . . . . 4349 1 150 . 2 1 29 29 LEU H H 1 8.54 0.04 . 1 . . . . . . . . 4349 1 151 . 2 1 29 29 LEU HA H 1 3.88 0.04 . 1 . . . . . . . . 4349 1 152 . 2 1 29 29 LEU C C 13 175.7 0.5 . 1 . . . . . . . . 4349 1 153 . 2 1 29 29 LEU CA C 13 52.7 0.3 . 1 . . . . . . . . 4349 1 154 . 2 1 29 29 LEU CB C 13 40.8 0.3 . 1 . . . . . . . . 4349 1 155 . 2 1 29 29 LEU N N 15 125.0 0.3 . 1 . . . . . . . . 4349 1 156 . 2 1 30 30 LEU H H 1 7.50 0.04 . 1 . . . . . . . . 4349 1 157 . 2 1 30 30 LEU HA H 1 4.27 0.04 . 1 . . . . . . . . 4349 1 158 . 2 1 30 30 LEU C C 13 175.5 0.5 . 1 . . . . . . . . 4349 1 159 . 2 1 30 30 LEU CA C 13 54.5 0.3 . 1 . . . . . . . . 4349 1 160 . 2 1 30 30 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 4349 1 161 . 2 1 30 30 LEU N N 15 122.5 0.3 . 1 . . . . . . . . 4349 1 162 . 2 1 31 31 ASN H H 1 9.01 0.04 . 1 . . . . . . . . 4349 1 163 . 2 1 31 31 ASN C C 13 174.8 0.5 . 1 . . . . . . . . 4349 1 164 . 2 1 31 31 ASN CA C 13 51.9 0.3 . 1 . . . . . . . . 4349 1 165 . 2 1 31 31 ASN CB C 13 39.5 0.3 . 1 . . . . . . . . 4349 1 166 . 2 1 31 31 ASN N N 15 129.0 0.3 . 1 . . . . . . . . 4349 1 167 . 2 1 32 32 ILE H H 1 8.56 0.04 . 1 . . . . . . . . 4349 1 168 . 2 1 32 32 ILE HA H 1 4.71 0.04 . 1 . . . . . . . . 4349 1 169 . 2 1 32 32 ILE C C 13 177.4 0.5 . 1 . . . . . . . . 4349 1 170 . 2 1 32 32 ILE CA C 13 63.3 0.3 . 1 . . . . . . . . 4349 1 171 . 2 1 32 32 ILE CB C 13 37.2 0.3 . 1 . . . . . . . . 4349 1 172 . 2 1 32 32 ILE N N 15 124.7 0.3 . 1 . . . . . . . . 4349 1 173 . 2 1 33 33 SER H H 1 8.40 0.04 . 1 . . . . . . . . 4349 1 174 . 2 1 33 33 SER HA H 1 4.71 0.04 . 1 . . . . . . . . 4349 1 175 . 2 1 33 33 SER C C 13 175.5 0.5 . 1 . . . . . . . . 4349 1 176 . 2 1 33 33 SER CA C 13 60.8 0.3 . 1 . . . . . . . . 4349 1 177 . 2 1 33 33 SER CB C 13 62.8 0.3 . 1 . . . . . . . . 4349 1 178 . 2 1 33 33 SER N N 15 116.8 0.3 . 1 . . . . . . . . 4349 1 179 . 2 1 34 34 ASN H H 1 7.32 0.04 . 1 . . . . . . . . 4349 1 180 . 2 1 34 34 ASN HA H 1 4.77 0.04 . 1 . . . . . . . . 4349 1 181 . 2 1 34 34 ASN C C 13 175.1 0.5 . 1 . . . . . . . . 4349 1 182 . 2 1 34 34 ASN CA C 13 51.5 0.3 . 1 . . . . . . . . 4349 1 183 . 2 1 34 34 ASN CB C 13 38.4 0.3 . 1 . . . . . . . . 4349 1 184 . 2 1 34 34 ASN N N 15 116.0 0.3 . 1 . . . . . . . . 4349 1 185 . 2 1 35 35 GLN H H 1 8.46 0.04 . 1 . . . . . . . . 4349 1 186 . 2 1 35 35 GLN HA H 1 3.62 0.04 . 1 . . . . . . . . 4349 1 187 . 2 1 35 35 GLN C C 13 174.5 0.5 . 1 . . . . . . . . 4349 1 188 . 2 1 35 35 GLN CA C 13 57.0 0.3 . 1 . . . . . . . . 4349 1 189 . 2 1 35 35 GLN CB C 13 25.0 0.3 . 1 . . . . . . . . 4349 1 190 . 2 1 35 35 GLN N N 15 114.2 0.3 . 1 . . . . . . . . 4349 1 191 . 2 1 36 36 LYS H H 1 7.96 0.04 . 1 . . . . . . . . 4349 1 192 . 2 1 36 36 LYS HA H 1 4.59 0.04 . 1 . . . . . . . . 4349 1 193 . 2 1 36 36 LYS C C 13 175.4 0.5 . 1 . . . . . . . . 4349 1 194 . 2 1 36 36 LYS CA C 13 54.9 0.3 . 1 . . . . . . . . 4349 1 195 . 2 1 36 36 LYS CB C 13 34.1 0.3 . 1 . . . . . . . . 4349 1 196 . 2 1 36 36 LYS N N 15 117.7 0.3 . 1 . . . . . . . . 4349 1 197 . 2 1 37 37 ASN H H 1 9.16 0.04 . 1 . . . . . . . . 4349 1 198 . 2 1 37 37 ASN HA H 1 5.47 0.04 . 1 . . . . . . . . 4349 1 199 . 2 1 37 37 ASN C C 13 176.1 0.5 . 1 . . . . . . . . 4349 1 200 . 2 1 37 37 ASN CA C 13 52.5 0.3 . 1 . . . . . . . . 4349 1 201 . 2 1 37 37 ASN CB C 13 42.5 0.3 . 1 . . . . . . . . 4349 1 202 . 2 1 37 37 ASN N N 15 121.0 0.3 . 1 . . . . . . . . 4349 1 203 . 2 1 38 38 TYR H H 1 8.63 0.04 . 1 . . . . . . . . 4349 1 204 . 2 1 38 38 TYR HA H 1 4.57 0.04 . 1 . . . . . . . . 4349 1 205 . 2 1 38 38 TYR C C 13 173.2 0.5 . 1 . . . . . . . . 4349 1 206 . 2 1 38 38 TYR CA C 13 57.9 0.3 . 1 . . . . . . . . 4349 1 207 . 2 1 38 38 TYR CB C 13 36.5 0.3 . 1 . . . . . . . . 4349 1 208 . 2 1 38 38 TYR N N 15 127.0 0.3 . 1 . . . . . . . . 4349 1 209 . 2 1 39 39 LEU H H 1 7.04 0.04 . 1 . . . . . . . . 4349 1 210 . 2 1 39 39 LEU HA H 1 4.65 0.04 . 1 . . . . . . . . 4349 1 211 . 2 1 39 39 LEU CA C 13 52.7 0.3 . 1 . . . . . . . . 4349 1 212 . 2 1 39 39 LEU CB C 13 44.3 0.3 . 1 . . . . . . . . 4349 1 213 . 2 1 39 39 LEU N N 15 127.7 0.3 . 1 . . . . . . . . 4349 1 214 . 2 1 40 40 ALA H H 1 8.81 0.04 . 1 . . . . . . . . 4349 1 215 . 2 1 40 40 ALA C C 13 175.8 0.5 . 1 . . . . . . . . 4349 1 216 . 2 1 40 40 ALA CA C 13 49.8 0.3 . 1 . . . . . . . . 4349 1 217 . 2 1 40 40 ALA CB C 13 23.1 0.3 . 1 . . . . . . . . 4349 1 218 . 2 1 40 40 ALA N N 15 128.7 0.3 . 1 . . . . . . . . 4349 1 219 . 2 1 41 41 TRP H H 1 8.70 0.04 . 1 . . . . . . . . 4349 1 220 . 2 1 41 41 TRP HA H 1 5.51 0.04 . 1 . . . . . . . . 4349 1 221 . 2 1 41 41 TRP C C 13 176.1 0.5 . 1 . . . . . . . . 4349 1 222 . 2 1 41 41 TRP CA C 13 56.0 0.3 . 1 . . . . . . . . 4349 1 223 . 2 1 41 41 TRP CB C 13 34.0 0.3 . 1 . . . . . . . . 4349 1 224 . 2 1 41 41 TRP N N 15 116.9 0.3 . 1 . . . . . . . . 4349 1 225 . 2 1 42 42 TYR H H 1 9.94 0.04 . 1 . . . . . . . . 4349 1 226 . 2 1 42 42 TYR HA H 1 5.38 0.04 . 1 . . . . . . . . 4349 1 227 . 2 1 42 42 TYR C C 13 174.1 0.5 . 1 . . . . . . . . 4349 1 228 . 2 1 42 42 TYR CA C 13 56.0 0.3 . 1 . . . . . . . . 4349 1 229 . 2 1 42 42 TYR CB C 13 42.8 0.3 . 1 . . . . . . . . 4349 1 230 . 2 1 42 42 TYR N N 15 118.6 0.3 . 1 . . . . . . . . 4349 1 231 . 2 1 43 43 GLN H H 1 9.03 0.04 . 1 . . . . . . . . 4349 1 232 . 2 1 43 43 GLN HA H 1 4.41 0.04 . 1 . . . . . . . . 4349 1 233 . 2 1 43 43 GLN CA C 13 53.2 0.3 . 1 . . . . . . . . 4349 1 234 . 2 1 43 43 GLN CB C 13 34.0 0.3 . 1 . . . . . . . . 4349 1 235 . 2 1 43 43 GLN N N 15 122.1 0.3 . 1 . . . . . . . . 4349 1 236 . 2 1 46 46 PRO C C 13 178.5 0.5 . 1 . . . . . . . . 4349 1 237 . 2 1 46 46 PRO CB C 13 30.9 0.3 . 1 . . . . . . . . 4349 1 238 . 2 1 47 47 GLY H H 1 8.70 0.04 . 1 . . . . . . . . 4349 1 239 . 2 1 47 47 GLY HA2 H 1 4.71 0.04 . 1 . . . . . . . . 4349 1 240 . 2 1 47 47 GLY HA3 H 1 4.71 0.04 . 1 . . . . . . . . 4349 1 241 . 2 1 47 47 GLY C C 13 174.0 0.5 . 1 . . . . . . . . 4349 1 242 . 2 1 47 47 GLY CA C 13 45.4 0.3 . 1 . . . . . . . . 4349 1 243 . 2 1 47 47 GLY N N 15 113.5 0.3 . 1 . . . . . . . . 4349 1 244 . 2 1 48 48 GLN H H 1 7.85 0.04 . 1 . . . . . . . . 4349 1 245 . 2 1 48 48 GLN HA H 1 4.79 0.04 . 1 . . . . . . . . 4349 1 246 . 2 1 48 48 GLN CA C 13 53.5 0.3 . 1 . . . . . . . . 4349 1 247 . 2 1 48 48 GLN CB C 13 31.2 0.3 . 1 . . . . . . . . 4349 1 248 . 2 1 48 48 GLN N N 15 119.0 0.3 . 1 . . . . . . . . 4349 1 249 . 2 1 49 49 SER H H 1 8.49 0.04 . 1 . . . . . . . . 4349 1 250 . 2 1 49 49 SER HA H 1 4.34 0.04 . 1 . . . . . . . . 4349 1 251 . 2 1 49 49 SER CA C 13 57.2 0.3 . 1 . . . . . . . . 4349 1 252 . 2 1 49 49 SER CB C 13 61.7 0.3 . 1 . . . . . . . . 4349 1 253 . 2 1 49 49 SER N N 15 117.1 0.3 . 1 . . . . . . . . 4349 1 254 . 2 1 52 52 LEU C C 13 175.5 0.5 . 1 . . . . . . . . 4349 1 255 . 2 1 53 53 LEU H H 1 9.25 0.04 . 1 . . . . . . . . 4349 1 256 . 2 1 53 53 LEU HA H 1 4.69 0.04 . 1 . . . . . . . . 4349 1 257 . 2 1 53 53 LEU C C 13 176.4 0.5 . 1 . . . . . . . . 4349 1 258 . 2 1 53 53 LEU CA C 13 54.6 0.3 . 1 . . . . . . . . 4349 1 259 . 2 1 53 53 LEU CB C 13 45.4 0.3 . 1 . . . . . . . . 4349 1 260 . 2 1 53 53 LEU N N 15 124.8 0.3 . 1 . . . . . . . . 4349 1 261 . 2 1 54 54 VAL H H 1 7.26 0.04 . 1 . . . . . . . . 4349 1 262 . 2 1 54 54 VAL HA H 1 5.03 0.04 . 1 . . . . . . . . 4349 1 263 . 2 1 54 54 VAL C C 13 173.2 0.5 . 1 . . . . . . . . 4349 1 264 . 2 1 54 54 VAL CA C 13 59.3 0.3 . 1 . . . . . . . . 4349 1 265 . 2 1 54 54 VAL CB C 13 37.2 0.3 . 1 . . . . . . . . 4349 1 266 . 2 1 54 54 VAL N N 15 117.0 0.3 . 1 . . . . . . . . 4349 1 267 . 2 1 55 55 TYR H H 1 9.53 0.04 . 1 . . . . . . . . 4349 1 268 . 2 1 55 55 TYR HA H 1 5.26 0.04 . 1 . . . . . . . . 4349 1 269 . 2 1 55 55 TYR C C 13 180.5 0.5 . 1 . . . . . . . . 4349 1 270 . 2 1 55 55 TYR CA C 13 54.9 0.3 . 1 . . . . . . . . 4349 1 271 . 2 1 55 55 TYR CB C 13 40.6 0.3 . 1 . . . . . . . . 4349 1 272 . 2 1 55 55 TYR N N 15 124.0 0.3 . 1 . . . . . . . . 4349 1 273 . 2 1 56 56 PHE H H 1 7.67 0.04 . 1 . . . . . . . . 4349 1 274 . 2 1 56 56 PHE HA H 1 5.15 0.04 . 1 . . . . . . . . 4349 1 275 . 2 1 56 56 PHE C C 13 178.8 0.5 . 1 . . . . . . . . 4349 1 276 . 2 1 56 56 PHE CA C 13 59.7 0.3 . 1 . . . . . . . . 4349 1 277 . 2 1 56 56 PHE CB C 13 36.6 0.3 . 1 . . . . . . . . 4349 1 278 . 2 1 56 56 PHE N N 15 116.5 0.3 . 1 . . . . . . . . 4349 1 279 . 2 1 57 57 ALA H H 1 8.75 0.04 . 1 . . . . . . . . 4349 1 280 . 2 1 57 57 ALA C C 13 178.8 0.5 . 1 . . . . . . . . 4349 1 281 . 2 1 57 57 ALA CA C 13 57.5 0.3 . 1 . . . . . . . . 4349 1 282 . 2 1 57 57 ALA CB C 13 20.0 0.3 . 1 . . . . . . . . 4349 1 283 . 2 1 57 57 ALA N N 15 112.6 0.3 . 1 . . . . . . . . 4349 1 284 . 2 1 58 58 SER H H 1 8.75 0.04 . 1 . . . . . . . . 4349 1 285 . 2 1 58 58 SER C C 13 175.3 0.5 . 1 . . . . . . . . 4349 1 286 . 2 1 58 58 SER CA C 13 57.6 0.3 . 1 . . . . . . . . 4349 1 287 . 2 1 58 58 SER CB C 13 65.7 0.3 . 1 . . . . . . . . 4349 1 288 . 2 1 58 58 SER N N 15 112.6 0.3 . 1 . . . . . . . . 4349 1 289 . 2 1 59 59 THR H H 1 8.73 0.04 . 1 . . . . . . . . 4349 1 290 . 2 1 59 59 THR HA H 1 4.21 0.04 . 1 . . . . . . . . 4349 1 291 . 2 1 59 59 THR CA C 13 62.9 0.3 . 1 . . . . . . . . 4349 1 292 . 2 1 59 59 THR CB C 13 68.5 0.3 . 1 . . . . . . . . 4349 1 293 . 2 1 59 59 THR N N 15 123.7 0.3 . 1 . . . . . . . . 4349 1 294 . 2 1 60 60 ARG H H 1 8.81 0.04 . 1 . . . . . . . . 4349 1 295 . 2 1 60 60 ARG HA H 1 4.48 0.04 . 1 . . . . . . . . 4349 1 296 . 2 1 60 60 ARG C C 13 176.8 0.5 . 1 . . . . . . . . 4349 1 297 . 2 1 60 60 ARG CA C 13 57.0 0.3 . 1 . . . . . . . . 4349 1 298 . 2 1 60 60 ARG CB C 13 30.8 0.3 . 1 . . . . . . . . 4349 1 299 . 2 1 60 60 ARG N N 15 128.7 0.3 . 1 . . . . . . . . 4349 1 300 . 2 1 61 61 GLU H H 1 8.05 0.04 . 1 . . . . . . . . 4349 1 301 . 2 1 61 61 GLU HA H 1 4.83 0.04 . 1 . . . . . . . . 4349 1 302 . 2 1 61 61 GLU C C 13 175.8 0.5 . 1 . . . . . . . . 4349 1 303 . 2 1 61 61 GLU CA C 13 55.4 0.3 . 1 . . . . . . . . 4349 1 304 . 2 1 61 61 GLU CB C 13 30.5 0.3 . 1 . . . . . . . . 4349 1 305 . 2 1 61 61 GLU N N 15 126.3 0.3 . 1 . . . . . . . . 4349 1 306 . 2 1 62 62 SER H H 1 9.99 0.04 . 1 . . . . . . . . 4349 1 307 . 2 1 62 62 SER C C 13 175.9 0.5 . 1 . . . . . . . . 4349 1 308 . 2 1 62 62 SER CA C 13 59.9 0.3 . 1 . . . . . . . . 4349 1 309 . 2 1 62 62 SER CB C 13 63.2 0.3 . 1 . . . . . . . . 4349 1 310 . 2 1 62 62 SER N N 15 124.4 0.3 . 1 . . . . . . . . 4349 1 311 . 2 1 63 63 GLY H H 1 8.84 0.04 . 1 . . . . . . . . 4349 1 312 . 2 1 63 63 GLY HA2 H 1 4.71 0.04 . 1 . . . . . . . . 4349 1 313 . 2 1 63 63 GLY HA3 H 1 4.71 0.04 . 1 . . . . . . . . 4349 1 314 . 2 1 63 63 GLY C C 13 174.4 0.5 . 1 . . . . . . . . 4349 1 315 . 2 1 63 63 GLY CA C 13 45.2 0.3 . 1 . . . . . . . . 4349 1 316 . 2 1 63 63 GLY N N 15 113.9 0.3 . 1 . . . . . . . . 4349 1 317 . 2 1 64 64 VAL H H 1 7.50 0.04 . 1 . . . . . . . . 4349 1 318 . 2 1 64 64 VAL HA H 1 4.28 0.04 . 1 . . . . . . . . 4349 1 319 . 2 1 64 64 VAL CA C 13 60.2 0.3 . 1 . . . . . . . . 4349 1 320 . 2 1 64 64 VAL CB C 13 32.4 0.3 . 1 . . . . . . . . 4349 1 321 . 2 1 64 64 VAL N N 15 125.2 0.3 . 1 . . . . . . . . 4349 1 322 . 2 1 65 65 PRO CB C 13 33.1 0.3 . 1 . . . . . . . . 4349 1 323 . 2 1 66 66 ASP H H 1 8.41 0.04 . 1 . . . . . . . . 4349 1 324 . 2 1 66 66 ASP HA H 1 4.08 0.04 . 1 . . . . . . . . 4349 1 325 . 2 1 66 66 ASP C C 13 176.2 0.5 . 1 . . . . . . . . 4349 1 326 . 2 1 66 66 ASP CA C 13 55.7 0.3 . 1 . . . . . . . . 4349 1 327 . 2 1 66 66 ASP CB C 13 39.5 0.3 . 1 . . . . . . . . 4349 1 328 . 2 1 66 66 ASP N N 15 119.5 0.3 . 1 . . . . . . . . 4349 1 329 . 2 1 67 67 ARG H H 1 7.04 0.04 . 1 . . . . . . . . 4349 1 330 . 2 1 67 67 ARG HA H 1 4.22 0.04 . 1 . . . . . . . . 4349 1 331 . 2 1 67 67 ARG C C 13 174.8 0.5 . 1 . . . . . . . . 4349 1 332 . 2 1 67 67 ARG CA C 13 56.0 0.3 . 1 . . . . . . . . 4349 1 333 . 2 1 67 67 ARG CB C 13 28.7 0.3 . 1 . . . . . . . . 4349 1 334 . 2 1 67 67 ARG N N 15 113.6 0.3 . 1 . . . . . . . . 4349 1 335 . 2 1 68 68 PHE H H 1 7.43 0.04 . 1 . . . . . . . . 4349 1 336 . 2 1 68 68 PHE HA H 1 4.66 0.04 . 1 . . . . . . . . 4349 1 337 . 2 1 68 68 PHE C C 13 175.0 0.5 . 1 . . . . . . . . 4349 1 338 . 2 1 68 68 PHE CA C 13 58.2 0.3 . 1 . . . . . . . . 4349 1 339 . 2 1 68 68 PHE CB C 13 38.9 0.3 . 1 . . . . . . . . 4349 1 340 . 2 1 68 68 PHE N N 15 118.4 0.3 . 1 . . . . . . . . 4349 1 341 . 2 1 69 69 ILE H H 1 9.06 0.04 . 1 . . . . . . . . 4349 1 342 . 2 1 69 69 ILE HA H 1 4.20 0.04 . 1 . . . . . . . . 4349 1 343 . 2 1 69 69 ILE C C 13 176.9 0.5 . 1 . . . . . . . . 4349 1 344 . 2 1 69 69 ILE CA C 13 60.4 0.3 . 1 . . . . . . . . 4349 1 345 . 2 1 69 69 ILE CB C 13 41.5 0.3 . 1 . . . . . . . . 4349 1 346 . 2 1 69 69 ILE N N 15 123.3 0.3 . 1 . . . . . . . . 4349 1 347 . 2 1 70 70 GLY H H 1 9.473 0.5 . 1 . . . . . . . . 4349 1 348 . 2 1 70 70 GLY HA2 H 1 5.05 0.04 . 2 . . . . . . . . 4349 1 349 . 2 1 70 70 GLY HA3 H 1 3.70 0.04 . 2 . . . . . . . . 4349 1 350 . 2 1 70 70 GLY CA C 13 44.1 0.3 . 1 . . . . . . . . 4349 1 351 . 2 1 70 70 GLY N N 15 120.0 0.3 . 1 . . . . . . . . 4349 1 352 . 2 1 71 71 SER H H 1 9.37 0.04 . 1 . . . . . . . . 4349 1 353 . 2 1 71 71 SER HA H 1 4.85 0.04 . 1 . . . . . . . . 4349 1 354 . 2 1 71 71 SER C C 13 174.2 0.5 . 1 . . . . . . . . 4349 1 355 . 2 1 71 71 SER CA C 13 57.1 0.3 . 1 . . . . . . . . 4349 1 356 . 2 1 71 71 SER CB C 13 65.7 0.3 . 1 . . . . . . . . 4349 1 357 . 2 1 71 71 SER N N 15 118.3 0.3 . 1 . . . . . . . . 4349 1 358 . 2 1 72 72 GLY H H 1 8.41 0.04 . 1 . . . . . . . . 4349 1 359 . 2 1 72 72 GLY HA2 H 1 5.10 0.04 . 2 . . . . . . . . 4349 1 360 . 2 1 72 72 GLY HA3 H 1 3.65 0.04 . 2 . . . . . . . . 4349 1 361 . 2 1 72 72 GLY C C 13 172.1 0.5 . 1 . . . . . . . . 4349 1 362 . 2 1 72 72 GLY CA C 13 44.3 0.3 . 1 . . . . . . . . 4349 1 363 . 2 1 72 72 GLY N N 15 111.5 0.3 . 1 . . . . . . . . 4349 1 364 . 2 1 73 73 SER H H 1 6.98 0.04 . 1 . . . . . . . . 4349 1 365 . 2 1 73 73 SER HA H 1 4.22 0.04 . 1 . . . . . . . . 4349 1 366 . 2 1 73 73 SER C C 13 174.4 0.5 . 1 . . . . . . . . 4349 1 367 . 2 1 73 73 SER CA C 13 57.1 0.3 . 1 . . . . . . . . 4349 1 368 . 2 1 73 73 SER CB C 13 64.1 0.3 . 1 . . . . . . . . 4349 1 369 . 2 1 73 73 SER N N 15 109.0 0.3 . 1 . . . . . . . . 4349 1 370 . 2 1 74 74 GLY H H 1 8.81 0.04 . 1 . . . . . . . . 4349 1 371 . 2 1 74 74 GLY HA2 H 1 4.14 0.04 . 1 . . . . . . . . 4349 1 372 . 2 1 74 74 GLY HA3 H 1 4.14 0.04 . 1 . . . . . . . . 4349 1 373 . 2 1 74 74 GLY C C 13 172.1 0.5 . 1 . . . . . . . . 4349 1 374 . 2 1 74 74 GLY CA C 13 48.0 0.3 . 1 . . . . . . . . 4349 1 375 . 2 1 74 74 GLY N N 15 113.2 0.3 . 1 . . . . . . . . 4349 1 376 . 2 1 75 75 THR H H 1 8.15 0.04 . 1 . . . . . . . . 4349 1 377 . 2 1 75 75 THR HA H 1 4.20 0.04 . 1 . . . . . . . . 4349 1 378 . 2 1 75 75 THR C C 13 173.9 0.5 . 1 . . . . . . . . 4349 1 379 . 2 1 75 75 THR CA C 13 60.8 0.3 . 1 . . . . . . . . 4349 1 380 . 2 1 75 75 THR CB C 13 70.8 0.3 . 1 . . . . . . . . 4349 1 381 . 2 1 75 75 THR N N 15 116.7 0.3 . 1 . . . . . . . . 4349 1 382 . 2 1 76 76 ASP H H 1 6.79 0.04 . 1 . . . . . . . . 4349 1 383 . 2 1 76 76 ASP HA H 1 5.04 0.04 . 1 . . . . . . . . 4349 1 384 . 2 1 76 76 ASP C C 13 173.4 0.5 . 1 . . . . . . . . 4349 1 385 . 2 1 76 76 ASP CA C 13 54.0 0.3 . 1 . . . . . . . . 4349 1 386 . 2 1 76 76 ASP CB C 13 42.5 0.3 . 1 . . . . . . . . 4349 1 387 . 2 1 76 76 ASP N N 15 122.0 0.3 . 1 . . . . . . . . 4349 1 388 . 2 1 77 77 PHE H H 1 8.52 0.04 . 1 . . . . . . . . 4349 1 389 . 2 1 77 77 PHE HA H 1 5.19 0.04 . 1 . . . . . . . . 4349 1 390 . 2 1 77 77 PHE C C 13 176.2 0.5 . 1 . . . . . . . . 4349 1 391 . 2 1 77 77 PHE CA C 13 57.3 0.3 . 1 . . . . . . . . 4349 1 392 . 2 1 77 77 PHE CB C 13 41.5 0.3 . 1 . . . . . . . . 4349 1 393 . 2 1 77 77 PHE N N 15 122.4 0.3 . 1 . . . . . . . . 4349 1 394 . 2 1 78 78 THR H H 1 8.92 0.04 . 1 . . . . . . . . 4349 1 395 . 2 1 78 78 THR HA H 1 5.50 0.04 . 1 . . . . . . . . 4349 1 396 . 2 1 78 78 THR C C 13 171.9 0.5 . 1 . . . . . . . . 4349 1 397 . 2 1 78 78 THR CA C 13 60.7 0.3 . 1 . . . . . . . . 4349 1 398 . 2 1 78 78 THR CB C 13 72.8 0.3 . 1 . . . . . . . . 4349 1 399 . 2 1 78 78 THR N N 15 117.2 0.3 . 1 . . . . . . . . 4349 1 400 . 2 1 79 79 LEU H H 1 8.27 0.04 . 1 . . . . . . . . 4349 1 401 . 2 1 79 79 LEU HA H 1 4.39 0.04 . 1 . . . . . . . . 4349 1 402 . 2 1 79 79 LEU CA C 13 53.2 0.3 . 1 . . . . . . . . 4349 1 403 . 2 1 79 79 LEU CB C 13 39.7 0.3 . 1 . . . . . . . . 4349 1 404 . 2 1 79 79 LEU N N 15 126.7 0.3 . 1 . . . . . . . . 4349 1 405 . 2 1 80 80 THR H H 1 8.72 0.04 . 1 . . . . . . . . 4349 1 406 . 2 1 80 80 THR HA H 1 5.13 0.04 . 1 . . . . . . . . 4349 1 407 . 2 1 80 80 THR CA C 13 60.2 0.3 . 1 . . . . . . . . 4349 1 408 . 2 1 80 80 THR CB C 13 70.5 0.3 . 1 . . . . . . . . 4349 1 409 . 2 1 80 80 THR N N 15 124.9 0.3 . 1 . . . . . . . . 4349 1 410 . 2 1 81 81 ILE H H 1 8.72 0.04 . 1 . . . . . . . . 4349 1 411 . 2 1 81 81 ILE HA H 1 4.54 0.04 . 1 . . . . . . . . 4349 1 412 . 2 1 81 81 ILE C C 13 177.1 0.5 . 1 . . . . . . . . 4349 1 413 . 2 1 81 81 ILE CA C 13 59.4 0.3 . 1 . . . . . . . . 4349 1 414 . 2 1 81 81 ILE CB C 13 37.4 0.3 . 1 . . . . . . . . 4349 1 415 . 2 1 81 81 ILE N N 15 124.9 0.3 . 1 . . . . . . . . 4349 1 416 . 2 1 82 82 SER H H 1 9.24 0.04 . 1 . . . . . . . . 4349 1 417 . 2 1 82 82 SER HA H 1 3.63 0.04 . 1 . . . . . . . . 4349 1 418 . 2 1 82 82 SER C C 13 174.0 0.5 . 1 . . . . . . . . 4349 1 419 . 2 1 82 82 SER CA C 13 61.1 0.3 . 1 . . . . . . . . 4349 1 420 . 2 1 82 82 SER CB C 13 62.2 0.3 . 1 . . . . . . . . 4349 1 421 . 2 1 82 82 SER N N 15 123.3 0.3 . 1 . . . . . . . . 4349 1 422 . 2 1 83 83 SER H H 1 6.00 0.04 . 1 . . . . . . . . 4349 1 423 . 2 1 83 83 SER HA H 1 3.81 0.04 . 1 . . . . . . . . 4349 1 424 . 2 1 83 83 SER C C 13 174.2 0.5 . 1 . . . . . . . . 4349 1 425 . 2 1 83 83 SER CA C 13 56.3 0.3 . 1 . . . . . . . . 4349 1 426 . 2 1 83 83 SER CB C 13 62.4 0.3 . 1 . . . . . . . . 4349 1 427 . 2 1 83 83 SER N N 15 113.6 0.3 . 1 . . . . . . . . 4349 1 428 . 2 1 84 84 VAL H H 1 8.70 0.04 . 1 . . . . . . . . 4349 1 429 . 2 1 84 84 VAL HA H 1 3.84 0.04 . 1 . . . . . . . . 4349 1 430 . 2 1 84 84 VAL C C 13 174.2 0.5 . 1 . . . . . . . . 4349 1 431 . 2 1 84 84 VAL CA C 13 62.6 0.3 . 1 . . . . . . . . 4349 1 432 . 2 1 84 84 VAL CB C 13 32.2 0.3 . 1 . . . . . . . . 4349 1 433 . 2 1 84 84 VAL N N 15 126.9 0.3 . 1 . . . . . . . . 4349 1 434 . 2 1 85 85 GLN H H 1 8.90 0.04 . 1 . . . . . . . . 4349 1 435 . 2 1 85 85 GLN HA H 1 4.65 0.04 . 1 . . . . . . . . 4349 1 436 . 2 1 85 85 GLN C C 13 176.7 0.5 . 1 . . . . . . . . 4349 1 437 . 2 1 85 85 GLN CA C 13 52.9 0.3 . 1 . . . . . . . . 4349 1 438 . 2 1 85 85 GLN CB C 13 30.9 0.3 . 1 . . . . . . . . 4349 1 439 . 2 1 85 85 GLN N N 15 125.6 0.3 . 1 . . . . . . . . 4349 1 440 . 2 1 86 86 ALA H H 1 9.18 0.04 . 1 . . . . . . . . 4349 1 441 . 2 1 86 86 ALA HA H 1 3.81 0.04 . 1 . . . . . . . . 4349 1 442 . 2 1 86 86 ALA C C 13 180.3 0.5 . 1 . . . . . . . . 4349 1 443 . 2 1 86 86 ALA CA C 13 55.8 0.3 . 1 . . . . . . . . 4349 1 444 . 2 1 86 86 ALA CB C 13 16.9 0.3 . 1 . . . . . . . . 4349 1 445 . 2 1 86 86 ALA N N 15 125.8 0.3 . 1 . . . . . . . . 4349 1 446 . 2 1 87 87 GLU H H 1 8.73 0.04 . 1 . . . . . . . . 4349 1 447 . 2 1 87 87 GLU HA H 1 4.72 0.04 . 1 . . . . . . . . 4349 1 448 . 2 1 87 87 GLU C C 13 175.6 0.5 . 1 . . . . . . . . 4349 1 449 . 2 1 87 87 GLU CA C 13 57.1 0.3 . 1 . . . . . . . . 4349 1 450 . 2 1 87 87 GLU CB C 13 28.1 0.3 . 1 . . . . . . . . 4349 1 451 . 2 1 87 87 GLU N N 15 114.0 0.3 . 1 . . . . . . . . 4349 1 452 . 2 1 88 88 ASP H H 1 8.03 0.04 . 1 . . . . . . . . 4349 1 453 . 2 1 88 88 ASP HA H 1 4.55 0.04 . 1 . . . . . . . . 4349 1 454 . 2 1 88 88 ASP C C 13 177.0 0.5 . 1 . . . . . . . . 4349 1 455 . 2 1 88 88 ASP CA C 13 54.2 0.3 . 1 . . . . . . . . 4349 1 456 . 2 1 88 88 ASP CB C 13 39.7 0.3 . 1 . . . . . . . . 4349 1 457 . 2 1 88 88 ASP N N 15 120.5 0.3 . 1 . . . . . . . . 4349 1 458 . 2 1 89 89 GLN H H 1 7.20 0.04 . 1 . . . . . . . . 4349 1 459 . 2 1 89 89 GLN HA H 1 4.07 0.04 . 1 . . . . . . . . 4349 1 460 . 2 1 89 89 GLN C C 13 174.0 0.5 . 1 . . . . . . . . 4349 1 461 . 2 1 89 89 GLN CA C 13 58.0 0.3 . 1 . . . . . . . . 4349 1 462 . 2 1 89 89 GLN CB C 13 28.1 0.3 . 1 . . . . . . . . 4349 1 463 . 2 1 89 89 GLN N N 15 122.9 0.3 . 1 . . . . . . . . 4349 1 464 . 2 1 90 90 ALA H H 1 8.24 0.04 . 1 . . . . . . . . 4349 1 465 . 2 1 90 90 ALA HA H 1 4.33 0.04 . 1 . . . . . . . . 4349 1 466 . 2 1 90 90 ALA C C 13 174.4 0.5 . 1 . . . . . . . . 4349 1 467 . 2 1 90 90 ALA CA C 13 51.8 0.3 . 1 . . . . . . . . 4349 1 468 . 2 1 90 90 ALA CB C 13 20.0 0.3 . 1 . . . . . . . . 4349 1 469 . 2 1 90 90 ALA N N 15 128.7 0.3 . 1 . . . . . . . . 4349 1 470 . 2 1 91 91 ASP H H 1 7.77 0.04 . 1 . . . . . . . . 4349 1 471 . 2 1 91 91 ASP HA H 1 5.43 0.04 . 1 . . . . . . . . 4349 1 472 . 2 1 91 91 ASP C C 13 175.1 0.5 . 1 . . . . . . . . 4349 1 473 . 2 1 91 91 ASP CA C 13 53.5 0.3 . 1 . . . . . . . . 4349 1 474 . 2 1 91 91 ASP CB C 13 43.2 0.3 . 1 . . . . . . . . 4349 1 475 . 2 1 91 91 ASP N N 15 118.0 0.3 . 1 . . . . . . . . 4349 1 476 . 2 1 92 92 TYR H H 1 8.82 0.04 . 1 . . . . . . . . 4349 1 477 . 2 1 92 92 TYR HA H 1 5.39 0.04 . 1 . . . . . . . . 4349 1 478 . 2 1 92 92 TYR C C 13 176.7 0.5 . 1 . . . . . . . . 4349 1 479 . 2 1 92 92 TYR CA C 13 56.4 0.3 . 1 . . . . . . . . 4349 1 480 . 2 1 92 92 TYR CB C 13 41.9 0.3 . 1 . . . . . . . . 4349 1 481 . 2 1 92 92 TYR N N 15 119.7 0.3 . 1 . . . . . . . . 4349 1 482 . 2 1 93 93 PHE H H 1 9.06 0.04 . 1 . . . . . . . . 4349 1 483 . 2 1 93 93 PHE HA H 1 5.70 0.04 . 1 . . . . . . . . 4349 1 484 . 2 1 93 93 PHE C C 13 175.0 0.5 . 1 . . . . . . . . 4349 1 485 . 2 1 93 93 PHE CA C 13 56.8 0.3 . 1 . . . . . . . . 4349 1 486 . 2 1 93 93 PHE CB C 13 44.0 0.3 . 1 . . . . . . . . 4349 1 487 . 2 1 93 93 PHE N N 15 119.7 0.3 . 1 . . . . . . . . 4349 1 488 . 2 1 94 94 CYS H H 1 7.49 0.04 . 1 . . . . . . . . 4349 1 489 . 2 1 94 94 CYS HA H 1 5.85 0.04 . 1 . . . . . . . . 4349 1 490 . 2 1 94 94 CYS C C 13 172.6 0.5 . 1 . . . . . . . . 4349 1 491 . 2 1 94 94 CYS CA C 13 52.5 0.3 . 1 . . . . . . . . 4349 1 492 . 2 1 94 94 CYS CB C 13 45.0 0.3 . 1 . . . . . . . . 4349 1 493 . 2 1 94 94 CYS N N 15 115.6 0.3 . 1 . . . . . . . . 4349 1 494 . 2 1 95 95 GLN H H 1 8.70 0.04 . 1 . . . . . . . . 4349 1 495 . 2 1 95 95 GLN HA H 1 4.67 0.04 . 1 . . . . . . . . 4349 1 496 . 2 1 95 95 GLN C C 13 173.7 0.5 . 1 . . . . . . . . 4349 1 497 . 2 1 95 95 GLN CA C 13 54.2 0.3 . 1 . . . . . . . . 4349 1 498 . 2 1 95 95 GLN CB C 13 33.6 0.3 . 1 . . . . . . . . 4349 1 499 . 2 1 95 95 GLN N N 15 121.8 0.3 . 1 . . . . . . . . 4349 1 500 . 2 1 96 96 GLN H H 1 8.12 0.04 . 1 . . . . . . . . 4349 1 501 . 2 1 96 96 GLN HA H 1 4.87 0.04 . 1 . . . . . . . . 4349 1 502 . 2 1 96 96 GLN C C 13 173.2 0.5 . 1 . . . . . . . . 4349 1 503 . 2 1 96 96 GLN CA C 13 52.4 0.3 . 1 . . . . . . . . 4349 1 504 . 2 1 96 96 GLN CB C 13 28.4 0.3 . 1 . . . . . . . . 4349 1 505 . 2 1 96 96 GLN N N 15 125.3 0.3 . 1 . . . . . . . . 4349 1 506 . 2 1 97 97 HIS H H 1 7.58 0.04 . 1 . . . . . . . . 4349 1 507 . 2 1 97 97 HIS HA H 1 3.57 0.04 . 1 . . . . . . . . 4349 1 508 . 2 1 97 97 HIS C C 13 173.1 0.5 . 1 . . . . . . . . 4349 1 509 . 2 1 97 97 HIS CA C 13 54.8 0.3 . 1 . . . . . . . . 4349 1 510 . 2 1 97 97 HIS CB C 13 32.6 0.3 . 1 . . . . . . . . 4349 1 511 . 2 1 97 97 HIS N N 15 118.1 0.3 . 1 . . . . . . . . 4349 1 512 . 2 1 98 98 TYR H H 1 8.96 0.04 . 1 . . . . . . . . 4349 1 513 . 2 1 98 98 TYR HA H 1 3.97 0.04 . 1 . . . . . . . . 4349 1 514 . 2 1 98 98 TYR C C 13 175.9 0.5 . 1 . . . . . . . . 4349 1 515 . 2 1 98 98 TYR CA C 13 59.7 0.3 . 1 . . . . . . . . 4349 1 516 . 2 1 98 98 TYR CB C 13 42.0 0.3 . 1 . . . . . . . . 4349 1 517 . 2 1 98 98 TYR N N 15 124.9 0.3 . 1 . . . . . . . . 4349 1 518 . 2 1 99 99 ARG H H 1 8.33 0.04 . 1 . . . . . . . . 4349 1 519 . 2 1 99 99 ARG HA H 1 4.25 0.04 . 1 . . . . . . . . 4349 1 520 . 2 1 99 99 ARG C C 13 173.5 0.5 . 1 . . . . . . . . 4349 1 521 . 2 1 99 99 ARG CA C 13 53.6 0.3 . 1 . . . . . . . . 4349 1 522 . 2 1 99 99 ARG CB C 13 33.5 0.3 . 1 . . . . . . . . 4349 1 523 . 2 1 99 99 ARG N N 15 117.4 0.3 . 1 . . . . . . . . 4349 1 524 . 2 1 100 100 ALA H H 1 8.52 0.04 . 1 . . . . . . . . 4349 1 525 . 2 1 100 100 ALA HA H 1 4.72 0.04 . 1 . . . . . . . . 4349 1 526 . 2 1 100 100 ALA CA C 13 50.1 0.3 . 1 . . . . . . . . 4349 1 527 . 2 1 100 100 ALA CB C 13 17.9 0.3 . 1 . . . . . . . . 4349 1 528 . 2 1 100 100 ALA N N 15 124.1 0.3 . 1 . . . . . . . . 4349 1 529 . 2 1 102 102 ARG C C 13 173.3 0.5 . 1 . . . . . . . . 4349 1 530 . 2 1 102 102 ARG CB C 13 25.6 0.3 . 1 . . . . . . . . 4349 1 531 . 2 1 103 103 THR H H 1 7.29 0.04 . 1 . . . . . . . . 4349 1 532 . 2 1 103 103 THR HA H 1 4.02 0.04 . 1 . . . . . . . . 4349 1 533 . 2 1 103 103 THR CA C 13 61.6 0.3 . 1 . . . . . . . . 4349 1 534 . 2 1 103 103 THR CB C 13 70.8 0.3 . 1 . . . . . . . . 4349 1 535 . 2 1 103 103 THR N N 15 112.5 0.3 . 1 . . . . . . . . 4349 1 536 . 2 1 104 104 PHE H H 1 8.68 0.04 . 1 . . . . . . . . 4349 1 537 . 2 1 104 104 PHE HA H 1 5.11 0.04 . 1 . . . . . . . . 4349 1 538 . 2 1 104 104 PHE C C 13 179.0 0.5 . 1 . . . . . . . . 4349 1 539 . 2 1 104 104 PHE CA C 13 56.6 0.3 . 1 . . . . . . . . 4349 1 540 . 2 1 104 104 PHE CB C 13 42.2 0.3 . 1 . . . . . . . . 4349 1 541 . 2 1 104 104 PHE N N 15 118.2 0.3 . 1 . . . . . . . . 4349 1 542 . 2 1 105 105 GLY H H 1 8.97 0.04 . 1 . . . . . . . . 4349 1 543 . 2 1 105 105 GLY HA2 H 1 4.17 0.04 . 1 . . . . . . . . 4349 1 544 . 2 1 105 105 GLY HA3 H 1 4.17 0.04 . 1 . . . . . . . . 4349 1 545 . 2 1 105 105 GLY C C 13 173.9 0.5 . 1 . . . . . . . . 4349 1 546 . 2 1 105 105 GLY CA C 13 44.4 0.3 . 1 . . . . . . . . 4349 1 547 . 2 1 105 105 GLY N N 15 107.7 0.3 . 1 . . . . . . . . 4349 1 548 . 2 1 106 106 GLY H H 1 8.35 0.04 . 1 . . . . . . . . 4349 1 549 . 2 1 106 106 GLY HA2 H 1 4.34 0.04 . 1 . . . . . . . . 4349 1 550 . 2 1 106 106 GLY HA3 H 1 4.34 0.04 . 1 . . . . . . . . 4349 1 551 . 2 1 106 106 GLY C C 13 175.7 0.5 . 1 . . . . . . . . 4349 1 552 . 2 1 106 106 GLY CA C 13 45.8 0.3 . 1 . . . . . . . . 4349 1 553 . 2 1 106 106 GLY N N 15 104.2 0.3 . 1 . . . . . . . . 4349 1 554 . 2 1 107 107 GLY H H 1 7.37 0.04 . 1 . . . . . . . . 4349 1 555 . 2 1 107 107 GLY HA2 H 1 4.07 0.04 . 2 . . . . . . . . 4349 1 556 . 2 1 107 107 GLY HA3 H 1 3.756 0.04 . 2 . . . . . . . . 4349 1 557 . 2 1 107 107 GLY C C 13 173.2 0.5 . 1 . . . . . . . . 4349 1 558 . 2 1 107 107 GLY CA C 13 45.1 0.3 . 1 . . . . . . . . 4349 1 559 . 2 1 107 107 GLY N N 15 108.5 0.3 . 1 . . . . . . . . 4349 1 560 . 2 1 108 108 THR H H 1 8.27 0.04 . 1 . . . . . . . . 4349 1 561 . 2 1 108 108 THR HA H 1 4.72 0.04 . 1 . . . . . . . . 4349 1 562 . 2 1 108 108 THR C C 13 173.7 0.5 . 1 . . . . . . . . 4349 1 563 . 2 1 108 108 THR CA C 13 62.1 0.3 . 1 . . . . . . . . 4349 1 564 . 2 1 108 108 THR CB C 13 72.7 0.3 . 1 . . . . . . . . 4349 1 565 . 2 1 108 108 THR N N 15 119.0 0.3 . 1 . . . . . . . . 4349 1 566 . 2 1 109 109 LYS H H 1 8.27 0.04 . 1 . . . . . . . . 4349 1 567 . 2 1 109 109 LYS HA H 1 4.74 0.04 . 1 . . . . . . . . 4349 1 568 . 2 1 109 109 LYS C C 13 174.0 0.5 . 1 . . . . . . . . 4349 1 569 . 2 1 109 109 LYS CA C 13 56.2 0.3 . 1 . . . . . . . . 4349 1 570 . 2 1 109 109 LYS CB C 13 32.0 0.3 . 1 . . . . . . . . 4349 1 571 . 2 1 109 109 LYS N N 15 129.8 0.3 . 1 . . . . . . . . 4349 1 572 . 2 1 110 110 LEU H H 1 8.85 0.04 . 1 . . . . . . . . 4349 1 573 . 2 1 110 110 LEU HA H 1 5.14 0.04 . 1 . . . . . . . . 4349 1 574 . 2 1 110 110 LEU C C 13 175.3 0.5 . 1 . . . . . . . . 4349 1 575 . 2 1 110 110 LEU CA C 13 53.8 0.3 . 1 . . . . . . . . 4349 1 576 . 2 1 110 110 LEU CB C 13 43.5 0.3 . 1 . . . . . . . . 4349 1 577 . 2 1 110 110 LEU N N 15 130.6 0.3 . 1 . . . . . . . . 4349 1 578 . 2 1 111 111 GLU H H 1 8.93 0.04 . 1 . . . . . . . . 4349 1 579 . 2 1 111 111 GLU HA H 1 4.57 0.04 . 1 . . . . . . . . 4349 1 580 . 2 1 111 111 GLU C C 13 174.1 0.5 . 1 . . . . . . . . 4349 1 581 . 2 1 111 111 GLU CA C 13 54.6 0.3 . 1 . . . . . . . . 4349 1 582 . 2 1 111 111 GLU CB C 13 32.4 0.3 . 1 . . . . . . . . 4349 1 583 . 2 1 111 111 GLU N N 15 128.1 0.3 . 1 . . . . . . . . 4349 1 584 . 2 1 112 112 ILE H H 1 8.35 0.04 . 1 . . . . . . . . 4349 1 585 . 2 1 112 112 ILE HA H 1 5.03 0.04 . 1 . . . . . . . . 4349 1 586 . 2 1 112 112 ILE C C 13 175.5 0.5 . 1 . . . . . . . . 4349 1 587 . 2 1 112 112 ILE CA C 13 57.6 0.3 . 1 . . . . . . . . 4349 1 588 . 2 1 112 112 ILE CB C 13 36.8 0.3 . 1 . . . . . . . . 4349 1 589 . 2 1 112 112 ILE N N 15 124.2 0.3 . 1 . . . . . . . . 4349 1 590 . 2 1 113 113 LYS H H 1 8.28 0.04 . 1 . . . . . . . . 4349 1 591 . 2 1 113 113 LYS HA H 1 4.20 0.04 . 1 . . . . . . . . 4349 1 592 . 2 1 113 113 LYS CA C 13 56.9 0.3 . 1 . . . . . . . . 4349 1 593 . 2 1 113 113 LYS CB C 13 33.6 0.3 . 1 . . . . . . . . 4349 1 594 . 2 1 113 113 LYS N N 15 133.3 0.3 . 1 . . . . . . . . 4349 1 stop_ save_ save_assigned_chemical_shifts_Vh _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_Vh _Assigned_chem_shift_list.Entry_ID 4349 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_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 ; The chemical shifts for 13CA and 13CB have NOT been corrected for the deuterium effect. Sample = "Vh bound" ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4349 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 2 1 1 GLN C C 13 177.3 0.5 . 1 . . . . . . . . 4349 2 2 . 1 2 1 1 GLN CA C 13 59.2 0.3 . 1 . . . . . . . . 4349 2 3 . 1 2 1 1 GLN CB C 13 27.2 0.3 . 1 . . . . . . . . 4349 2 4 . 1 2 2 2 VAL H H 1 8.06 0.04 . 1 . . . . . . . . 4349 2 5 . 1 2 2 2 VAL HA H 1 4.13 0.04 . 1 . . . . . . . . 4349 2 6 . 1 2 2 2 VAL C C 13 175.7 0.5 . 1 . . . . . . . . 4349 2 7 . 1 2 2 2 VAL CA C 13 61.8 0.3 . 1 . . . . . . . . 4349 2 8 . 1 2 2 2 VAL CB C 13 32.1 0.3 . 1 . . . . . . . . 4349 2 9 . 1 2 2 2 VAL N N 15 123.9 0.3 . 1 . . . . . . . . 4349 2 10 . 1 2 3 3 GLN H H 1 8.13 0.04 . 1 . . . . . . . . 4349 2 11 . 1 2 3 3 GLN HA H 1 4.33 0.04 . 1 . . . . . . . . 4349 2 12 . 1 2 3 3 GLN CA C 13 55.5 0.3 . 1 . . . . . . . . 4349 2 13 . 1 2 3 3 GLN CB C 13 35.3 0.3 . 1 . . . . . . . . 4349 2 14 . 1 2 3 3 GLN N N 15 126.8 0.3 . 1 . . . . . . . . 4349 2 15 . 1 2 9 9 PRO C C 13 177.4 0.5 . 1 . . . . . . . . 4349 2 16 . 1 2 9 9 PRO CA C 13 63.4 0.3 . 1 . . . . . . . . 4349 2 17 . 1 2 9 9 PRO CB C 13 32.1 0.3 . 1 . . . . . . . . 4349 2 18 . 1 2 10 10 GLY H H 1 8.56 0.04 . 1 . . . . . . . . 4349 2 19 . 1 2 10 10 GLY HA2 H 1 4.1 0.04 . 1 . . . . . . . . 4349 2 20 . 1 2 10 10 GLY HA3 H 1 4.1 0.04 . 1 . . . . . . . . 4349 2 21 . 1 2 10 10 GLY C C 13 172.8 0.5 . 1 . . . . . . . . 4349 2 22 . 1 2 10 10 GLY CA C 13 46.3 0.3 . 1 . . . . . . . . 4349 2 23 . 1 2 10 10 GLY N N 15 112 0.3 . 1 . . . . . . . . 4349 2 24 . 1 2 11 11 LEU H H 1 7.7 0.04 . 1 . . . . . . . . 4349 2 25 . 1 2 11 11 LEU HA H 1 5.16 0.04 . 1 . . . . . . . . 4349 2 26 . 1 2 11 11 LEU C C 13 176.3 0.5 . 1 . . . . . . . . 4349 2 27 . 1 2 11 11 LEU CA C 13 54.3 0.3 . 1 . . . . . . . . 4349 2 28 . 1 2 11 11 LEU CB C 13 43.1 0.3 . 1 . . . . . . . . 4349 2 29 . 1 2 11 11 LEU N N 15 128.7 0.3 . 1 . . . . . . . . 4349 2 30 . 1 2 12 12 VAL H H 1 8.57 0.04 . 1 . . . . . . . . 4349 2 31 . 1 2 12 12 VAL HA H 1 4.24 0.04 . 1 . . . . . . . . 4349 2 32 . 1 2 12 12 VAL C C 13 172.7 0.5 . 1 . . . . . . . . 4349 2 33 . 1 2 12 12 VAL CA C 13 59.9 0.3 . 1 . . . . . . . . 4349 2 34 . 1 2 12 12 VAL CB C 13 34.8 0.3 . 1 . . . . . . . . 4349 2 35 . 1 2 12 12 VAL N N 15 123.9 0.3 . 1 . . . . . . . . 4349 2 36 . 1 2 13 13 ALA H H 1 7.96 0.04 . 1 . . . . . . . . 4349 2 37 . 1 2 13 13 ALA HA H 1 4.92 0.04 . 1 . . . . . . . . 4349 2 38 . 1 2 13 13 ALA C C 13 49.3 0.5 . 1 . . . . . . . . 4349 2 39 . 1 2 13 13 ALA CA C 13 59.9 0.3 . 1 . . . . . . . . 4349 2 40 . 1 2 13 13 ALA CB C 13 17.9 0.3 . 1 . . . . . . . . 4349 2 41 . 1 2 13 13 ALA N N 15 127 0.3 . 1 . . . . . . . . 4349 2 42 . 1 2 14 14 PRO C C 13 176.2 0.5 . 1 . . . . . . . . 4349 2 43 . 1 2 14 14 PRO CA C 13 62.5 0.3 . 1 . . . . . . . . 4349 2 44 . 1 2 14 14 PRO CB C 13 33.8 0.3 . 1 . . . . . . . . 4349 2 45 . 1 2 15 15 SER H H 1 9.18 0.04 . 1 . . . . . . . . 4349 2 46 . 1 2 15 15 SER C C 13 174.4 0.5 . 1 . . . . . . . . 4349 2 47 . 1 2 15 15 SER CA C 13 61 0.3 . 1 . . . . . . . . 4349 2 48 . 1 2 15 15 SER CB C 13 62.5 0.3 . 1 . . . . . . . . 4349 2 49 . 1 2 15 15 SER N N 15 117.2 0.3 . 1 . . . . . . . . 4349 2 50 . 1 2 16 16 GLN H H 1 7.71 0.04 . 1 . . . . . . . . 4349 2 51 . 1 2 16 16 GLN HA H 1 4.45 0.04 . 1 . . . . . . . . 4349 2 52 . 1 2 16 16 GLN C C 13 173.7 0.5 . 1 . . . . . . . . 4349 2 53 . 1 2 16 16 GLN CA C 13 54.9 0.3 . 1 . . . . . . . . 4349 2 54 . 1 2 16 16 GLN CB C 13 28.2 0.3 . 1 . . . . . . . . 4349 2 55 . 1 2 16 16 GLN N N 15 122.5 0.3 . 1 . . . . . . . . 4349 2 56 . 1 2 17 17 SER H H 1 7.96 0.04 . 1 . . . . . . . . 4349 2 57 . 1 2 17 17 SER HA H 1 4.98 0.04 . 1 . . . . . . . . 4349 2 58 . 1 2 17 17 SER C C 13 172.7 0.5 . 1 . . . . . . . . 4349 2 59 . 1 2 17 17 SER CA C 13 57.4 0.3 . 1 . . . . . . . . 4349 2 60 . 1 2 17 17 SER CB C 13 65.1 0.3 . 1 . . . . . . . . 4349 2 61 . 1 2 17 17 SER N N 15 112.7 0.3 . 1 . . . . . . . . 4349 2 62 . 1 2 18 18 LEU H H 1 8.91 0.04 . 1 . . . . . . . . 4349 2 63 . 1 2 18 18 LEU HA H 1 4.45 0.04 . 1 . . . . . . . . 4349 2 64 . 1 2 18 18 LEU C C 13 174.9 0.5 . 1 . . . . . . . . 4349 2 65 . 1 2 18 18 LEU CA C 13 53.1 0.3 . 1 . . . . . . . . 4349 2 66 . 1 2 18 18 LEU CB C 13 45.4 0.3 . 1 . . . . . . . . 4349 2 67 . 1 2 18 18 LEU N N 15 122.7 0.3 . 1 . . . . . . . . 4349 2 68 . 1 2 19 19 SER H H 1 8.02 0.04 . 1 . . . . . . . . 4349 2 69 . 1 2 19 19 SER HA H 1 5.25 0.04 . 1 . . . . . . . . 4349 2 70 . 1 2 19 19 SER C C 13 173.4 0.5 . 1 . . . . . . . . 4349 2 71 . 1 2 19 19 SER CA C 13 56.8 0.3 . 1 . . . . . . . . 4349 2 72 . 1 2 19 19 SER CB C 13 64.3 0.3 . 1 . . . . . . . . 4349 2 73 . 1 2 19 19 SER N N 15 121.4 0.3 . 1 . . . . . . . . 4349 2 74 . 1 2 20 20 ILE H H 1 8.98 0.04 . 1 . . . . . . . . 4349 2 75 . 1 2 20 20 ILE HA H 1 4.79 0.04 . 1 . . . . . . . . 4349 2 76 . 1 2 20 20 ILE C C 13 176.3 0.5 . 1 . . . . . . . . 4349 2 77 . 1 2 20 20 ILE CA C 13 59.2 0.3 . 1 . . . . . . . . 4349 2 78 . 1 2 20 20 ILE CB C 13 40.2 0.3 . 1 . . . . . . . . 4349 2 79 . 1 2 20 20 ILE N N 15 125.3 0.3 . 1 . . . . . . . . 4349 2 80 . 1 2 21 21 THR H H 1 8.54 0.04 . 1 . . . . . . . . 4349 2 81 . 1 2 21 21 THR HA H 1 4.98 0.04 . 1 . . . . . . . . 4349 2 82 . 1 2 21 21 THR C C 13 173 0.5 . 1 . . . . . . . . 4349 2 83 . 1 2 21 21 THR CA C 13 61.3 0.3 . 1 . . . . . . . . 4349 2 84 . 1 2 21 21 THR CB C 13 70.6 0.3 . 1 . . . . . . . . 4349 2 85 . 1 2 21 21 THR N N 15 121.7 0.3 . 1 . . . . . . . . 4349 2 86 . 1 2 22 22 CYS H H 1 9.83 0.04 . 1 . . . . . . . . 4349 2 87 . 1 2 22 22 CYS HA H 1 5 0.04 . 1 . . . . . . . . 4349 2 88 . 1 2 22 22 CYS C C 13 173.4 0.5 . 1 . . . . . . . . 4349 2 89 . 1 2 22 22 CYS CA C 13 54.6 0.3 . 1 . . . . . . . . 4349 2 90 . 1 2 22 22 CYS CB C 13 43.7 0.3 . 1 . . . . . . . . 4349 2 91 . 1 2 22 22 CYS N N 15 128.4 0.3 . 1 . . . . . . . . 4349 2 92 . 1 2 23 23 THR H H 1 9.03 0.04 . 1 . . . . . . . . 4349 2 93 . 1 2 23 23 THR HA H 1 4.65 0.04 . 1 . . . . . . . . 4349 2 94 . 1 2 23 23 THR C C 13 174.4 0.5 . 1 . . . . . . . . 4349 2 95 . 1 2 23 23 THR CA C 13 63 0.3 . 1 . . . . . . . . 4349 2 96 . 1 2 23 23 THR CB C 13 68.7 0.3 . 1 . . . . . . . . 4349 2 97 . 1 2 23 23 THR N N 15 126.9 0.3 . 1 . . . . . . . . 4349 2 98 . 1 2 24 24 VAL H H 1 8.61 0.04 . 1 . . . . . . . . 4349 2 99 . 1 2 24 24 VAL HA H 1 4.7 0.04 . 1 . . . . . . . . 4349 2 100 . 1 2 24 24 VAL C C 13 174.9 0.5 . 1 . . . . . . . . 4349 2 101 . 1 2 24 24 VAL CA C 13 60.4 0.3 . 1 . . . . . . . . 4349 2 102 . 1 2 24 24 VAL CB C 13 32.6 0.3 . 1 . . . . . . . . 4349 2 103 . 1 2 24 24 VAL N N 15 128.3 0.3 . 1 . . . . . . . . 4349 2 104 . 1 2 25 25 SER H H 1 8.79 0.04 . 1 . . . . . . . . 4349 2 105 . 1 2 25 25 SER HA H 1 4.75 0.04 . 1 . . . . . . . . 4349 2 106 . 1 2 25 25 SER C C 13 174.4 0.5 . 1 . . . . . . . . 4349 2 107 . 1 2 25 25 SER CA C 13 56.7 0.3 . 1 . . . . . . . . 4349 2 108 . 1 2 25 25 SER CB C 13 64.7 0.3 . 1 . . . . . . . . 4349 2 109 . 1 2 25 25 SER N N 15 121 0.3 . 1 . . . . . . . . 4349 2 110 . 1 2 26 26 GLY H H 1 8.63 0.04 . 1 . . . . . . . . 4349 2 111 . 1 2 26 26 GLY HA2 H 1 4.7 0.04 . 1 . . . . . . . . 4349 2 112 . 1 2 26 26 GLY HA3 H 1 4.7 0.04 . 1 . . . . . . . . 4349 2 113 . 1 2 26 26 GLY C C 13 173 0.5 . 1 . . . . . . . . 4349 2 114 . 1 2 26 26 GLY CA C 13 45.5 0.3 . 1 . . . . . . . . 4349 2 115 . 1 2 26 26 GLY N N 15 111.1 0.3 . 1 . . . . . . . . 4349 2 116 . 1 2 27 27 ILE H H 1 6.66 0.04 . 1 . . . . . . . . 4349 2 117 . 1 2 27 27 ILE HA H 1 4.25 0.04 . 1 . . . . . . . . 4349 2 118 . 1 2 27 27 ILE C C 13 174.3 0.5 . 1 . . . . . . . . 4349 2 119 . 1 2 27 27 ILE CA C 13 58.8 0.3 . 1 . . . . . . . . 4349 2 120 . 1 2 27 27 ILE CB C 13 41.1 0.3 . 1 . . . . . . . . 4349 2 121 . 1 2 27 27 ILE N N 15 111.2 0.3 . 1 . . . . . . . . 4349 2 122 . 1 2 28 28 SER H H 1 8.26 0.04 . 1 . . . . . . . . 4349 2 123 . 1 2 28 28 SER HA H 1 4.51 0.04 . 1 . . . . . . . . 4349 2 124 . 1 2 28 28 SER C C 13 176.8 0.5 . 1 . . . . . . . . 4349 2 125 . 1 2 28 28 SER CA C 13 56.3 0.3 . 1 . . . . . . . . 4349 2 126 . 1 2 28 28 SER CB C 13 63.4 0.3 . 1 . . . . . . . . 4349 2 127 . 1 2 28 28 SER N N 15 115.5 0.3 . 1 . . . . . . . . 4349 2 128 . 1 2 29 29 LEU H H 1 8.97 0.04 . 1 . . . . . . . . 4349 2 129 . 1 2 29 29 LEU HA H 1 4.7 0.04 . 1 . . . . . . . . 4349 2 130 . 1 2 29 29 LEU C C 13 176.2 0.5 . 1 . . . . . . . . 4349 2 131 . 1 2 29 29 LEU CA C 13 56 0.3 . 1 . . . . . . . . 4349 2 132 . 1 2 29 29 LEU CB C 13 40.5 0.3 . 1 . . . . . . . . 4349 2 133 . 1 2 29 29 LEU N N 15 129 0.3 . 1 . . . . . . . . 4349 2 134 . 1 2 30 30 SER H H 1 7.97 0.04 . 1 . . . . . . . . 4349 2 135 . 1 2 30 30 SER HA H 1 4.44 0.04 . 1 . . . . . . . . 4349 2 136 . 1 2 30 30 SER C C 13 175.2 0.5 . 1 . . . . . . . . 4349 2 137 . 1 2 30 30 SER CA C 13 59.7 0.3 . 1 . . . . . . . . 4349 2 138 . 1 2 30 30 SER CB C 13 62.9 0.3 . 1 . . . . . . . . 4349 2 139 . 1 2 30 30 SER N N 15 111.5 0.3 . 1 . . . . . . . . 4349 2 140 . 1 2 31 31 ARG H H 1 7.39 0.04 . 1 . . . . . . . . 4349 2 141 . 1 2 31 31 ARG HA H 1 4.69 0.04 . 1 . . . . . . . . 4349 2 142 . 1 2 31 31 ARG C C 13 175.5 0.5 . 1 . . . . . . . . 4349 2 143 . 1 2 31 31 ARG CA C 13 55.8 0.3 . 1 . . . . . . . . 4349 2 144 . 1 2 31 31 ARG CB C 13 31.5 0.3 . 1 . . . . . . . . 4349 2 145 . 1 2 31 31 ARG N N 15 119.1 0.3 . 1 . . . . . . . . 4349 2 146 . 1 2 32 32 TYR H H 1 7.63 0.04 . 1 . . . . . . . . 4349 2 147 . 1 2 32 32 TYR HA H 1 4.54 0.04 . 1 . . . . . . . . 4349 2 148 . 1 2 32 32 TYR C C 13 173.6 0.5 . 1 . . . . . . . . 4349 2 149 . 1 2 32 32 TYR CA C 13 57.8 0.3 . 1 . . . . . . . . 4349 2 150 . 1 2 32 32 TYR CB C 13 39.9 0.3 . 1 . . . . . . . . 4349 2 151 . 1 2 32 32 TYR N N 15 119.6 0.3 . 1 . . . . . . . . 4349 2 152 . 1 2 33 33 ASN H H 1 8.64 0.04 . 1 . . . . . . . . 4349 2 153 . 1 2 33 33 ASN HA H 1 4.84 0.04 . 1 . . . . . . . . 4349 2 154 . 1 2 33 33 ASN CA C 13 51.4 0.3 . 1 . . . . . . . . 4349 2 155 . 1 2 33 33 ASN CB C 13 39.7 0.3 . 1 . . . . . . . . 4349 2 156 . 1 2 33 33 ASN N N 15 118.6 0.3 . 1 . . . . . . . . 4349 2 157 . 1 2 34 34 VAL H H 1 8.3 0.04 . 1 . . . . . . . . 4349 2 158 . 1 2 34 34 VAL HA H 1 4.89 0.04 . 1 . . . . . . . . 4349 2 159 . 1 2 34 34 VAL CA C 13 61.6 0.3 . 1 . . . . . . . . 4349 2 160 . 1 2 34 34 VAL CB C 13 33 0.3 . 1 . . . . . . . . 4349 2 161 . 1 2 34 34 VAL N N 15 123 0.3 . 1 . . . . . . . . 4349 2 162 . 1 2 36 36 TRP C C 13 174.9 0.5 . 1 . . . . . . . . 4349 2 163 . 1 2 36 36 TRP CB C 13 32.9 0.3 . 1 . . . . . . . . 4349 2 164 . 1 2 37 37 VAL H H 1 9.31 0.04 . 1 . . . . . . . . 4349 2 165 . 1 2 37 37 VAL HA H 1 4.92 0.04 . 1 . . . . . . . . 4349 2 166 . 1 2 37 37 VAL C C 13 173.4 0.5 . 1 . . . . . . . . 4349 2 167 . 1 2 37 37 VAL CA C 13 59.6 0.3 . 1 . . . . . . . . 4349 2 168 . 1 2 37 37 VAL CB C 13 36.6 0.3 . 1 . . . . . . . . 4349 2 169 . 1 2 37 37 VAL N N 15 123.9 0.3 . 1 . . . . . . . . 4349 2 170 . 1 2 38 38 ARG H H 1 9.23 0.04 . 1 . . . . . . . . 4349 2 171 . 1 2 38 38 ARG HA H 1 5.81 0.04 . 1 . . . . . . . . 4349 2 172 . 1 2 38 38 ARG C C 13 173.3 0.5 . 1 . . . . . . . . 4349 2 173 . 1 2 38 38 ARG CA C 13 52.8 0.3 . 1 . . . . . . . . 4349 2 174 . 1 2 38 38 ARG CB C 13 32.2 0.3 . 1 . . . . . . . . 4349 2 175 . 1 2 38 38 ARG N N 15 120.8 0.3 . 1 . . . . . . . . 4349 2 176 . 1 2 39 39 GLN H H 1 9.14 0.04 . 1 . . . . . . . . 4349 2 177 . 1 2 39 39 GLN HA H 1 5.11 0.04 . 1 . . . . . . . . 4349 2 178 . 1 2 39 39 GLN C C 13 174.6 0.5 . 1 . . . . . . . . 4349 2 179 . 1 2 39 39 GLN CA C 13 54.1 0.3 . 1 . . . . . . . . 4349 2 180 . 1 2 39 39 GLN CB C 13 32.6 0.3 . 1 . . . . . . . . 4349 2 181 . 1 2 39 39 GLN N N 15 121.7 0.3 . 1 . . . . . . . . 4349 2 182 . 1 2 40 40 SER H H 1 8.45 0.04 . 1 . . . . . . . . 4349 2 183 . 1 2 40 40 SER HA H 1 4.98 0.04 . 1 . . . . . . . . 4349 2 184 . 1 2 40 40 SER CA C 13 55.7 0.3 . 1 . . . . . . . . 4349 2 185 . 1 2 40 40 SER CB C 13 64.6 0.3 . 1 . . . . . . . . 4349 2 186 . 1 2 40 40 SER N N 15 124 0.3 . 1 . . . . . . . . 4349 2 187 . 1 2 41 41 PRO C C 13 178.9 0.5 . 1 . . . . . . . . 4349 2 188 . 1 2 41 41 PRO CA C 13 64.5 0.3 . 1 . . . . . . . . 4349 2 189 . 1 2 41 41 PRO CB C 13 31.2 0.3 . 1 . . . . . . . . 4349 2 190 . 1 2 42 42 GLY H H 1 8.61 0.04 . 1 . . . . . . . . 4349 2 191 . 1 2 42 42 GLY HA2 H 1 4.7 0.04 . 1 . . . . . . . . 4349 2 192 . 1 2 42 42 GLY HA3 H 1 4.7 0.04 . 1 . . . . . . . . 4349 2 193 . 1 2 42 42 GLY C C 13 175.2 0.5 . 1 . . . . . . . . 4349 2 194 . 1 2 42 42 GLY CA C 13 45.7 0.3 . 1 . . . . . . . . 4349 2 195 . 1 2 42 42 GLY N N 15 107.3 0.3 . 1 . . . . . . . . 4349 2 196 . 1 2 43 43 LYS H H 1 7.42 0.04 . 1 . . . . . . . . 4349 2 197 . 1 2 43 43 LYS HA H 1 4.45 0.04 . 1 . . . . . . . . 4349 2 198 . 1 2 43 43 LYS C C 13 177 0.5 . 1 . . . . . . . . 4349 2 199 . 1 2 43 43 LYS CA C 13 55.5 0.3 . 1 . . . . . . . . 4349 2 200 . 1 2 43 43 LYS CB C 13 33.3 0.3 . 1 . . . . . . . . 4349 2 201 . 1 2 43 43 LYS N N 15 118.9 0.3 . 1 . . . . . . . . 4349 2 202 . 1 2 44 44 GLY H H 1 8.08 0.04 . 1 . . . . . . . . 4349 2 203 . 1 2 44 44 GLY HA2 H 1 4.04 0.04 . 2 . . . . . . . . 4349 2 204 . 1 2 44 44 GLY HA3 H 1 3.85 0.04 . 2 . . . . . . . . 4349 2 205 . 1 2 44 44 GLY C C 13 174.3 0.5 . 1 . . . . . . . . 4349 2 206 . 1 2 44 44 GLY CA C 13 45.3 0.3 . 1 . . . . . . . . 4349 2 207 . 1 2 44 44 GLY N N 15 109.8 0.3 . 1 . . . . . . . . 4349 2 208 . 1 2 45 45 LEU H H 1 7.92 0.04 . 1 . . . . . . . . 4349 2 209 . 1 2 45 45 LEU HA H 1 4.47 0.04 . 1 . . . . . . . . 4349 2 210 . 1 2 45 45 LEU C C 13 176.1 0.5 . 1 . . . . . . . . 4349 2 211 . 1 2 45 45 LEU CA C 13 54.8 0.3 . 1 . . . . . . . . 4349 2 212 . 1 2 45 45 LEU CB C 13 41 0.3 . 1 . . . . . . . . 4349 2 213 . 1 2 45 45 LEU N N 15 125.6 0.3 . 1 . . . . . . . . 4349 2 214 . 1 2 46 46 GLU H H 1 9.16 0.04 . 1 . . . . . . . . 4349 2 215 . 1 2 46 46 GLU HA H 1 4.7 0.04 . 1 . . . . . . . . 4349 2 216 . 1 2 46 46 GLU C C 13 173.9 0.5 . 1 . . . . . . . . 4349 2 217 . 1 2 46 46 GLU CA C 13 54.7 0.3 . 1 . . . . . . . . 4349 2 218 . 1 2 46 46 GLU CB C 13 34.3 0.3 . 1 . . . . . . . . 4349 2 219 . 1 2 46 46 GLU N N 15 123.4 0.3 . 1 . . . . . . . . 4349 2 220 . 1 2 47 47 TRP H H 1 10.09 0.04 . 1 . . . . . . . . 4349 2 221 . 1 2 47 47 TRP C C 13 175.6 0.5 . 1 . . . . . . . . 4349 2 222 . 1 2 47 47 TRP CA C 13 58.9 0.3 . 1 . . . . . . . . 4349 2 223 . 1 2 47 47 TRP CB C 13 30.3 0.3 . 1 . . . . . . . . 4349 2 224 . 1 2 47 47 TRP N N 15 129.4 0.3 . 1 . . . . . . . . 4349 2 225 . 1 2 48 48 LEU H H 1 8.93 0.04 . 1 . . . . . . . . 4349 2 226 . 1 2 48 48 LEU HA H 1 4.32 0.04 . 1 . . . . . . . . 4349 2 227 . 1 2 48 48 LEU C C 13 175.3 0.5 . 1 . . . . . . . . 4349 2 228 . 1 2 48 48 LEU CA C 13 56.3 0.3 . 1 . . . . . . . . 4349 2 229 . 1 2 48 48 LEU CB C 13 41.2 0.3 . 1 . . . . . . . . 4349 2 230 . 1 2 48 48 LEU N N 15 127.6 0.3 . 1 . . . . . . . . 4349 2 231 . 1 2 49 49 GLY H H 1 6.16 0.04 . 1 . . . . . . . . 4349 2 232 . 1 2 49 49 GLY HA2 H 1 3.68 0.04 . 1 . . . . . . . . 4349 2 233 . 1 2 49 49 GLY HA3 H 1 3.68 0.04 . 1 . . . . . . . . 4349 2 234 . 1 2 49 49 GLY C C 13 170 0.5 . 1 . . . . . . . . 4349 2 235 . 1 2 49 49 GLY CA C 13 44.6 0.3 . 1 . . . . . . . . 4349 2 236 . 1 2 49 49 GLY N N 15 102.7 0.3 . 1 . . . . . . . . 4349 2 237 . 1 2 50 50 MET H H 1 8.74 0.04 . 1 . . . . . . . . 4349 2 238 . 1 2 50 50 MET HA H 1 5.24 0.04 . 1 . . . . . . . . 4349 2 239 . 1 2 50 50 MET C C 13 171.7 0.5 . 1 . . . . . . . . 4349 2 240 . 1 2 50 50 MET CA C 13 54.1 0.3 . 1 . . . . . . . . 4349 2 241 . 1 2 50 50 MET CB C 13 35 0.3 . 1 . . . . . . . . 4349 2 242 . 1 2 50 50 MET N N 15 113.6 0.3 . 1 . . . . . . . . 4349 2 243 . 1 2 51 51 ILE H H 1 9.26 0.04 . 1 . . . . . . . . 4349 2 244 . 1 2 51 51 ILE HA H 1 5.17 0.04 . 1 . . . . . . . . 4349 2 245 . 1 2 51 51 ILE C C 13 175.5 0.5 . 1 . . . . . . . . 4349 2 246 . 1 2 51 51 ILE CA C 13 58.6 0.3 . 1 . . . . . . . . 4349 2 247 . 1 2 51 51 ILE CB C 13 41.2 0.3 . 1 . . . . . . . . 4349 2 248 . 1 2 51 51 ILE N N 15 118.6 0.3 . 1 . . . . . . . . 4349 2 249 . 1 2 52 52 TRP H H 1 9.55 0.04 . 1 . . . . . . . . 4349 2 250 . 1 2 52 52 TRP C C 13 179 0.5 . 1 . . . . . . . . 4349 2 251 . 1 2 52 52 TRP CA C 13 57.6 0.3 . 1 . . . . . . . . 4349 2 252 . 1 2 52 52 TRP CB C 13 30 0.3 . 1 . . . . . . . . 4349 2 253 . 1 2 52 52 TRP N N 15 131.5 0.3 . 1 . . . . . . . . 4349 2 254 . 1 2 53 53 GLY H H 1 9.06 0.04 . 1 . . . . . . . . 4349 2 255 . 1 2 53 53 GLY C C 13 177.4 0.5 . 1 . . . . . . . . 4349 2 256 . 1 2 53 53 GLY CA C 13 47.5 0.3 . 1 . . . . . . . . 4349 2 257 . 1 2 53 53 GLY N N 15 112.4 0.3 . 1 . . . . . . . . 4349 2 258 . 1 2 54 54 GLY H H 1 8.79 0.04 . 1 . . . . . . . . 4349 2 259 . 1 2 54 54 GLY C C 13 175.4 0.5 . 1 . . . . . . . . 4349 2 260 . 1 2 54 54 GLY CA C 13 45.9 0.3 . 1 . . . . . . . . 4349 2 261 . 1 2 54 54 GLY N N 15 108 0.3 . 1 . . . . . . . . 4349 2 262 . 1 2 55 55 GLY H H 1 8.14 0.04 . 1 . . . . . . . . 4349 2 263 . 1 2 55 55 GLY HA2 H 1 4.68 0.04 . 1 . . . . . . . . 4349 2 264 . 1 2 55 55 GLY HA3 H 1 4.68 0.04 . 1 . . . . . . . . 4349 2 265 . 1 2 55 55 GLY CA C 13 44.8 0.3 . 1 . . . . . . . . 4349 2 266 . 1 2 55 55 GLY N N 15 107.5 0.3 . 1 . . . . . . . . 4349 2 267 . 1 2 56 56 SER H H 1 7.96 0.04 . 1 . . . . . . . . 4349 2 268 . 1 2 56 56 SER C C 13 172.9 0.5 . 1 . . . . . . . . 4349 2 269 . 1 2 56 56 SER CA C 13 59.9 0.3 . 1 . . . . . . . . 4349 2 270 . 1 2 56 56 SER CB C 13 62.6 0.3 . 1 . . . . . . . . 4349 2 271 . 1 2 56 56 SER N N 15 117.7 0.3 . 1 . . . . . . . . 4349 2 272 . 1 2 57 57 ILE H H 1 8.46 0.04 . 1 . . . . . . . . 4349 2 273 . 1 2 57 57 ILE CA C 13 60.5 0.3 . 1 . . . . . . . . 4349 2 274 . 1 2 57 57 ILE CB C 13 41.5 0.3 . 1 . . . . . . . . 4349 2 275 . 1 2 57 57 ILE N N 15 124.7 0.3 . 1 . . . . . . . . 4349 2 276 . 1 2 58 58 GLU H H 1 8.46 0.04 . 1 . . . . . . . . 4349 2 277 . 1 2 58 58 GLU C C 13 174.1 0.5 . 1 . . . . . . . . 4349 2 278 . 1 2 58 58 GLU CA C 13 54.9 0.3 . 1 . . . . . . . . 4349 2 279 . 1 2 58 58 GLU CB C 13 34.3 0.3 . 1 . . . . . . . . 4349 2 280 . 1 2 58 58 GLU N N 15 124.7 0.3 . 1 . . . . . . . . 4349 2 281 . 1 2 59 59 TYR H H 1 8.69 0.04 . 1 . . . . . . . . 4349 2 282 . 1 2 59 59 TYR HA H 1 4.84 0.04 . 1 . . . . . . . . 4349 2 283 . 1 2 59 59 TYR C C 13 176.4 0.5 . 1 . . . . . . . . 4349 2 284 . 1 2 59 59 TYR CA C 13 56.5 0.3 . 1 . . . . . . . . 4349 2 285 . 1 2 59 59 TYR CB C 13 42.1 0.3 . 1 . . . . . . . . 4349 2 286 . 1 2 59 59 TYR N N 15 118.2 0.3 . 1 . . . . . . . . 4349 2 287 . 1 2 60 60 ASN H H 1 8.26 0.04 . 1 . . . . . . . . 4349 2 288 . 1 2 60 60 ASN HA H 1 4.69 0.04 . 1 . . . . . . . . 4349 2 289 . 1 2 60 60 ASN CA C 13 51.7 0.3 . 1 . . . . . . . . 4349 2 290 . 1 2 60 60 ASN CB C 13 38.3 0.3 . 1 . . . . . . . . 4349 2 291 . 1 2 60 60 ASN N N 15 121.9 0.3 . 1 . . . . . . . . 4349 2 292 . 1 2 61 61 PRO C C 13 178 0.5 . 1 . . . . . . . . 4349 2 293 . 1 2 61 61 PRO CB C 13 31.7 0.3 . 1 . . . . . . . . 4349 2 294 . 1 2 62 62 ALA H H 1 8.11 0.04 . 1 . . . . . . . . 4349 2 295 . 1 2 62 62 ALA HA H 1 4.26 0.04 . 1 . . . . . . . . 4349 2 296 . 1 2 62 62 ALA C C 13 178.6 0.5 . 1 . . . . . . . . 4349 2 297 . 1 2 62 62 ALA CA C 13 53.8 0.3 . 1 . . . . . . . . 4349 2 298 . 1 2 62 62 ALA CB C 13 18 0.3 . 1 . . . . . . . . 4349 2 299 . 1 2 62 62 ALA N N 15 118.9 0.3 . 1 . . . . . . . . 4349 2 300 . 1 2 63 63 LEU H H 1 7.45 0.04 . 1 . . . . . . . . 4349 2 301 . 1 2 63 63 LEU HA H 1 4.56 0.04 . 1 . . . . . . . . 4349 2 302 . 1 2 63 63 LEU C C 13 176.8 0.5 . 1 . . . . . . . . 4349 2 303 . 1 2 63 63 LEU CA C 13 53.8 0.3 . 1 . . . . . . . . 4349 2 304 . 1 2 63 63 LEU CB C 13 44 0.3 . 1 . . . . . . . . 4349 2 305 . 1 2 63 63 LEU N N 15 116.4 0.3 . 1 . . . . . . . . 4349 2 306 . 1 2 64 64 LYS H H 1 7.22 0.04 . 1 . . . . . . . . 4349 2 307 . 1 2 64 64 LYS HA H 1 3.47 0.04 . 1 . . . . . . . . 4349 2 308 . 1 2 64 64 LYS C C 13 176.4 0.5 . 1 . . . . . . . . 4349 2 309 . 1 2 64 64 LYS CA C 13 59.8 0.3 . 1 . . . . . . . . 4349 2 310 . 1 2 64 64 LYS CB C 13 32.2 0.3 . 1 . . . . . . . . 4349 2 311 . 1 2 64 64 LYS N N 15 120.7 0.3 . 1 . . . . . . . . 4349 2 312 . 1 2 65 65 SER H H 1 8.48 0.04 . 1 . . . . . . . . 4349 2 313 . 1 2 65 65 SER C C 13 175.1 0.5 . 1 . . . . . . . . 4349 2 314 . 1 2 65 65 SER CA C 13 60.3 0.3 . 1 . . . . . . . . 4349 2 315 . 1 2 65 65 SER CB C 13 62.6 0.3 . 1 . . . . . . . . 4349 2 316 . 1 2 65 65 SER N N 15 112.7 0.3 . 1 . . . . . . . . 4349 2 317 . 1 2 66 66 ARG H H 1 7.91 0.04 . 1 . . . . . . . . 4349 2 318 . 1 2 66 66 ARG HA H 1 4.6 0.04 . 1 . . . . . . . . 4349 2 319 . 1 2 66 66 ARG C C 13 174.4 0.5 . 1 . . . . . . . . 4349 2 320 . 1 2 66 66 ARG CA C 13 55.3 0.3 . 1 . . . . . . . . 4349 2 321 . 1 2 66 66 ARG CB C 13 31.1 0.3 . 1 . . . . . . . . 4349 2 322 . 1 2 66 66 ARG N N 15 118.5 0.3 . 1 . . . . . . . . 4349 2 323 . 1 2 67 67 LEU H H 1 7.02 0.04 . 1 . . . . . . . . 4349 2 324 . 1 2 67 67 LEU HA H 1 5.13 0.04 . 1 . . . . . . . . 4349 2 325 . 1 2 67 67 LEU C C 13 175.6 0.5 . 1 . . . . . . . . 4349 2 326 . 1 2 67 67 LEU CA C 13 53.7 0.3 . 1 . . . . . . . . 4349 2 327 . 1 2 67 67 LEU CB C 13 47.1 0.3 . 1 . . . . . . . . 4349 2 328 . 1 2 67 67 LEU N N 15 120.7 0.3 . 1 . . . . . . . . 4349 2 329 . 1 2 68 68 SER H H 1 8.48 0.04 . 1 . . . . . . . . 4349 2 330 . 1 2 68 68 SER HA H 1 4.92 0.04 . 1 . . . . . . . . 4349 2 331 . 1 2 68 68 SER C C 13 173.7 0.5 . 1 . . . . . . . . 4349 2 332 . 1 2 68 68 SER CA C 13 57.5 0.3 . 1 . . . . . . . . 4349 2 333 . 1 2 68 68 SER CB C 13 65.1 0.3 . 1 . . . . . . . . 4349 2 334 . 1 2 68 68 SER N N 15 114 0.3 . 1 . . . . . . . . 4349 2 335 . 1 2 69 69 ILE H H 1 8.43 0.04 . 1 . . . . . . . . 4349 2 336 . 1 2 69 69 ILE HA H 1 5.08 0.04 . 1 . . . . . . . . 4349 2 337 . 1 2 69 69 ILE C C 13 173.5 0.5 . 1 . . . . . . . . 4349 2 338 . 1 2 69 69 ILE CA C 13 59.7 0.3 . 1 . . . . . . . . 4349 2 339 . 1 2 69 69 ILE CB C 13 40.8 0.3 . 1 . . . . . . . . 4349 2 340 . 1 2 69 69 ILE N N 15 128.9 0.3 . 1 . . . . . . . . 4349 2 341 . 1 2 70 70 SER H H 1 8.44 0.04 . 1 . . . . . . . . 4349 2 342 . 1 2 70 70 SER HA H 1 4.67 0.04 . 1 . . . . . . . . 4349 2 343 . 1 2 70 70 SER C C 13 172.5 0.5 . 1 . . . . . . . . 4349 2 344 . 1 2 70 70 SER CA C 13 57.3 0.3 . 1 . . . . . . . . 4349 2 345 . 1 2 70 70 SER CB C 13 65.7 0.3 . 1 . . . . . . . . 4349 2 346 . 1 2 70 70 SER N N 15 117.6 0.3 . 1 . . . . . . . . 4349 2 347 . 1 2 71 71 LYS H H 1 9.1 0.04 . 1 . . . . . . . . 4349 2 348 . 1 2 71 71 LYS HA H 1 5.18 0.04 . 1 . . . . . . . . 4349 2 349 . 1 2 71 71 LYS C C 13 173.7 0.5 . 1 . . . . . . . . 4349 2 350 . 1 2 71 71 LYS CA C 13 55.3 0.3 . 1 . . . . . . . . 4349 2 351 . 1 2 71 71 LYS CB C 13 36.8 0.3 . 1 . . . . . . . . 4349 2 352 . 1 2 71 71 LYS N N 15 116.7 0.3 . 1 . . . . . . . . 4349 2 353 . 1 2 72 72 ASP H H 1 8.83 0.04 . 1 . . . . . . . . 4349 2 354 . 1 2 72 72 ASP HA H 1 4.97 0.04 . 1 . . . . . . . . 4349 2 355 . 1 2 72 72 ASP C C 13 176.4 0.5 . 1 . . . . . . . . 4349 2 356 . 1 2 72 72 ASP CA C 13 52.6 0.3 . 1 . . . . . . . . 4349 2 357 . 1 2 72 72 ASP CB C 13 42.5 0.3 . 1 . . . . . . . . 4349 2 358 . 1 2 72 72 ASP N N 15 120.8 0.3 . 1 . . . . . . . . 4349 2 359 . 1 2 73 73 ASN H H 1 9.35 0.04 . 1 . . . . . . . . 4349 2 360 . 1 2 73 73 ASN C C 13 178.3 0.5 . 1 . . . . . . . . 4349 2 361 . 1 2 73 73 ASN CA C 13 56.5 0.3 . 1 . . . . . . . . 4349 2 362 . 1 2 73 73 ASN CB C 13 38.1 0.3 . 1 . . . . . . . . 4349 2 363 . 1 2 73 73 ASN N N 15 124.9 0.3 . 1 . . . . . . . . 4349 2 364 . 1 2 74 74 SER H H 1 8.58 0.04 . 1 . . . . . . . . 4349 2 365 . 1 2 74 74 SER C C 13 175.9 0.5 . 1 . . . . . . . . 4349 2 366 . 1 2 74 74 SER CA C 13 61.2 0.3 . 1 . . . . . . . . 4349 2 367 . 1 2 74 74 SER CB C 13 65.4 0.3 . 1 . . . . . . . . 4349 2 368 . 1 2 74 74 SER N N 15 117.1 0.3 . 1 . . . . . . . . 4349 2 369 . 1 2 75 75 LYS H H 1 7.49 0.04 . 1 . . . . . . . . 4349 2 370 . 1 2 75 75 LYS HA H 1 4.35 0.04 . 1 . . . . . . . . 4349 2 371 . 1 2 75 75 LYS C C 13 175.5 0.5 . 1 . . . . . . . . 4349 2 372 . 1 2 75 75 LYS CA C 13 43.1 0.3 . 1 . . . . . . . . 4349 2 373 . 1 2 75 75 LYS CB C 13 33 0.3 . 1 . . . . . . . . 4349 2 374 . 1 2 75 75 LYS N N 15 120.9 0.3 . 1 . . . . . . . . 4349 2 375 . 1 2 76 76 SER H H 1 7.85 0.04 . 1 . . . . . . . . 4349 2 376 . 1 2 76 76 SER HA H 1 4.72 0.04 . 1 . . . . . . . . 4349 2 377 . 1 2 76 76 SER C C 13 172.5 0.5 . 1 . . . . . . . . 4349 2 378 . 1 2 76 76 SER CA C 13 58.9 0.3 . 1 . . . . . . . . 4349 2 379 . 1 2 76 76 SER CB C 13 62.1 0.3 . 1 . . . . . . . . 4349 2 380 . 1 2 76 76 SER N N 15 114.8 0.3 . 1 . . . . . . . . 4349 2 381 . 1 2 77 77 GLN H H 1 7.25 0.04 . 1 . . . . . . . . 4349 2 382 . 1 2 77 77 GLN HA H 1 5.28 0.04 . 1 . . . . . . . . 4349 2 383 . 1 2 77 77 GLN C C 13 173.7 0.5 . 1 . . . . . . . . 4349 2 384 . 1 2 77 77 GLN CA C 13 53 0.3 . 1 . . . . . . . . 4349 2 385 . 1 2 77 77 GLN CB C 13 34.1 0.3 . 1 . . . . . . . . 4349 2 386 . 1 2 77 77 GLN N N 15 114.6 0.3 . 1 . . . . . . . . 4349 2 387 . 1 2 78 78 ILE H H 1 8.6 0.04 . 1 . . . . . . . . 4349 2 388 . 1 2 78 78 ILE HA H 1 4.43 0.04 . 1 . . . . . . . . 4349 2 389 . 1 2 78 78 ILE C C 13 173.5 0.5 . 1 . . . . . . . . 4349 2 390 . 1 2 78 78 ILE CA C 13 59.3 0.3 . 1 . . . . . . . . 4349 2 391 . 1 2 78 78 ILE CB C 13 40 0.3 . 1 . . . . . . . . 4349 2 392 . 1 2 78 78 ILE N N 15 120.3 0.3 . 1 . . . . . . . . 4349 2 393 . 1 2 79 79 PHE H H 1 9.37 0.04 . 1 . . . . . . . . 4349 2 394 . 1 2 79 79 PHE HA H 1 5.51 0.04 . 1 . . . . . . . . 4349 2 395 . 1 2 79 79 PHE CA C 13 56.5 0.3 . 1 . . . . . . . . 4349 2 396 . 1 2 79 79 PHE CB C 13 40.6 0.3 . 1 . . . . . . . . 4349 2 397 . 1 2 79 79 PHE N N 15 126.4 0.3 . 1 . . . . . . . . 4349 2 398 . 1 2 80 80 LEU H H 1 8.46 0.04 . 1 . . . . . . . . 4349 2 399 . 1 2 80 80 LEU C C 13 174.4 0.5 . 1 . . . . . . . . 4349 2 400 . 1 2 80 80 LEU CA C 13 53.7 0.3 . 1 . . . . . . . . 4349 2 401 . 1 2 80 80 LEU CB C 13 41.5 0.3 . 1 . . . . . . . . 4349 2 402 . 1 2 80 80 LEU N N 15 124.6 0.3 . 1 . . . . . . . . 4349 2 403 . 1 2 81 81 LYS H H 1 8.8 0.04 . 1 . . . . . . . . 4349 2 404 . 1 2 81 81 LYS HA H 1 5.34 0.04 . 1 . . . . . . . . 4349 2 405 . 1 2 81 81 LYS C C 13 172.7 0.5 . 1 . . . . . . . . 4349 2 406 . 1 2 81 81 LYS CA C 13 54 0.3 . 1 . . . . . . . . 4349 2 407 . 1 2 81 81 LYS CB C 13 34.4 0.3 . 1 . . . . . . . . 4349 2 408 . 1 2 81 81 LYS N N 15 127.6 0.3 . 1 . . . . . . . . 4349 2 409 . 1 2 82 82 MET H H 1 8.76 0.04 . 1 . . . . . . . . 4349 2 410 . 1 2 82 82 MET HA H 1 5.32 0.04 . 1 . . . . . . . . 4349 2 411 . 1 2 82 82 MET C C 13 174.2 0.5 . 1 . . . . . . . . 4349 2 412 . 1 2 82 82 MET CA C 13 53.7 0.3 . 1 . . . . . . . . 4349 2 413 . 1 2 82 82 MET CB C 13 37.2 0.3 . 1 . . . . . . . . 4349 2 414 . 1 2 82 82 MET N N 15 124.7 0.3 . 1 . . . . . . . . 4349 2 415 . 1 2 83 83 ASN H H 1 8.58 0.04 . 1 . . . . . . . . 4349 2 416 . 1 2 83 83 ASN HA H 1 4.86 0.04 . 1 . . . . . . . . 4349 2 417 . 1 2 83 83 ASN C C 13 174 0.5 . 1 . . . . . . . . 4349 2 418 . 1 2 83 83 ASN CA C 13 51.6 0.3 . 1 . . . . . . . . 4349 2 419 . 1 2 83 83 ASN CB C 13 40.6 0.3 . 1 . . . . . . . . 4349 2 420 . 1 2 83 83 ASN N N 15 123.2 0.3 . 1 . . . . . . . . 4349 2 421 . 1 2 84 84 SER H H 1 8.57 0.04 . 1 . . . . . . . . 4349 2 422 . 1 2 84 84 SER HA H 1 3.6 0.04 . 1 . . . . . . . . 4349 2 423 . 1 2 84 84 SER C C 13 174.1 0.5 . 1 . . . . . . . . 4349 2 424 . 1 2 84 84 SER CA C 13 57.3 0.3 . 1 . . . . . . . . 4349 2 425 . 1 2 84 84 SER CB C 13 61.2 0.3 . 1 . . . . . . . . 4349 2 426 . 1 2 84 84 SER N N 15 113.5 0.3 . 1 . . . . . . . . 4349 2 427 . 1 2 85 85 LEU H H 1 8.13 0.04 . 1 . . . . . . . . 4349 2 428 . 1 2 85 85 LEU HA H 1 3.95 0.04 . 1 . . . . . . . . 4349 2 429 . 1 2 85 85 LEU C C 13 177.3 0.5 . 1 . . . . . . . . 4349 2 430 . 1 2 85 85 LEU CA C 13 55.8 0.3 . 1 . . . . . . . . 4349 2 431 . 1 2 85 85 LEU CB C 13 41.8 0.3 . 1 . . . . . . . . 4349 2 432 . 1 2 85 85 LEU N N 15 119.3 0.3 . 1 . . . . . . . . 4349 2 433 . 1 2 86 86 GLN H H 1 9.4 0.04 . 1 . . . . . . . . 4349 2 434 . 1 2 86 86 GLN HA H 1 4.75 0.04 . 1 . . . . . . . . 4349 2 435 . 1 2 86 86 GLN C C 13 177.6 0.5 . 1 . . . . . . . . 4349 2 436 . 1 2 86 86 GLN CA C 13 52.5 0.3 . 1 . . . . . . . . 4349 2 437 . 1 2 86 86 GLN CB C 13 31.3 0.3 . 1 . . . . . . . . 4349 2 438 . 1 2 86 86 GLN N N 15 119.9 0.3 . 1 . . . . . . . . 4349 2 439 . 1 2 87 87 THR H H 1 8.98 0.04 . 1 . . . . . . . . 4349 2 440 . 1 2 87 87 THR HA H 1 4.72 0.04 . 1 . . . . . . . . 4349 2 441 . 1 2 87 87 THR C C 13 176.9 0.5 . 1 . . . . . . . . 4349 2 442 . 1 2 87 87 THR CA C 13 66.3 0.3 . 1 . . . . . . . . 4349 2 443 . 1 2 87 87 THR CB C 13 68.1 0.3 . 1 . . . . . . . . 4349 2 444 . 1 2 87 87 THR N N 15 116.5 0.3 . 1 . . . . . . . . 4349 2 445 . 1 2 88 88 ASP H H 1 8.27 0.04 . 1 . . . . . . . . 4349 2 446 . 1 2 88 88 ASP HA H 1 4.68 0.04 . 1 . . . . . . . . 4349 2 447 . 1 2 88 88 ASP C C 13 175.9 0.5 . 1 . . . . . . . . 4349 2 448 . 1 2 88 88 ASP CA C 13 54.9 0.3 . 1 . . . . . . . . 4349 2 449 . 1 2 88 88 ASP CB C 13 39.2 0.3 . 1 . . . . . . . . 4349 2 450 . 1 2 88 88 ASP N N 15 118.5 0.3 . 1 . . . . . . . . 4349 2 451 . 1 2 89 89 ASP H H 1 8.25 0.04 . 1 . . . . . . . . 4349 2 452 . 1 2 89 89 ASP HA H 1 4.73 0.04 . 1 . . . . . . . . 4349 2 453 . 1 2 89 89 ASP C C 13 176.8 0.5 . 1 . . . . . . . . 4349 2 454 . 1 2 89 89 ASP CA C 13 55 0.3 . 1 . . . . . . . . 4349 2 455 . 1 2 89 89 ASP CB C 13 41.4 0.3 . 1 . . . . . . . . 4349 2 456 . 1 2 89 89 ASP N N 15 116.8 0.3 . 1 . . . . . . . . 4349 2 457 . 1 2 90 90 SER H H 1 7.75 0.04 . 1 . . . . . . . . 4349 2 458 . 1 2 90 90 SER HA H 1 4.56 0.04 . 1 . . . . . . . . 4349 2 459 . 1 2 90 90 SER C C 13 173.4 0.5 . 1 . . . . . . . . 4349 2 460 . 1 2 90 90 SER CA C 13 60.3 0.3 . 1 . . . . . . . . 4349 2 461 . 1 2 90 90 SER CB C 13 63.4 0.3 . 1 . . . . . . . . 4349 2 462 . 1 2 90 90 SER N N 15 119.6 0.3 . 1 . . . . . . . . 4349 2 463 . 1 2 91 91 ALA H H 1 8.99 0.04 . 1 . . . . . . . . 4349 2 464 . 1 2 91 91 ALA HA H 1 4.35 0.04 . 1 . . . . . . . . 4349 2 465 . 1 2 91 91 ALA C C 13 175 0.5 . 1 . . . . . . . . 4349 2 466 . 1 2 91 91 ALA CA C 13 51.9 0.3 . 1 . . . . . . . . 4349 2 467 . 1 2 91 91 ALA CB C 13 20.6 0.3 . 1 . . . . . . . . 4349 2 468 . 1 2 91 91 ALA N N 15 127.2 0.3 . 1 . . . . . . . . 4349 2 469 . 1 2 92 92 MET H H 1 8.26 0.04 . 1 . . . . . . . . 4349 2 470 . 1 2 92 92 MET HA H 1 4.94 0.04 . 1 . . . . . . . . 4349 2 471 . 1 2 92 92 MET CA C 13 54 0.3 . 1 . . . . . . . . 4349 2 472 . 1 2 92 92 MET CB C 13 32.6 0.3 . 1 . . . . . . . . 4349 2 473 . 1 2 92 92 MET N N 15 119.9 0.3 . 1 . . . . . . . . 4349 2 474 . 1 2 93 93 TYR H H 1 9.11 0.04 . 1 . . . . . . . . 4349 2 475 . 1 2 93 93 TYR CB C 13 41.7 0.3 . 1 . . . . . . . . 4349 2 476 . 1 2 93 93 TYR N N 15 127.3 0.3 . 1 . . . . . . . . 4349 2 477 . 1 2 96 96 VAL C C 13 174.2 0.5 . 1 . . . . . . . . 4349 2 478 . 1 2 96 96 VAL CB C 13 34.5 0.3 . 1 . . . . . . . . 4349 2 479 . 1 2 97 97 SER H H 1 8.93 0.04 . 1 . . . . . . . . 4349 2 480 . 1 2 97 97 SER HA H 1 5.63 0.04 . 1 . . . . . . . . 4349 2 481 . 1 2 97 97 SER C C 13 172.8 0.5 . 1 . . . . . . . . 4349 2 482 . 1 2 97 97 SER CA C 13 55.9 0.3 . 1 . . . . . . . . 4349 2 483 . 1 2 97 97 SER CB C 13 67.6 0.3 . 1 . . . . . . . . 4349 2 484 . 1 2 97 97 SER N N 15 121.4 0.3 . 1 . . . . . . . . 4349 2 485 . 1 2 98 98 TYR H H 1 8.27 0.04 . 1 . . . . . . . . 4349 2 486 . 1 2 98 98 TYR CA C 13 54.9 0.3 . 1 . . . . . . . . 4349 2 487 . 1 2 98 98 TYR CB C 13 39.1 0.3 . 1 . . . . . . . . 4349 2 488 . 1 2 98 98 TYR N N 15 118.4 0.3 . 1 . . . . . . . . 4349 2 489 . 1 2 100 100 TYR C C 13 176.1 0.5 . 1 . . . . . . . . 4349 2 490 . 1 2 100 100 TYR CB C 13 39.9 0.3 . 1 . . . . . . . . 4349 2 491 . 1 2 101 101 GLY H H 1 8.67 0.04 . 1 . . . . . . . . 4349 2 492 . 1 2 101 101 GLY HA2 H 1 4.72 0.04 . 1 . . . . . . . . 4349 2 493 . 1 2 101 101 GLY HA3 H 1 4.72 0.04 . 1 . . . . . . . . 4349 2 494 . 1 2 101 101 GLY C C 13 175.2 0.5 . 1 . . . . . . . . 4349 2 495 . 1 2 101 101 GLY CA C 13 45.4 0.3 . 1 . . . . . . . . 4349 2 496 . 1 2 101 101 GLY N N 15 109.7 0.3 . 1 . . . . . . . . 4349 2 497 . 1 2 102 102 GLY H H 1 8.52 0.04 . 1 . . . . . . . . 4349 2 498 . 1 2 102 102 GLY HA2 H 1 4.67 0.04 . 1 . . . . . . . . 4349 2 499 . 1 2 102 102 GLY HA3 H 1 4.67 0.04 . 1 . . . . . . . . 4349 2 500 . 1 2 102 102 GLY CA C 13 43.5 0.3 . 1 . . . . . . . . 4349 2 501 . 1 2 102 102 GLY N N 15 111.1 0.3 . 1 . . . . . . . . 4349 2 502 . 1 2 103 103 ASP H H 1 8.42 0.04 . 1 . . . . . . . . 4349 2 503 . 1 2 103 103 ASP HA H 1 4.72 0.04 . 1 . . . . . . . . 4349 2 504 . 1 2 103 103 ASP C C 13 175.8 0.5 . 1 . . . . . . . . 4349 2 505 . 1 2 103 103 ASP CA C 13 55.7 0.3 . 1 . . . . . . . . 4349 2 506 . 1 2 103 103 ASP CB C 13 40.5 0.3 . 1 . . . . . . . . 4349 2 507 . 1 2 103 103 ASP N N 15 119.3 0.3 . 1 . . . . . . . . 4349 2 508 . 1 2 104 104 ARG H H 1 7.66 0.04 . 1 . . . . . . . . 4349 2 509 . 1 2 104 104 ARG HA H 1 4.51 0.04 . 1 . . . . . . . . 4349 2 510 . 1 2 104 104 ARG CA C 13 53.6 0.3 . 1 . . . . . . . . 4349 2 511 . 1 2 104 104 ARG CB C 13 31.8 0.3 . 1 . . . . . . . . 4349 2 512 . 1 2 104 104 ARG N N 15 118.8 0.3 . 1 . . . . . . . . 4349 2 513 . 1 2 105 105 PHE H H 1 10.55 0.04 . 1 . . . . . . . . 4349 2 514 . 1 2 105 105 PHE CB C 13 39.5 0.3 . 1 . . . . . . . . 4349 2 515 . 1 2 105 105 PHE N N 15 127.5 0.3 . 1 . . . . . . . . 4349 2 516 . 1 2 112 112 THR H H 1 8.57 0.04 . 1 . . . . . . . . 4349 2 517 . 1 2 112 112 THR HA H 1 4.68 0.04 . 1 . . . . . . . . 4349 2 518 . 1 2 112 112 THR C C 13 171.6 0.5 . 1 . . . . . . . . 4349 2 519 . 1 2 112 112 THR CA C 13 59.9 0.3 . 1 . . . . . . . . 4349 2 520 . 1 2 112 112 THR CB C 13 20.6 0.3 . 1 . . . . . . . . 4349 2 521 . 1 2 112 112 THR N N 15 118.6 0.3 . 1 . . . . . . . . 4349 2 522 . 1 2 113 113 LEU H H 1 8.54 0.04 . 1 . . . . . . . . 4349 2 523 . 1 2 113 113 LEU HA H 1 4.66 0.04 . 1 . . . . . . . . 4349 2 524 . 1 2 113 113 LEU C C 13 177.3 0.5 . 1 . . . . . . . . 4349 2 525 . 1 2 113 113 LEU CA C 13 55.5 0.3 . 1 . . . . . . . . 4349 2 526 . 1 2 113 113 LEU CB C 13 41.7 0.3 . 1 . . . . . . . . 4349 2 527 . 1 2 113 113 LEU N N 15 134.1 0.3 . 1 . . . . . . . . 4349 2 528 . 1 2 114 114 VAL H H 1 9.15 0.04 . 1 . . . . . . . . 4349 2 529 . 1 2 114 114 VAL HA H 1 4.55 0.04 . 1 . . . . . . . . 4349 2 530 . 1 2 114 114 VAL C C 13 175.1 0.5 . 1 . . . . . . . . 4349 2 531 . 1 2 114 114 VAL CA C 13 61.4 0.3 . 1 . . . . . . . . 4349 2 532 . 1 2 114 114 VAL CB C 13 33.1 0.3 . 1 . . . . . . . . 4349 2 533 . 1 2 114 114 VAL N N 15 132.5 0.3 . 1 . . . . . . . . 4349 2 534 . 1 2 115 115 THR H H 1 8.35 0.04 . 1 . . . . . . . . 4349 2 535 . 1 2 115 115 THR HA H 1 4.3 0.04 . 1 . . . . . . . . 4349 2 536 . 1 2 115 115 THR C C 13 174.7 0.5 . 1 . . . . . . . . 4349 2 537 . 1 2 115 115 THR CA C 13 61.7 0.3 . 1 . . . . . . . . 4349 2 538 . 1 2 115 115 THR CB C 13 70 0.3 . 1 . . . . . . . . 4349 2 539 . 1 2 115 115 THR N N 15 125.8 0.3 . 1 . . . . . . . . 4349 2 540 . 1 2 116 116 VAL H H 1 9.7 0.04 . 1 . . . . . . . . 4349 2 541 . 1 2 116 116 VAL HA H 1 5.51 0.04 . 1 . . . . . . . . 4349 2 542 . 1 2 116 116 VAL C C 13 175.4 0.5 . 1 . . . . . . . . 4349 2 543 . 1 2 116 116 VAL CA C 13 55.1 0.3 . 1 . . . . . . . . 4349 2 544 . 1 2 116 116 VAL CB C 13 31.9 0.3 . 1 . . . . . . . . 4349 2 545 . 1 2 116 116 VAL N N 15 130.5 0.3 . 1 . . . . . . . . 4349 2 546 . 1 2 117 117 SER H H 1 8.46 0.04 . 1 . . . . . . . . 4349 2 547 . 1 2 117 117 SER HA H 1 4.47 0.04 . 1 . . . . . . . . 4349 2 548 . 1 2 117 117 SER CA C 13 58.5 0.3 . 1 . . . . . . . . 4349 2 549 . 1 2 117 117 SER CB C 13 71.5 0.3 . 1 . . . . . . . . 4349 2 550 . 1 2 117 117 SER N N 15 116.8 0.3 . 1 . . . . . . . . 4349 2 stop_ save_