data_4171 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4171 _Entry.Title ; Backbone and C beta Assignments of the Anti-gp120 Antibody Fv Fragment Complexed with an Antigenic Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-08-03 _Entry.Accession_date 1998-08-03 _Entry.Last_release_date 2000-03-02 _Entry.Original_release_date 2000-03-02 _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 ; The assignment are reported for the Fv complexed with an antigenic peptide comprising the full epitope of the V3 loop of gp120 (HIV-1). Only the backbone chemical shifts of the isotope- labelled Fv are submitted. The unlabeled peptide is being currently assigned and investigated by isotope-filtering NMR techniques. The Fv consists of two non-covalently linked chains marked in this submission by segments L (light chain) and H (heavy chain). The chemical shifts of the two chains are given in separate loops. The numbering of the residues for the whole Fv may be either sequential (1-231) or chain-specific: 1-112 for the light chain and 1-119 for the heavy chain. The second type of numbering is submitted as the author sequence code. ; _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 Vitali Tugarinov . . . 4171 2 Rina Levy . . . 4171 3 Adi Dahan-Shokoroy . . . 4171 4 Jacob Anglister . . . 4171 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4171 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 4171 '15N chemical shifts' 208 4171 '1H chemical shifts' 449 4171 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 . . 2000-03-02 1998-08-06 original author . 4171 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4171 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99169966 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Backbone and C beta Assignments of the Anti-gp120 Antibody Fv Fragment Complexed with an Antigenic Peptide ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _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 193 _Citation.Page_last 194 _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 Vitali Tugarinov . . . 4171 1 2 Rina Levy . . . 4171 1 3 Adi Dahan-Shokoroy . . . 4171 1 4 Jacob Anglister . . . 4171 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'anti-gp120 antibody' 4171 1 'Heteronuclear NMR' 4171 1 'Resonance Assignments' 4171 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4171 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7538073 _Citation.Full_citation ; Zvi, A., Kustanovich, I., Levy, R., Matsushita, M., Richalet-Secordel, P., Regenmortel, M. H. V., and Anglister, J., "Mapping of the Antigenic Determinant Recognized by an Anti-Gp120 HIV Neutralizing Antibody by Two-Dimensional NMR. Eur. J. Biochem. 119: 178-187 (1995). ; _Citation.Title 'NMR mapping of the antigenic determinant recognized by an anti-gp120, human immunodeficiency virus neutralizing antibody.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European journal of biochemistry / FEBS' _Citation.Journal_volume 229 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-2956 _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 178 _Citation.Page_last 187 _Citation.Year 1995 _Citation.Details ; The 24-amino-acid peptide RP135 (NNTRKSIRIQRGPGRAFVTIGKIG) corresponds in its amino acid sequence to the principal neutralizing determinant of the human immunodeficiency virus type-1, IIIB isolate (HIV-1IIIB, residues 308-331 of the envelope glycoprotein gp120). In order to map the antigenic determinant recognized by 0.5 beta, the complex of RP135 with an anti-gp120 HIV neutralizing antibody, 0.5 beta, which cross reacts with the peptide, was studied by using two-dimensional NMR spectroscopy. A combination of homonuclear Hartmann Hahn two-dimensional experiment and roating-frame Overhauser enhancement spectroscopy of the Fab/peptide complex measured in H2O was used to eliminate the resonances of the Fab and the tightly bound peptide residues and to obtain sequential assignments for those parts of the peptide which retain considerable mobility upon binding. In this manner, a total of 14 residues (Ser6-Thr19) were shown to be part of the antigenic determinant recognized by the antibody 0.5 beta. Lys5 and Ile20 were found to retain considerable mobility in the bound peptide while their amide protons undergo significant change in chemical shift upon binding. This observation suggests that these two residues are at the boundaries of the determinant recognized by the antibody. Competitive binding experiments using truncated peptides strongly support the NMR observations. ; 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 A Zvi A. . . 4171 2 2 I Kustanovich I. . . 4171 2 3 D Feigelson D. . . 4171 2 4 R Levy R. . . 4171 2 5 M Eisenstein M. . . 4171 2 6 S Matsushita S. . . 4171 2 7 P Richalet-Secordel P. . . 4171 2 8 'M H' Regenmortel M. H. . 4171 2 9 J Anglister J. . . 4171 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_0.5bFv _Assembly.Sf_category assembly _Assembly.Sf_framecode system_0.5bFv _Assembly.Entry_ID 4171 _Assembly.ID 1 _Assembly.Name '0.5b antibody Fv - V3 antigen' _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 'all disulfide bound' _Assembly.Molecular_mass 27872 _Assembly.Enzyme_commission_number . _Assembly.Details 'System MW is the MW of the labeled Fv + unlabeled peptide' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4171 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 FvL 1 $FvL . . . native . . . . . 4171 1 2 FvH 2 $FvH . . . native . . . . . 4171 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 . 1 . . CYS 23 23 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 4171 1 2 disulfide single . 2 . . CYS 22 22 SG . 2 . 2 CYS 96 96 SG . . . . . . . . . . 4171 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 23 23 HG . . . . 4171 1 2 . 1 1 CYS 92 92 HG . . . . 4171 1 3 . 2 2 CYS 22 22 HG . . . . 4171 1 4 . 2 2 CYS 96 96 HG . . . . 4171 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 1QNZ . 'Chain L, Nmr Structure Of The 0.5b Anti-Hiv Antibody Complex With The Gp120 V3 Peptide' . . . . 4171 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '0.5b antibody Fv - V3 antigen' system 4171 1 0.5bFv/P1053 abbreviation 4171 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FvL _Entity.Sf_category entity _Entity.Sf_framecode FvL _Entity.Entry_ID 4171 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '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 ; DIVLTQSPASLAVSLGQRAT ISCKASQSVDYDGDSYMNWY QQKPGQPPKLLIYAASNLES GIPARFSGSGSRTDFTLNIH PVEEEDAATYYCQQSNEDPF TFGSGTKLEIKR ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1IQW . "Crystal Structure Of The Fab Fragment Of The Mouse Anti- Human Fas Antibody Hfe7a" . . . . . 100.00 218 97.32 97.32 5.46e-72 . . . . 4171 1 2 no PDB 1QNZ . "Nmr Structure Of The 0.5b Anti-hiv Antibody Complex With The Gp120 V3 Peptide" . . . . . 100.00 112 100.00 100.00 2.18e-76 . . . . 4171 1 3 no DBJ BAH95819 . "immunoglobulin light chain variable region [Mus musculus]" . . . . . 86.61 97 96.91 96.91 2.07e-61 . . . . 4171 1 4 no EMBL CAA75909 . "variable region of immunoglobulin kappa light chain [Mus musculus]" . . . . . 88.39 119 98.99 98.99 2.28e-64 . . . . 4171 1 5 no EMBL CAA80931 . "immunoglobulin kappa light chain [Mus musculus]" . . . . . 80.36 90 98.89 98.89 7.31e-58 . . . . 4171 1 6 no EMBL CAA80933 . "immunoglobulin kappa light chain [Mus musculus]" . . . . . 78.57 88 98.86 98.86 1.28e-56 . . . . 4171 1 7 no EMBL CAA80935 . "immunoglobulin kappa light chain [Mus musculus]" . . . . . 75.89 85 98.82 98.82 1.49e-54 . . . . 4171 1 8 no EMBL CAA80937 . "immunoglobulin kappa light chain [Mus musculus]" . . . . . 77.68 87 98.85 98.85 6.64e-56 . . . . 4171 1 9 no GB AAA39088 . "immunoglobulin light chain, partial [Mus musculus domesticus]" . . . . . 99.11 111 100.00 100.00 1.94e-75 . . . . 4171 1 10 no GB AAA51113 . "IgK, partial [Mus musculus domesticus]" . . . . . 100.00 117 97.32 98.21 1.60e-73 . . . . 4171 1 11 no GB AAA68538 . "immunoglobulin kappa light chain, variable region, partial [Mus musculus]" . . . . . 67.86 76 97.37 97.37 2.27e-46 . . . . 4171 1 12 no GB AAA68560 . "immunoglobulin kappa light chain variable region, partial [Mus musculus]" . . . . . 86.61 97 96.91 97.94 4.30e-62 . . . . 4171 1 13 no GB AAA83114 . "Ig kappa chain, partial [Mus musculus]" . . . . . 84.82 95 97.89 98.95 6.11e-61 . . . . 4171 1 14 no PIR S42193 . "Ig kappa chain V region - mouse (fragment)" . . . . . 72.32 81 97.53 97.53 1.02e-50 . . . . 4171 1 15 no SP P01665 . "RecName: Full=Ig kappa chain V-III region PC 7043" . . . . . 99.11 111 99.10 99.10 4.30e-74 . . . . 4171 1 16 no SP P01667 . "RecName: Full=Ig kappa chain V-III region PC 6308" . . . . . 99.11 111 97.30 98.20 1.49e-72 . . . . 4171 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FvL abbreviation 4171 1 'light chain' common 4171 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 . 4171 1 2 . ILE . 4171 1 3 . VAL . 4171 1 4 . LEU . 4171 1 5 . THR . 4171 1 6 . GLN . 4171 1 7 . SER . 4171 1 8 . PRO . 4171 1 9 . ALA . 4171 1 10 . SER . 4171 1 11 . LEU . 4171 1 12 . ALA . 4171 1 13 . VAL . 4171 1 14 . SER . 4171 1 15 . LEU . 4171 1 16 . GLY . 4171 1 17 . GLN . 4171 1 18 . ARG . 4171 1 19 . ALA . 4171 1 20 . THR . 4171 1 21 . ILE . 4171 1 22 . SER . 4171 1 23 . CYS . 4171 1 24 . LYS . 4171 1 25 . ALA . 4171 1 26 . SER . 4171 1 27 . GLN . 4171 1 28 . SER . 4171 1 29 . VAL . 4171 1 30 . ASP . 4171 1 31 . TYR . 4171 1 32 . ASP . 4171 1 33 . GLY . 4171 1 34 . ASP . 4171 1 35 . SER . 4171 1 36 . TYR . 4171 1 37 . MET . 4171 1 38 . ASN . 4171 1 39 . TRP . 4171 1 40 . TYR . 4171 1 41 . GLN . 4171 1 42 . GLN . 4171 1 43 . LYS . 4171 1 44 . PRO . 4171 1 45 . GLY . 4171 1 46 . GLN . 4171 1 47 . PRO . 4171 1 48 . PRO . 4171 1 49 . LYS . 4171 1 50 . LEU . 4171 1 51 . LEU . 4171 1 52 . ILE . 4171 1 53 . TYR . 4171 1 54 . ALA . 4171 1 55 . ALA . 4171 1 56 . SER . 4171 1 57 . ASN . 4171 1 58 . LEU . 4171 1 59 . GLU . 4171 1 60 . SER . 4171 1 61 . GLY . 4171 1 62 . ILE . 4171 1 63 . PRO . 4171 1 64 . ALA . 4171 1 65 . ARG . 4171 1 66 . PHE . 4171 1 67 . SER . 4171 1 68 . GLY . 4171 1 69 . SER . 4171 1 70 . GLY . 4171 1 71 . SER . 4171 1 72 . ARG . 4171 1 73 . THR . 4171 1 74 . ASP . 4171 1 75 . PHE . 4171 1 76 . THR . 4171 1 77 . LEU . 4171 1 78 . ASN . 4171 1 79 . ILE . 4171 1 80 . HIS . 4171 1 81 . PRO . 4171 1 82 . VAL . 4171 1 83 . GLU . 4171 1 84 . GLU . 4171 1 85 . GLU . 4171 1 86 . ASP . 4171 1 87 . ALA . 4171 1 88 . ALA . 4171 1 89 . THR . 4171 1 90 . TYR . 4171 1 91 . TYR . 4171 1 92 . CYS . 4171 1 93 . GLN . 4171 1 94 . GLN . 4171 1 95 . SER . 4171 1 96 . ASN . 4171 1 97 . GLU . 4171 1 98 . ASP . 4171 1 99 . PRO . 4171 1 100 . PHE . 4171 1 101 . THR . 4171 1 102 . PHE . 4171 1 103 . GLY . 4171 1 104 . SER . 4171 1 105 . GLY . 4171 1 106 . THR . 4171 1 107 . LYS . 4171 1 108 . LEU . 4171 1 109 . GLU . 4171 1 110 . ILE . 4171 1 111 . LYS . 4171 1 112 . ARG . 4171 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 4171 1 . ILE 2 2 4171 1 . VAL 3 3 4171 1 . LEU 4 4 4171 1 . THR 5 5 4171 1 . GLN 6 6 4171 1 . SER 7 7 4171 1 . PRO 8 8 4171 1 . ALA 9 9 4171 1 . SER 10 10 4171 1 . LEU 11 11 4171 1 . ALA 12 12 4171 1 . VAL 13 13 4171 1 . SER 14 14 4171 1 . LEU 15 15 4171 1 . GLY 16 16 4171 1 . GLN 17 17 4171 1 . ARG 18 18 4171 1 . ALA 19 19 4171 1 . THR 20 20 4171 1 . ILE 21 21 4171 1 . SER 22 22 4171 1 . CYS 23 23 4171 1 . LYS 24 24 4171 1 . ALA 25 25 4171 1 . SER 26 26 4171 1 . GLN 27 27 4171 1 . SER 28 28 4171 1 . VAL 29 29 4171 1 . ASP 30 30 4171 1 . TYR 31 31 4171 1 . ASP 32 32 4171 1 . GLY 33 33 4171 1 . ASP 34 34 4171 1 . SER 35 35 4171 1 . TYR 36 36 4171 1 . MET 37 37 4171 1 . ASN 38 38 4171 1 . TRP 39 39 4171 1 . TYR 40 40 4171 1 . GLN 41 41 4171 1 . GLN 42 42 4171 1 . LYS 43 43 4171 1 . PRO 44 44 4171 1 . GLY 45 45 4171 1 . GLN 46 46 4171 1 . PRO 47 47 4171 1 . PRO 48 48 4171 1 . LYS 49 49 4171 1 . LEU 50 50 4171 1 . LEU 51 51 4171 1 . ILE 52 52 4171 1 . TYR 53 53 4171 1 . ALA 54 54 4171 1 . ALA 55 55 4171 1 . SER 56 56 4171 1 . ASN 57 57 4171 1 . LEU 58 58 4171 1 . GLU 59 59 4171 1 . SER 60 60 4171 1 . GLY 61 61 4171 1 . ILE 62 62 4171 1 . PRO 63 63 4171 1 . ALA 64 64 4171 1 . ARG 65 65 4171 1 . PHE 66 66 4171 1 . SER 67 67 4171 1 . GLY 68 68 4171 1 . SER 69 69 4171 1 . GLY 70 70 4171 1 . SER 71 71 4171 1 . ARG 72 72 4171 1 . THR 73 73 4171 1 . ASP 74 74 4171 1 . PHE 75 75 4171 1 . THR 76 76 4171 1 . LEU 77 77 4171 1 . ASN 78 78 4171 1 . ILE 79 79 4171 1 . HIS 80 80 4171 1 . PRO 81 81 4171 1 . VAL 82 82 4171 1 . GLU 83 83 4171 1 . GLU 84 84 4171 1 . GLU 85 85 4171 1 . ASP 86 86 4171 1 . ALA 87 87 4171 1 . ALA 88 88 4171 1 . THR 89 89 4171 1 . TYR 90 90 4171 1 . TYR 91 91 4171 1 . CYS 92 92 4171 1 . GLN 93 93 4171 1 . GLN 94 94 4171 1 . SER 95 95 4171 1 . ASN 96 96 4171 1 . GLU 97 97 4171 1 . ASP 98 98 4171 1 . PRO 99 99 4171 1 . PHE 100 100 4171 1 . THR 101 101 4171 1 . PHE 102 102 4171 1 . GLY 103 103 4171 1 . SER 104 104 4171 1 . GLY 105 105 4171 1 . THR 106 106 4171 1 . LYS 107 107 4171 1 . LEU 108 108 4171 1 . GLU 109 109 4171 1 . ILE 110 110 4171 1 . LYS 111 111 4171 1 . ARG 112 112 4171 1 stop_ save_ save_FvH _Entity.Sf_category entity _Entity.Sf_framecode FvH _Entity.Entry_ID 4171 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name '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 ; QVQLQQSGAELVKPGASVKM SCKAFGYTFTTYPIEWMKQN HGKSLEWIGNFHPYSDDTNY NEKFKGKAKLTVEKSSSTVY LEFSRLTSDDSAVYYCAIHY GSAYAMDYWGQGTSVTVSS ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _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 FvH abbreviation 4171 2 'heavy chain' common 4171 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 . 4171 2 2 . VAL . 4171 2 3 . GLN . 4171 2 4 . LEU . 4171 2 5 . GLN . 4171 2 6 . GLN . 4171 2 7 . SER . 4171 2 8 . GLY . 4171 2 9 . ALA . 4171 2 10 . GLU . 4171 2 11 . LEU . 4171 2 12 . VAL . 4171 2 13 . LYS . 4171 2 14 . PRO . 4171 2 15 . GLY . 4171 2 16 . ALA . 4171 2 17 . SER . 4171 2 18 . VAL . 4171 2 19 . LYS . 4171 2 20 . MET . 4171 2 21 . SER . 4171 2 22 . CYS . 4171 2 23 . LYS . 4171 2 24 . ALA . 4171 2 25 . PHE . 4171 2 26 . GLY . 4171 2 27 . TYR . 4171 2 28 . THR . 4171 2 29 . PHE . 4171 2 30 . THR . 4171 2 31 . THR . 4171 2 32 . TYR . 4171 2 33 . PRO . 4171 2 34 . ILE . 4171 2 35 . GLU . 4171 2 36 . TRP . 4171 2 37 . MET . 4171 2 38 . LYS . 4171 2 39 . GLN . 4171 2 40 . ASN . 4171 2 41 . HIS . 4171 2 42 . GLY . 4171 2 43 . LYS . 4171 2 44 . SER . 4171 2 45 . LEU . 4171 2 46 . GLU . 4171 2 47 . TRP . 4171 2 48 . ILE . 4171 2 49 . GLY . 4171 2 50 . ASN . 4171 2 51 . PHE . 4171 2 52 . HIS . 4171 2 53 . PRO . 4171 2 54 . TYR . 4171 2 55 . SER . 4171 2 56 . ASP . 4171 2 57 . ASP . 4171 2 58 . THR . 4171 2 59 . ASN . 4171 2 60 . TYR . 4171 2 61 . ASN . 4171 2 62 . GLU . 4171 2 63 . LYS . 4171 2 64 . PHE . 4171 2 65 . LYS . 4171 2 66 . GLY . 4171 2 67 . LYS . 4171 2 68 . ALA . 4171 2 69 . LYS . 4171 2 70 . LEU . 4171 2 71 . THR . 4171 2 72 . VAL . 4171 2 73 . GLU . 4171 2 74 . LYS . 4171 2 75 . SER . 4171 2 76 . SER . 4171 2 77 . SER . 4171 2 78 . THR . 4171 2 79 . VAL . 4171 2 80 . TYR . 4171 2 81 . LEU . 4171 2 82 . GLU . 4171 2 83 . PHE . 4171 2 84 . SER . 4171 2 85 . ARG . 4171 2 86 . LEU . 4171 2 87 . THR . 4171 2 88 . SER . 4171 2 89 . ASP . 4171 2 90 . ASP . 4171 2 91 . SER . 4171 2 92 . ALA . 4171 2 93 . VAL . 4171 2 94 . TYR . 4171 2 95 . TYR . 4171 2 96 . CYS . 4171 2 97 . ALA . 4171 2 98 . ILE . 4171 2 99 . HIS . 4171 2 100 . TYR . 4171 2 101 . GLY . 4171 2 102 . SER . 4171 2 103 . ALA . 4171 2 104 . TYR . 4171 2 105 . ALA . 4171 2 106 . MET . 4171 2 107 . ASP . 4171 2 108 . TYR . 4171 2 109 . TRP . 4171 2 110 . GLY . 4171 2 111 . GLN . 4171 2 112 . GLY . 4171 2 113 . THR . 4171 2 114 . SER . 4171 2 115 . VAL . 4171 2 116 . THR . 4171 2 117 . VAL . 4171 2 118 . SER . 4171 2 119 . SER . 4171 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 4171 2 . VAL 2 2 4171 2 . GLN 3 3 4171 2 . LEU 4 4 4171 2 . GLN 5 5 4171 2 . GLN 6 6 4171 2 . SER 7 7 4171 2 . GLY 8 8 4171 2 . ALA 9 9 4171 2 . GLU 10 10 4171 2 . LEU 11 11 4171 2 . VAL 12 12 4171 2 . LYS 13 13 4171 2 . PRO 14 14 4171 2 . GLY 15 15 4171 2 . ALA 16 16 4171 2 . SER 17 17 4171 2 . VAL 18 18 4171 2 . LYS 19 19 4171 2 . MET 20 20 4171 2 . SER 21 21 4171 2 . CYS 22 22 4171 2 . LYS 23 23 4171 2 . ALA 24 24 4171 2 . PHE 25 25 4171 2 . GLY 26 26 4171 2 . TYR 27 27 4171 2 . THR 28 28 4171 2 . PHE 29 29 4171 2 . THR 30 30 4171 2 . THR 31 31 4171 2 . TYR 32 32 4171 2 . PRO 33 33 4171 2 . ILE 34 34 4171 2 . GLU 35 35 4171 2 . TRP 36 36 4171 2 . MET 37 37 4171 2 . LYS 38 38 4171 2 . GLN 39 39 4171 2 . ASN 40 40 4171 2 . HIS 41 41 4171 2 . GLY 42 42 4171 2 . LYS 43 43 4171 2 . SER 44 44 4171 2 . LEU 45 45 4171 2 . GLU 46 46 4171 2 . TRP 47 47 4171 2 . ILE 48 48 4171 2 . GLY 49 49 4171 2 . ASN 50 50 4171 2 . PHE 51 51 4171 2 . HIS 52 52 4171 2 . PRO 53 53 4171 2 . TYR 54 54 4171 2 . SER 55 55 4171 2 . ASP 56 56 4171 2 . ASP 57 57 4171 2 . THR 58 58 4171 2 . ASN 59 59 4171 2 . TYR 60 60 4171 2 . ASN 61 61 4171 2 . GLU 62 62 4171 2 . LYS 63 63 4171 2 . PHE 64 64 4171 2 . LYS 65 65 4171 2 . GLY 66 66 4171 2 . LYS 67 67 4171 2 . ALA 68 68 4171 2 . LYS 69 69 4171 2 . LEU 70 70 4171 2 . THR 71 71 4171 2 . VAL 72 72 4171 2 . GLU 73 73 4171 2 . LYS 74 74 4171 2 . SER 75 75 4171 2 . SER 76 76 4171 2 . SER 77 77 4171 2 . THR 78 78 4171 2 . VAL 79 79 4171 2 . TYR 80 80 4171 2 . LEU 81 81 4171 2 . GLU 82 82 4171 2 . PHE 83 83 4171 2 . SER 84 84 4171 2 . ARG 85 85 4171 2 . LEU 86 86 4171 2 . THR 87 87 4171 2 . SER 88 88 4171 2 . ASP 89 89 4171 2 . ASP 90 90 4171 2 . SER 91 91 4171 2 . ALA 92 92 4171 2 . VAL 93 93 4171 2 . TYR 94 94 4171 2 . TYR 95 95 4171 2 . CYS 96 96 4171 2 . ALA 97 97 4171 2 . ILE 98 98 4171 2 . HIS 99 99 4171 2 . TYR 100 100 4171 2 . GLY 101 101 4171 2 . SER 102 102 4171 2 . ALA 103 103 4171 2 . TYR 104 104 4171 2 . ALA 105 105 4171 2 . MET 106 106 4171 2 . ASP 107 107 4171 2 . TYR 108 108 4171 2 . TRP 109 109 4171 2 . GLY 110 110 4171 2 . GLN 111 111 4171 2 . GLY 112 112 4171 2 . THR 113 113 4171 2 . SER 114 114 4171 2 . VAL 115 115 4171 2 . THR 116 116 4171 2 . VAL 117 117 4171 2 . SER 118 118 4171 2 . SER 119 119 4171 2 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 4171 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FvL . 10090 . . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4171 1 2 2 $FvH . 10090 . . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4171 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 4171 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FvL . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pTb11 . . . . . . 4171 1 2 2 $FvH . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pTb11 . . . . . . 4171 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4171 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'light chain' '[U-95% 13C; U-95% 15N]' . . 1 $FvL . . 0.6 . . mM . . . . 4171 1 2 'heavy chain' '[U-95% 13C; U-95% 15N]' . . 2 $FvH . . 0.6 . . mM . . . . 4171 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4171 _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 7.2 0.05 n/a 4171 1 temperature 310 0.05 K 4171 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4171 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600.13 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4171 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500.13 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4171 _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 NMR_spectrometer_1 Bruker DMX . 600.13 . . . 4171 1 2 NMR_spectrometer_2 Bruker DMX . 500.13 . . . 4171 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 4171 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4171 _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 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.25144954 . . . . . . . . . 4171 1 H 1 H20 protons . . . . ppm 0.00 . indirect . . . . . . . . . . 4171 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.10132914 . . . . . . . . . 4171 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4171 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4171 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 4171 1 2 . 1 1 1 1 ASP C C 13 172.6 0.15 . 1 . . . . . . . . 4171 1 3 . 1 1 1 1 ASP CA C 13 53.2 0.15 . 1 . . . . . . . . 4171 1 4 . 1 1 2 2 ILE H H 1 8.90 0.02 . 1 . . . . . . . . 4171 1 5 . 1 1 2 2 ILE HA H 1 3.79 0.02 . 1 . . . . . . . . 4171 1 6 . 1 1 2 2 ILE C C 13 175.1 0.15 . 1 . . . . . . . . 4171 1 7 . 1 1 2 2 ILE CA C 13 63.0 0.15 . 1 . . . . . . . . 4171 1 8 . 1 1 2 2 ILE N N 15 122.5 0.15 . 1 . . . . . . . . 4171 1 9 . 1 1 3 3 VAL H H 1 8.62 0.02 . 1 . . . . . . . . 4171 1 10 . 1 1 3 3 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4171 1 11 . 1 1 3 3 VAL C C 13 176.1 0.15 . 1 . . . . . . . . 4171 1 12 . 1 1 3 3 VAL CA C 13 62.4 0.15 . 1 . . . . . . . . 4171 1 13 . 1 1 3 3 VAL N N 15 131.2 0.15 . 1 . . . . . . . . 4171 1 14 . 1 1 4 4 LEU H H 1 9.14 0.02 . 1 . . . . . . . . 4171 1 15 . 1 1 4 4 LEU HA H 1 5.32 0.02 . 1 . . . . . . . . 4171 1 16 . 1 1 4 4 LEU C C 13 176.6 0.15 . 1 . . . . . . . . 4171 1 17 . 1 1 4 4 LEU CA C 13 53.1 0.15 . 1 . . . . . . . . 4171 1 18 . 1 1 4 4 LEU N N 15 130.1 0.15 . 1 . . . . . . . . 4171 1 19 . 1 1 5 5 THR H H 1 9.44 0.02 . 1 . . . . . . . . 4171 1 20 . 1 1 5 5 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 4171 1 21 . 1 1 5 5 THR CA C 13 61.7 0.15 . 1 . . . . . . . . 4171 1 22 . 1 1 5 5 THR N N 15 120.2 0.15 . 1 . . . . . . . . 4171 1 23 . 1 1 6 6 GLN C C 13 174.9 0.15 . 1 . . . . . . . . 4171 1 24 . 1 1 6 6 GLN CA C 13 54.6 0.15 . 1 . . . . . . . . 4171 1 25 . 1 1 7 7 SER H H 1 8.77 0.02 . 1 . . . . . . . . 4171 1 26 . 1 1 7 7 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 4171 1 27 . 1 1 7 7 SER CA C 13 55.5 0.15 . 1 . . . . . . . . 4171 1 28 . 1 1 7 7 SER N N 15 117.9 0.15 . 1 . . . . . . . . 4171 1 29 . 1 1 9 9 ALA HA H 1 4.60 0.02 . 1 . . . . . . . . 4171 1 30 . 1 1 9 9 ALA C C 13 178.9 0.15 . 1 . . . . . . . . 4171 1 31 . 1 1 9 9 ALA CA C 13 54.7 0.15 . 1 . . . . . . . . 4171 1 32 . 1 1 10 10 SER H H 1 7.77 0.02 . 1 . . . . . . . . 4171 1 33 . 1 1 10 10 SER HA H 1 5.24 0.02 . 1 . . . . . . . . 4171 1 34 . 1 1 10 10 SER C C 13 171.9 0.15 . 1 . . . . . . . . 4171 1 35 . 1 1 10 10 SER CA C 13 56.8 0.15 . 1 . . . . . . . . 4171 1 36 . 1 1 10 10 SER N N 15 110.9 0.15 . 1 . . . . . . . . 4171 1 37 . 1 1 11 11 LEU H H 1 8.92 0.02 . 1 . . . . . . . . 4171 1 38 . 1 1 11 11 LEU HA H 1 4.64 0.02 . 1 . . . . . . . . 4171 1 39 . 1 1 11 11 LEU C C 13 173.0 0.15 . 1 . . . . . . . . 4171 1 40 . 1 1 11 11 LEU CA C 13 54.7 0.15 . 1 . . . . . . . . 4171 1 41 . 1 1 11 11 LEU N N 15 124.9 0.15 . 1 . . . . . . . . 4171 1 42 . 1 1 12 12 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 4171 1 43 . 1 1 12 12 ALA HA H 1 5.48 0.02 . 1 . . . . . . . . 4171 1 44 . 1 1 12 12 ALA C C 13 176.5 0.15 . 1 . . . . . . . . 4171 1 45 . 1 1 12 12 ALA CA C 13 50.2 0.15 . 1 . . . . . . . . 4171 1 46 . 1 1 12 12 ALA N N 15 128.1 0.15 . 1 . . . . . . . . 4171 1 47 . 1 1 13 13 VAL H H 1 8.46 0.02 . 1 . . . . . . . . 4171 1 48 . 1 1 13 13 VAL HA H 1 4.62 0.02 . 1 . . . . . . . . 4171 1 49 . 1 1 13 13 VAL C C 13 174.6 0.15 . 1 . . . . . . . . 4171 1 50 . 1 1 13 13 VAL CA C 13 59.1 0.15 . 1 . . . . . . . . 4171 1 51 . 1 1 13 13 VAL N N 15 118.8 0.15 . 1 . . . . . . . . 4171 1 52 . 1 1 14 14 SER H H 1 8.53 0.02 . 1 . . . . . . . . 4171 1 53 . 1 1 14 14 SER HA H 1 4.78 0.02 . 1 . . . . . . . . 4171 1 54 . 1 1 14 14 SER C C 13 173.7 0.15 . 1 . . . . . . . . 4171 1 55 . 1 1 14 14 SER CA C 13 58.5 0.15 . 1 . . . . . . . . 4171 1 56 . 1 1 14 14 SER N N 15 120.5 0.15 . 1 . . . . . . . . 4171 1 57 . 1 1 15 15 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 4171 1 58 . 1 1 15 15 LEU HA H 1 3.72 0.02 . 1 . . . . . . . . 4171 1 59 . 1 1 15 15 LEU C C 13 178.6 0.15 . 1 . . . . . . . . 4171 1 60 . 1 1 15 15 LEU CA C 13 56.6 0.15 . 1 . . . . . . . . 4171 1 61 . 1 1 15 15 LEU N N 15 121.4 0.15 . 1 . . . . . . . . 4171 1 62 . 1 1 16 16 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 4171 1 63 . 1 1 16 16 GLY HA2 H 1 3.58 0.02 . 1 . . . . . . . . 4171 1 64 . 1 1 16 16 GLY HA3 H 1 4.34 0.02 . 1 . . . . . . . . 4171 1 65 . 1 1 16 16 GLY C C 13 173.9 0.15 . 1 . . . . . . . . 4171 1 66 . 1 1 16 16 GLY CA C 13 45.2 0.15 . 1 . . . . . . . . 4171 1 67 . 1 1 16 16 GLY N N 15 110.7 0.15 . 1 . . . . . . . . 4171 1 68 . 1 1 17 17 GLN H H 1 7.53 0.02 . 1 . . . . . . . . 4171 1 69 . 1 1 17 17 GLN HA H 1 4.56 0.02 . 1 . . . . . . . . 4171 1 70 . 1 1 17 17 GLN C C 13 173.5 0.15 . 1 . . . . . . . . 4171 1 71 . 1 1 17 17 GLN CA C 13 55.0 0.15 . 1 . . . . . . . . 4171 1 72 . 1 1 17 17 GLN N N 15 117.6 0.15 . 1 . . . . . . . . 4171 1 73 . 1 1 18 18 ARG H H 1 7.97 0.02 . 1 . . . . . . . . 4171 1 74 . 1 1 18 18 ARG HA H 1 5.21 0.02 . 1 . . . . . . . . 4171 1 75 . 1 1 18 18 ARG C C 13 175.2 0.15 . 1 . . . . . . . . 4171 1 76 . 1 1 18 18 ARG CA C 13 54.8 0.15 . 1 . . . . . . . . 4171 1 77 . 1 1 18 18 ARG N N 15 118.8 0.15 . 1 . . . . . . . . 4171 1 78 . 1 1 19 19 ALA H H 1 9.05 0.02 . 1 . . . . . . . . 4171 1 79 . 1 1 19 19 ALA HA H 1 4.71 0.02 . 1 . . . . . . . . 4171 1 80 . 1 1 19 19 ALA C C 13 175.5 0.15 . 1 . . . . . . . . 4171 1 81 . 1 1 19 19 ALA CA C 13 50.2 0.15 . 1 . . . . . . . . 4171 1 82 . 1 1 19 19 ALA N N 15 127.9 0.15 . 1 . . . . . . . . 4171 1 83 . 1 1 20 20 THR H H 1 7.78 0.02 . 1 . . . . . . . . 4171 1 84 . 1 1 20 20 THR HA H 1 4.94 0.02 . 1 . . . . . . . . 4171 1 85 . 1 1 20 20 THR C C 13 172.7 0.15 . 1 . . . . . . . . 4171 1 86 . 1 1 20 20 THR CA C 13 62.1 0.15 . 1 . . . . . . . . 4171 1 87 . 1 1 20 20 THR N N 15 117.6 0.15 . 1 . . . . . . . . 4171 1 88 . 1 1 21 21 ILE H H 1 9.04 0.02 . 1 . . . . . . . . 4171 1 89 . 1 1 21 21 ILE HA H 1 4.38 0.02 . 1 . . . . . . . . 4171 1 90 . 1 1 21 21 ILE C C 13 174.0 0.15 . 1 . . . . . . . . 4171 1 91 . 1 1 21 21 ILE CA C 13 61.0 0.15 . 1 . . . . . . . . 4171 1 92 . 1 1 21 21 ILE N N 15 127.6 0.15 . 1 . . . . . . . . 4171 1 93 . 1 1 22 22 SER H H 1 9.00 0.02 . 1 . . . . . . . . 4171 1 94 . 1 1 22 22 SER HA H 1 5.56 0.02 . 1 . . . . . . . . 4171 1 95 . 1 1 22 22 SER C C 13 174.0 0.15 . 1 . . . . . . . . 4171 1 96 . 1 1 22 22 SER CA C 13 57.8 0.15 . 1 . . . . . . . . 4171 1 97 . 1 1 22 22 SER N N 15 120.1 0.15 . 1 . . . . . . . . 4171 1 98 . 1 1 23 23 CYS H H 1 9.30 0.02 . 1 . . . . . . . . 4171 1 99 . 1 1 23 23 CYS HA H 1 5.23 0.02 . 1 . . . . . . . . 4171 1 100 . 1 1 23 23 CYS C C 13 171.8 0.15 . 1 . . . . . . . . 4171 1 101 . 1 1 23 23 CYS CA C 13 56.5 0.15 . 1 . . . . . . . . 4171 1 102 . 1 1 23 23 CYS N N 15 123.4 0.15 . 1 . . . . . . . . 4171 1 103 . 1 1 24 24 LYS H H 1 8.83 0.02 . 1 . . . . . . . . 4171 1 104 . 1 1 24 24 LYS HA H 1 5.66 0.02 . 1 . . . . . . . . 4171 1 105 . 1 1 24 24 LYS C C 13 175.3 0.15 . 1 . . . . . . . . 4171 1 106 . 1 1 24 24 LYS CA C 13 54.0 0.15 . 1 . . . . . . . . 4171 1 107 . 1 1 24 24 LYS N N 15 127.7 0.15 . 1 . . . . . . . . 4171 1 108 . 1 1 25 25 ALA H H 1 9.47 0.02 . 1 . . . . . . . . 4171 1 109 . 1 1 25 25 ALA HA H 1 5.35 0.02 . 1 . . . . . . . . 4171 1 110 . 1 1 25 25 ALA C C 13 178.1 0.15 . 1 . . . . . . . . 4171 1 111 . 1 1 25 25 ALA CA C 13 50.0 0.15 . 1 . . . . . . . . 4171 1 112 . 1 1 25 25 ALA N N 15 128.0 0.15 . 1 . . . . . . . . 4171 1 113 . 1 1 26 26 SER H H 1 8.46 0.02 . 1 . . . . . . . . 4171 1 114 . 1 1 26 26 SER HA H 1 4.14 0.02 . 1 . . . . . . . . 4171 1 115 . 1 1 26 26 SER C C 13 173.4 0.15 . 1 . . . . . . . . 4171 1 116 . 1 1 26 26 SER CA C 13 60.5 0.15 . 1 . . . . . . . . 4171 1 117 . 1 1 26 26 SER N N 15 114.4 0.15 . 1 . . . . . . . . 4171 1 118 . 1 1 27 27 GLN H H 1 7.34 0.02 . 1 . . . . . . . . 4171 1 119 . 1 1 27 27 GLN HA H 1 4.43 0.02 . 1 . . . . . . . . 4171 1 120 . 1 1 27 27 GLN C C 13 172.7 0.15 . 1 . . . . . . . . 4171 1 121 . 1 1 27 27 GLN CA C 13 53.8 0.15 . 1 . . . . . . . . 4171 1 122 . 1 1 27 27 GLN N N 15 116.9 0.15 . 1 . . . . . . . . 4171 1 123 . 1 1 28 28 SER H H 1 8.30 0.02 . 1 . . . . . . . . 4171 1 124 . 1 1 28 28 SER HA H 1 4.00 0.02 . 1 . . . . . . . . 4171 1 125 . 1 1 28 28 SER C C 13 176.3 0.15 . 1 . . . . . . . . 4171 1 126 . 1 1 28 28 SER CA C 13 57.9 0.15 . 1 . . . . . . . . 4171 1 127 . 1 1 28 28 SER N N 15 110.7 0.15 . 1 . . . . . . . . 4171 1 128 . 1 1 29 29 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 4171 1 129 . 1 1 29 29 VAL HA H 1 4.53 0.02 . 1 . . . . . . . . 4171 1 130 . 1 1 29 29 VAL C C 13 176.3 0.15 . 1 . . . . . . . . 4171 1 131 . 1 1 29 29 VAL CA C 13 59.8 0.15 . 1 . . . . . . . . 4171 1 132 . 1 1 29 29 VAL N N 15 116.5 0.15 . 1 . . . . . . . . 4171 1 133 . 1 1 30 30 ASP H H 1 8.15 0.02 . 1 . . . . . . . . 4171 1 134 . 1 1 30 30 ASP HA H 1 5.67 0.02 . 1 . . . . . . . . 4171 1 135 . 1 1 30 30 ASP C C 13 176.8 0.15 . 1 . . . . . . . . 4171 1 136 . 1 1 30 30 ASP CA C 13 54.3 0.15 . 1 . . . . . . . . 4171 1 137 . 1 1 30 30 ASP N N 15 127.3 0.15 . 1 . . . . . . . . 4171 1 138 . 1 1 31 31 TYR H H 1 9.52 0.02 . 1 . . . . . . . . 4171 1 139 . 1 1 31 31 TYR HA H 1 4.55 0.02 . 1 . . . . . . . . 4171 1 140 . 1 1 31 31 TYR C C 13 176.5 0.15 . 1 . . . . . . . . 4171 1 141 . 1 1 31 31 TYR CA C 13 59.1 0.15 . 1 . . . . . . . . 4171 1 142 . 1 1 31 31 TYR N N 15 122.4 0.15 . 1 . . . . . . . . 4171 1 143 . 1 1 32 32 ASP H H 1 8.86 0.02 . 1 . . . . . . . . 4171 1 144 . 1 1 32 32 ASP HA H 1 4.03 0.02 . 1 . . . . . . . . 4171 1 145 . 1 1 32 32 ASP C C 13 174.9 0.15 . 1 . . . . . . . . 4171 1 146 . 1 1 32 32 ASP CA C 13 54.7 0.15 . 1 . . . . . . . . 4171 1 147 . 1 1 32 32 ASP N N 15 130.6 0.15 . 1 . . . . . . . . 4171 1 148 . 1 1 33 33 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 4171 1 149 . 1 1 33 33 GLY HA2 H 1 3.57 0.02 . 1 . . . . . . . . 4171 1 150 . 1 1 33 33 GLY HA3 H 1 4.20 0.02 . 1 . . . . . . . . 4171 1 151 . 1 1 33 33 GLY C C 13 175.6 0.15 . 1 . . . . . . . . 4171 1 152 . 1 1 33 33 GLY CA C 13 45.5 0.15 . 1 . . . . . . . . 4171 1 153 . 1 1 33 33 GLY N N 15 103.2 0.15 . 1 . . . . . . . . 4171 1 154 . 1 1 34 34 ASP H H 1 7.89 0.02 . 1 . . . . . . . . 4171 1 155 . 1 1 34 34 ASP HA H 1 5.09 0.02 . 1 . . . . . . . . 4171 1 156 . 1 1 34 34 ASP C C 13 175.1 0.15 . 1 . . . . . . . . 4171 1 157 . 1 1 34 34 ASP CA C 13 52.9 0.15 . 1 . . . . . . . . 4171 1 158 . 1 1 34 34 ASP N N 15 118.9 0.15 . 1 . . . . . . . . 4171 1 159 . 1 1 35 35 SER H H 1 9.01 0.02 . 1 . . . . . . . . 4171 1 160 . 1 1 35 35 SER HA H 1 5.03 0.02 . 1 . . . . . . . . 4171 1 161 . 1 1 35 35 SER C C 13 174.2 0.15 . 1 . . . . . . . . 4171 1 162 . 1 1 35 35 SER CA C 13 58.0 0.15 . 1 . . . . . . . . 4171 1 163 . 1 1 35 35 SER N N 15 117.3 0.15 . 1 . . . . . . . . 4171 1 164 . 1 1 36 36 TYR H H 1 8.30 0.02 . 1 . . . . . . . . 4171 1 165 . 1 1 36 36 TYR HA H 1 3.98 0.02 . 1 . . . . . . . . 4171 1 166 . 1 1 36 36 TYR C C 13 174.1 0.15 . 1 . . . . . . . . 4171 1 167 . 1 1 36 36 TYR CA C 13 58.4 0.15 . 1 . . . . . . . . 4171 1 168 . 1 1 36 36 TYR N N 15 128.6 0.15 . 1 . . . . . . . . 4171 1 169 . 1 1 37 37 MET H H 1 7.04 0.02 . 1 . . . . . . . . 4171 1 170 . 1 1 37 37 MET HA H 1 4.87 0.02 . 1 . . . . . . . . 4171 1 171 . 1 1 37 37 MET C C 13 173.0 0.15 . 1 . . . . . . . . 4171 1 172 . 1 1 37 37 MET CA C 13 52.6 0.15 . 1 . . . . . . . . 4171 1 173 . 1 1 37 37 MET N N 15 120.2 0.15 . 1 . . . . . . . . 4171 1 174 . 1 1 38 38 ASN H H 1 9.09 0.02 . 1 . . . . . . . . 4171 1 175 . 1 1 38 38 ASN HA H 1 5.25 0.02 . 1 . . . . . . . . 4171 1 176 . 1 1 38 38 ASN C C 13 173.2 0.15 . 1 . . . . . . . . 4171 1 177 . 1 1 38 38 ASN CA C 13 50.7 0.15 . 1 . . . . . . . . 4171 1 178 . 1 1 38 38 ASN N N 15 125.1 0.15 . 1 . . . . . . . . 4171 1 179 . 1 1 39 39 TRP H H 1 8.74 0.02 . 1 . . . . . . . . 4171 1 180 . 1 1 39 39 TRP HA H 1 5.61 0.02 . 1 . . . . . . . . 4171 1 181 . 1 1 39 39 TRP C C 13 175.3 0.15 . 1 . . . . . . . . 4171 1 182 . 1 1 39 39 TRP CA C 13 55.7 0.15 . 1 . . . . . . . . 4171 1 183 . 1 1 39 39 TRP N N 15 115.4 0.15 . 1 . . . . . . . . 4171 1 184 . 1 1 40 40 TYR H H 1 9.53 0.02 . 1 . . . . . . . . 4171 1 185 . 1 1 40 40 TYR HA H 1 5.36 0.02 . 1 . . . . . . . . 4171 1 186 . 1 1 40 40 TYR C C 13 174.2 0.15 . 1 . . . . . . . . 4171 1 187 . 1 1 40 40 TYR CA C 13 56.3 0.15 . 1 . . . . . . . . 4171 1 188 . 1 1 40 40 TYR N N 15 118.0 0.15 . 1 . . . . . . . . 4171 1 189 . 1 1 41 41 GLN H H 1 9.31 0.02 . 1 . . . . . . . . 4171 1 190 . 1 1 41 41 GLN HA H 1 4.36 0.02 . 1 . . . . . . . . 4171 1 191 . 1 1 41 41 GLN C C 13 174.0 0.15 . 1 . . . . . . . . 4171 1 192 . 1 1 41 41 GLN CA C 13 53.5 0.15 . 1 . . . . . . . . 4171 1 193 . 1 1 41 41 GLN N N 15 122.0 0.15 . 1 . . . . . . . . 4171 1 194 . 1 1 42 42 GLN H H 1 9.67 0.02 . 1 . . . . . . . . 4171 1 195 . 1 1 42 42 GLN HA H 1 4.83 0.02 . 1 . . . . . . . . 4171 1 196 . 1 1 42 42 GLN C C 13 174.6 0.15 . 1 . . . . . . . . 4171 1 197 . 1 1 42 42 GLN CA C 13 55.0 0.15 . 1 . . . . . . . . 4171 1 198 . 1 1 42 42 GLN N N 15 127.9 0.15 . 1 . . . . . . . . 4171 1 199 . 1 1 43 43 LYS H H 1 8.75 0.02 . 1 . . . . . . . . 4171 1 200 . 1 1 43 43 LYS HA H 1 4.61 0.02 . 1 . . . . . . . . 4171 1 201 . 1 1 43 43 LYS CA C 13 54.2 0.15 . 1 . . . . . . . . 4171 1 202 . 1 1 43 43 LYS N N 15 132.2 0.15 . 1 . . . . . . . . 4171 1 203 . 1 1 45 45 GLY HA2 H 1 3.79 0.02 . 1 . . . . . . . . 4171 1 204 . 1 1 45 45 GLY HA3 H 1 4.11 0.02 . 1 . . . . . . . . 4171 1 205 . 1 1 45 45 GLY C C 13 173.9 0.15 . 1 . . . . . . . . 4171 1 206 . 1 1 45 45 GLY CA C 13 45.2 0.15 . 1 . . . . . . . . 4171 1 207 . 1 1 46 46 GLN H H 1 7.93 0.02 . 1 . . . . . . . . 4171 1 208 . 1 1 46 46 GLN HA H 1 4.92 0.02 . 1 . . . . . . . . 4171 1 209 . 1 1 46 46 GLN CA C 13 53.1 0.15 . 1 . . . . . . . . 4171 1 210 . 1 1 46 46 GLN N N 15 119.8 0.15 . 1 . . . . . . . . 4171 1 211 . 1 1 48 48 PRO HA H 1 3.82 0.02 . 1 . . . . . . . . 4171 1 212 . 1 1 48 48 PRO C C 13 172.6 0.15 . 1 . . . . . . . . 4171 1 213 . 1 1 48 48 PRO CA C 13 62.3 0.15 . 1 . . . . . . . . 4171 1 214 . 1 1 49 49 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 4171 1 215 . 1 1 49 49 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 4171 1 216 . 1 1 49 49 LYS C C 13 176.0 0.15 . 1 . . . . . . . . 4171 1 217 . 1 1 49 49 LYS CA C 13 54.0 0.15 . 1 . . . . . . . . 4171 1 218 . 1 1 49 49 LYS N N 15 120.6 0.15 . 1 . . . . . . . . 4171 1 219 . 1 1 50 50 LEU H H 1 8.89 0.02 . 1 . . . . . . . . 4171 1 220 . 1 1 50 50 LEU HA H 1 3.76 0.02 . 1 . . . . . . . . 4171 1 221 . 1 1 50 50 LEU C C 13 174.6 0.15 . 1 . . . . . . . . 4171 1 222 . 1 1 50 50 LEU CA C 13 56.5 0.15 . 1 . . . . . . . . 4171 1 223 . 1 1 50 50 LEU N N 15 129.1 0.15 . 1 . . . . . . . . 4171 1 224 . 1 1 51 51 LEU H H 1 8.52 0.02 . 1 . . . . . . . . 4171 1 225 . 1 1 51 51 LEU HA H 1 4.54 0.02 . 1 . . . . . . . . 4171 1 226 . 1 1 51 51 LEU C C 13 175.3 0.15 . 1 . . . . . . . . 4171 1 227 . 1 1 51 51 LEU CA C 13 55.0 0.15 . 1 . . . . . . . . 4171 1 228 . 1 1 51 51 LEU N N 15 123.1 0.15 . 1 . . . . . . . . 4171 1 229 . 1 1 52 52 ILE H H 1 6.93 0.02 . 1 . . . . . . . . 4171 1 230 . 1 1 52 52 ILE HA H 1 5.01 0.02 . 1 . . . . . . . . 4171 1 231 . 1 1 52 52 ILE C C 13 174.1 0.15 . 1 . . . . . . . . 4171 1 232 . 1 1 52 52 ILE CA C 13 57.5 0.15 . 1 . . . . . . . . 4171 1 233 . 1 1 52 52 ILE N N 15 115.8 0.15 . 1 . . . . . . . . 4171 1 234 . 1 1 53 53 TYR H H 1 9.02 0.02 . 1 . . . . . . . . 4171 1 235 . 1 1 53 53 TYR HA H 1 5.75 0.02 . 1 . . . . . . . . 4171 1 236 . 1 1 53 53 TYR C C 13 174.5 0.15 . 1 . . . . . . . . 4171 1 237 . 1 1 53 53 TYR CA C 13 53.0 0.15 . 1 . . . . . . . . 4171 1 238 . 1 1 53 53 TYR N N 15 121.9 0.15 . 1 . . . . . . . . 4171 1 239 . 1 1 54 54 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 4171 1 240 . 1 1 54 54 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 4171 1 241 . 1 1 54 54 ALA C C 13 179.2 0.15 . 1 . . . . . . . . 4171 1 242 . 1 1 54 54 ALA CA C 13 53.0 0.15 . 1 . . . . . . . . 4171 1 243 . 1 1 54 54 ALA N N 15 123.3 0.15 . 1 . . . . . . . . 4171 1 244 . 1 1 55 55 ALA H H 1 9.23 0.02 . 1 . . . . . . . . 4171 1 245 . 1 1 55 55 ALA HA H 1 3.45 0.02 . 1 . . . . . . . . 4171 1 246 . 1 1 55 55 ALA C C 13 179.5 0.15 . 1 . . . . . . . . 4171 1 247 . 1 1 55 55 ALA CA C 13 57.4 0.15 . 1 . . . . . . . . 4171 1 248 . 1 1 55 55 ALA N N 15 115.3 0.15 . 1 . . . . . . . . 4171 1 249 . 1 1 56 56 SER H H 1 8.55 0.02 . 1 . . . . . . . . 4171 1 250 . 1 1 56 56 SER HA H 1 4.57 0.02 . 1 . . . . . . . . 4171 1 251 . 1 1 56 56 SER C C 13 174.7 0.15 . 1 . . . . . . . . 4171 1 252 . 1 1 56 56 SER CA C 13 57.7 0.15 . 1 . . . . . . . . 4171 1 253 . 1 1 56 56 SER N N 15 110.0 0.15 . 1 . . . . . . . . 4171 1 254 . 1 1 57 57 ASN H H 1 7.76 0.02 . 1 . . . . . . . . 4171 1 255 . 1 1 57 57 ASN HA H 1 4.58 0.02 . 1 . . . . . . . . 4171 1 256 . 1 1 57 57 ASN C C 13 172.3 0.15 . 1 . . . . . . . . 4171 1 257 . 1 1 57 57 ASN CA C 13 53.1 0.15 . 1 . . . . . . . . 4171 1 258 . 1 1 57 57 ASN N N 15 121.9 0.15 . 1 . . . . . . . . 4171 1 259 . 1 1 58 58 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 4171 1 260 . 1 1 58 58 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 4171 1 261 . 1 1 58 58 LEU C C 13 177.6 0.15 . 1 . . . . . . . . 4171 1 262 . 1 1 58 58 LEU CA C 13 55.5 0.15 . 1 . . . . . . . . 4171 1 263 . 1 1 58 58 LEU N N 15 125.9 0.15 . 1 . . . . . . . . 4171 1 264 . 1 1 59 59 GLU H H 1 8.03 0.02 . 1 . . . . . . . . 4171 1 265 . 1 1 59 59 GLU HA H 1 4.86 0.02 . 1 . . . . . . . . 4171 1 266 . 1 1 59 59 GLU C C 13 176.0 0.15 . 1 . . . . . . . . 4171 1 267 . 1 1 59 59 GLU CA C 13 55.8 0.15 . 1 . . . . . . . . 4171 1 268 . 1 1 59 59 GLU N N 15 127.8 0.15 . 1 . . . . . . . . 4171 1 269 . 1 1 60 60 SER H H 1 8.58 0.02 . 1 . . . . . . . . 4171 1 270 . 1 1 60 60 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 4171 1 271 . 1 1 60 60 SER C C 13 172.1 0.15 . 1 . . . . . . . . 4171 1 272 . 1 1 60 60 SER CA C 13 60.2 0.15 . 1 . . . . . . . . 4171 1 273 . 1 1 60 60 SER N N 15 119.8 0.15 . 1 . . . . . . . . 4171 1 274 . 1 1 61 61 GLY H H 1 8.74 0.02 . 1 . . . . . . . . 4171 1 275 . 1 1 61 61 GLY HA2 H 1 3.68 0.02 . 1 . . . . . . . . 4171 1 276 . 1 1 61 61 GLY HA3 H 1 4.24 0.02 . 1 . . . . . . . . 4171 1 277 . 1 1 61 61 GLY C C 13 174.0 0.15 . 1 . . . . . . . . 4171 1 278 . 1 1 61 61 GLY CA C 13 45.2 0.15 . 1 . . . . . . . . 4171 1 279 . 1 1 61 61 GLY N N 15 114.0 0.15 . 1 . . . . . . . . 4171 1 280 . 1 1 62 62 ILE H H 1 7.75 0.02 . 1 . . . . . . . . 4171 1 281 . 1 1 62 62 ILE HA H 1 4.52 0.02 . 1 . . . . . . . . 4171 1 282 . 1 1 62 62 ILE CA C 13 55.4 0.15 . 1 . . . . . . . . 4171 1 283 . 1 1 62 62 ILE N N 15 124.3 0.15 . 1 . . . . . . . . 4171 1 284 . 1 1 63 63 PRO HA H 1 4.56 0.02 . 1 . . . . . . . . 4171 1 285 . 1 1 63 63 PRO C C 13 176.5 0.15 . 1 . . . . . . . . 4171 1 286 . 1 1 63 63 PRO CA C 13 63.2 0.15 . 1 . . . . . . . . 4171 1 287 . 1 1 64 64 ALA H H 1 8.30 0.02 . 1 . . . . . . . . 4171 1 288 . 1 1 64 64 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 4171 1 289 . 1 1 64 64 ALA C C 13 176.7 0.15 . 1 . . . . . . . . 4171 1 290 . 1 1 64 64 ALA CA C 13 53.5 0.15 . 1 . . . . . . . . 4171 1 291 . 1 1 64 64 ALA N N 15 120.6 0.15 . 1 . . . . . . . . 4171 1 292 . 1 1 65 65 ARG H H 1 6.79 0.02 . 1 . . . . . . . . 4171 1 293 . 1 1 65 65 ARG HA H 1 4.23 0.02 . 1 . . . . . . . . 4171 1 294 . 1 1 65 65 ARG C C 13 175.7 0.15 . 1 . . . . . . . . 4171 1 295 . 1 1 65 65 ARG CA C 13 56.7 0.15 . 1 . . . . . . . . 4171 1 296 . 1 1 65 65 ARG N N 15 113.8 0.15 . 1 . . . . . . . . 4171 1 297 . 1 1 66 66 PHE H H 1 7.64 0.02 . 1 . . . . . . . . 4171 1 298 . 1 1 66 66 PHE HA H 1 4.81 0.02 . 1 . . . . . . . . 4171 1 299 . 1 1 66 66 PHE C C 13 174.1 0.15 . 1 . . . . . . . . 4171 1 300 . 1 1 66 66 PHE CA C 13 57.8 0.15 . 1 . . . . . . . . 4171 1 301 . 1 1 66 66 PHE N N 15 118.9 0.15 . 1 . . . . . . . . 4171 1 302 . 1 1 67 67 SER H H 1 8.75 0.02 . 1 . . . . . . . . 4171 1 303 . 1 1 67 67 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 4171 1 304 . 1 1 67 67 SER C C 13 172.6 0.15 . 1 . . . . . . . . 4171 1 305 . 1 1 67 67 SER CA C 13 57.3 0.15 . 1 . . . . . . . . 4171 1 306 . 1 1 67 67 SER N N 15 112.0 0.15 . 1 . . . . . . . . 4171 1 307 . 1 1 68 68 GLY H H 1 8.89 0.02 . 1 . . . . . . . . 4171 1 308 . 1 1 68 68 GLY HA2 H 1 3.80 0.02 . 1 . . . . . . . . 4171 1 309 . 1 1 68 68 GLY HA3 H 1 5.22 0.02 . 1 . . . . . . . . 4171 1 310 . 1 1 68 68 GLY C C 13 172.6 0.15 . 1 . . . . . . . . 4171 1 311 . 1 1 68 68 GLY CA C 13 44.3 0.15 . 1 . . . . . . . . 4171 1 312 . 1 1 68 68 GLY N N 15 110.7 0.15 . 1 . . . . . . . . 4171 1 313 . 1 1 69 69 SER H H 1 8.73 0.02 . 1 . . . . . . . . 4171 1 314 . 1 1 69 69 SER HA H 1 4.83 0.02 . 1 . . . . . . . . 4171 1 315 . 1 1 69 69 SER C C 13 173.9 0.15 . 1 . . . . . . . . 4171 1 316 . 1 1 69 69 SER CA C 13 57.0 0.15 . 1 . . . . . . . . 4171 1 317 . 1 1 69 69 SER N N 15 113.5 0.15 . 1 . . . . . . . . 4171 1 318 . 1 1 70 70 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 4171 1 319 . 1 1 70 70 GLY HA2 H 1 3.55 0.02 . 1 . . . . . . . . 4171 1 320 . 1 1 70 70 GLY HA3 H 1 5.00 0.02 . 1 . . . . . . . . 4171 1 321 . 1 1 70 70 GLY C C 13 171.7 0.15 . 1 . . . . . . . . 4171 1 322 . 1 1 70 70 GLY CA C 13 45.1 0.15 . 1 . . . . . . . . 4171 1 323 . 1 1 70 70 GLY N N 15 110.3 0.15 . 1 . . . . . . . . 4171 1 324 . 1 1 71 71 SER H H 1 6.85 0.02 . 1 . . . . . . . . 4171 1 325 . 1 1 71 71 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4171 1 326 . 1 1 71 71 SER C C 13 173.4 0.15 . 1 . . . . . . . . 4171 1 327 . 1 1 71 71 SER CA C 13 58.2 0.15 . 1 . . . . . . . . 4171 1 328 . 1 1 71 71 SER N N 15 107.7 0.15 . 1 . . . . . . . . 4171 1 329 . 1 1 72 72 ARG H H 1 9.17 0.02 . 1 . . . . . . . . 4171 1 330 . 1 1 72 72 ARG HA H 1 3.88 0.02 . 1 . . . . . . . . 4171 1 331 . 1 1 72 72 ARG C C 13 173.4 0.15 . 1 . . . . . . . . 4171 1 332 . 1 1 72 72 ARG CA C 13 60.8 0.15 . 1 . . . . . . . . 4171 1 333 . 1 1 72 72 ARG N N 15 117.9 0.15 . 1 . . . . . . . . 4171 1 334 . 1 1 73 73 THR H H 1 7.82 0.02 . 1 . . . . . . . . 4171 1 335 . 1 1 73 73 THR HA H 1 4.88 0.02 . 1 . . . . . . . . 4171 1 336 . 1 1 73 73 THR C C 13 173.6 0.15 . 1 . . . . . . . . 4171 1 337 . 1 1 73 73 THR CA C 13 61.1 0.15 . 1 . . . . . . . . 4171 1 338 . 1 1 73 73 THR N N 15 110.2 0.15 . 1 . . . . . . . . 4171 1 339 . 1 1 74 74 ASP H H 1 7.29 0.02 . 1 . . . . . . . . 4171 1 340 . 1 1 74 74 ASP HA H 1 5.32 0.02 . 1 . . . . . . . . 4171 1 341 . 1 1 74 74 ASP C C 13 173.2 0.15 . 1 . . . . . . . . 4171 1 342 . 1 1 74 74 ASP CA C 13 54.9 0.15 . 1 . . . . . . . . 4171 1 343 . 1 1 74 74 ASP N N 15 122.6 0.15 . 1 . . . . . . . . 4171 1 344 . 1 1 75 75 PHE H H 1 8.65 0.02 . 1 . . . . . . . . 4171 1 345 . 1 1 75 75 PHE HA H 1 5.27 0.02 . 1 . . . . . . . . 4171 1 346 . 1 1 75 75 PHE C C 13 175.7 0.15 . 1 . . . . . . . . 4171 1 347 . 1 1 75 75 PHE CA C 13 57.3 0.15 . 1 . . . . . . . . 4171 1 348 . 1 1 75 75 PHE N N 15 120.6 0.15 . 1 . . . . . . . . 4171 1 349 . 1 1 76 76 THR H H 1 8.93 0.02 . 1 . . . . . . . . 4171 1 350 . 1 1 76 76 THR HA H 1 5.43 0.02 . 1 . . . . . . . . 4171 1 351 . 1 1 76 76 THR C C 13 171.7 0.15 . 1 . . . . . . . . 4171 1 352 . 1 1 76 76 THR CA C 13 61.2 0.15 . 1 . . . . . . . . 4171 1 353 . 1 1 76 76 THR N N 15 115.7 0.15 . 1 . . . . . . . . 4171 1 354 . 1 1 77 77 LEU H H 1 8.71 0.02 . 1 . . . . . . . . 4171 1 355 . 1 1 77 77 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4171 1 356 . 1 1 77 77 LEU C C 13 173.9 0.15 . 1 . . . . . . . . 4171 1 357 . 1 1 77 77 LEU CA C 13 53.0 0.15 . 1 . . . . . . . . 4171 1 358 . 1 1 77 77 LEU N N 15 126.9 0.15 . 1 . . . . . . . . 4171 1 359 . 1 1 78 78 ASN H H 1 8.99 0.02 . 1 . . . . . . . . 4171 1 360 . 1 1 78 78 ASN HA H 1 5.51 0.02 . 1 . . . . . . . . 4171 1 361 . 1 1 78 78 ASN C C 13 173.8 0.15 . 1 . . . . . . . . 4171 1 362 . 1 1 78 78 ASN CA C 13 51.6 0.15 . 1 . . . . . . . . 4171 1 363 . 1 1 78 78 ASN N N 15 124.2 0.15 . 1 . . . . . . . . 4171 1 364 . 1 1 79 79 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 4171 1 365 . 1 1 79 79 ILE HA H 1 4.32 0.02 . 1 . . . . . . . . 4171 1 366 . 1 1 79 79 ILE C C 13 175.7 0.15 . 1 . . . . . . . . 4171 1 367 . 1 1 79 79 ILE CA C 13 60.0 0.15 . 1 . . . . . . . . 4171 1 368 . 1 1 79 79 ILE N N 15 120.7 0.15 . 1 . . . . . . . . 4171 1 369 . 1 1 80 80 HIS H H 1 8.58 0.02 . 1 . . . . . . . . 4171 1 370 . 1 1 80 80 HIS HA H 1 4.80 0.02 . 1 . . . . . . . . 4171 1 371 . 1 1 80 80 HIS CA C 13 53.6 0.15 . 1 . . . . . . . . 4171 1 372 . 1 1 80 80 HIS N N 15 123.4 0.15 . 1 . . . . . . . . 4171 1 373 . 1 1 81 81 PRO HA H 1 4.12 0.02 . 1 . . . . . . . . 4171 1 374 . 1 1 81 81 PRO C C 13 175.3 0.15 . 1 . . . . . . . . 4171 1 375 . 1 1 81 81 PRO CA C 13 62.6 0.15 . 1 . . . . . . . . 4171 1 376 . 1 1 82 82 VAL H H 1 8.05 0.02 . 1 . . . . . . . . 4171 1 377 . 1 1 82 82 VAL HA H 1 3.77 0.02 . 1 . . . . . . . . 4171 1 378 . 1 1 82 82 VAL C C 13 175.9 0.15 . 1 . . . . . . . . 4171 1 379 . 1 1 82 82 VAL CA C 13 63.8 0.15 . 1 . . . . . . . . 4171 1 380 . 1 1 82 82 VAL N N 15 119.1 0.15 . 1 . . . . . . . . 4171 1 381 . 1 1 83 83 GLU H H 1 8.99 0.02 . 1 . . . . . . . . 4171 1 382 . 1 1 83 83 GLU HA H 1 4.63 0.02 . 1 . . . . . . . . 4171 1 383 . 1 1 83 83 GLU C C 13 176.8 0.15 . 1 . . . . . . . . 4171 1 384 . 1 1 83 83 GLU CA C 13 54.4 0.15 . 1 . . . . . . . . 4171 1 385 . 1 1 83 83 GLU N N 15 128.6 0.15 . 1 . . . . . . . . 4171 1 386 . 1 1 84 84 GLU H H 1 8.96 0.02 . 1 . . . . . . . . 4171 1 387 . 1 1 84 84 GLU HA H 1 3.74 0.02 . 1 . . . . . . . . 4171 1 388 . 1 1 84 84 GLU C C 13 178.9 0.15 . 1 . . . . . . . . 4171 1 389 . 1 1 84 84 GLU CA C 13 60.4 0.15 . 1 . . . . . . . . 4171 1 390 . 1 1 84 84 GLU N N 15 121.2 0.15 . 1 . . . . . . . . 4171 1 391 . 1 1 85 85 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 4171 1 392 . 1 1 85 85 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4171 1 393 . 1 1 85 85 GLU C C 13 175.7 0.15 . 1 . . . . . . . . 4171 1 394 . 1 1 85 85 GLU CA C 13 57.2 0.15 . 1 . . . . . . . . 4171 1 395 . 1 1 85 85 GLU N N 15 113.6 0.15 . 1 . . . . . . . . 4171 1 396 . 1 1 86 86 ASP H H 1 7.94 0.02 . 1 . . . . . . . . 4171 1 397 . 1 1 86 86 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 4171 1 398 . 1 1 86 86 ASP C C 13 177.5 0.15 . 1 . . . . . . . . 4171 1 399 . 1 1 86 86 ASP CA C 13 54.7 0.15 . 1 . . . . . . . . 4171 1 400 . 1 1 86 86 ASP N N 15 118.9 0.15 . 1 . . . . . . . . 4171 1 401 . 1 1 87 87 ALA H H 1 7.16 0.02 . 1 . . . . . . . . 4171 1 402 . 1 1 87 87 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 4171 1 403 . 1 1 87 87 ALA C C 13 175.9 0.15 . 1 . . . . . . . . 4171 1 404 . 1 1 87 87 ALA CA C 13 54.2 0.15 . 1 . . . . . . . . 4171 1 405 . 1 1 87 87 ALA N N 15 123.9 0.15 . 1 . . . . . . . . 4171 1 406 . 1 1 88 88 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 4171 1 407 . 1 1 88 88 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 4171 1 408 . 1 1 88 88 ALA C C 13 174.9 0.15 . 1 . . . . . . . . 4171 1 409 . 1 1 88 88 ALA CA C 13 51.7 0.15 . 1 . . . . . . . . 4171 1 410 . 1 1 88 88 ALA N N 15 126.0 0.15 . 1 . . . . . . . . 4171 1 411 . 1 1 89 89 THR H H 1 8.01 0.02 . 1 . . . . . . . . 4171 1 412 . 1 1 89 89 THR HA H 1 5.14 0.02 . 1 . . . . . . . . 4171 1 413 . 1 1 89 89 THR C C 13 172.6 0.15 . 1 . . . . . . . . 4171 1 414 . 1 1 89 89 THR CA C 13 62.4 0.15 . 1 . . . . . . . . 4171 1 415 . 1 1 89 89 THR N N 15 114.4 0.15 . 1 . . . . . . . . 4171 1 416 . 1 1 90 90 TYR H H 1 8.92 0.02 . 1 . . . . . . . . 4171 1 417 . 1 1 90 90 TYR HA H 1 5.35 0.02 . 1 . . . . . . . . 4171 1 418 . 1 1 90 90 TYR C C 13 176.6 0.15 . 1 . . . . . . . . 4171 1 419 . 1 1 90 90 TYR CA C 13 56.9 0.15 . 1 . . . . . . . . 4171 1 420 . 1 1 90 90 TYR N N 15 124.0 0.15 . 1 . . . . . . . . 4171 1 421 . 1 1 91 91 TYR H H 1 9.38 0.02 . 1 . . . . . . . . 4171 1 422 . 1 1 91 91 TYR HA H 1 5.56 0.02 . 1 . . . . . . . . 4171 1 423 . 1 1 91 91 TYR C C 13 175.6 0.15 . 1 . . . . . . . . 4171 1 424 . 1 1 91 91 TYR CA C 13 57.9 0.15 . 1 . . . . . . . . 4171 1 425 . 1 1 91 91 TYR N N 15 120.4 0.15 . 1 . . . . . . . . 4171 1 426 . 1 1 92 92 CYS H H 1 7.40 0.02 . 1 . . . . . . . . 4171 1 427 . 1 1 92 92 CYS HA H 1 5.30 0.02 . 1 . . . . . . . . 4171 1 428 . 1 1 92 92 CYS C C 13 173.4 0.15 . 1 . . . . . . . . 4171 1 429 . 1 1 92 92 CYS CA C 13 53.1 0.15 . 1 . . . . . . . . 4171 1 430 . 1 1 92 92 CYS N N 15 116.0 0.15 . 1 . . . . . . . . 4171 1 431 . 1 1 93 93 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 4171 1 432 . 1 1 93 93 GLN HA H 1 4.65 0.02 . 1 . . . . . . . . 4171 1 433 . 1 1 93 93 GLN C C 13 172.5 0.15 . 1 . . . . . . . . 4171 1 434 . 1 1 93 93 GLN CA C 13 55.0 0.15 . 1 . . . . . . . . 4171 1 435 . 1 1 93 93 GLN N N 15 122.7 0.15 . 1 . . . . . . . . 4171 1 436 . 1 1 94 94 GLN H H 1 8.31 0.02 . 1 . . . . . . . . 4171 1 437 . 1 1 94 94 GLN HA H 1 5.49 0.02 . 1 . . . . . . . . 4171 1 438 . 1 1 94 94 GLN C C 13 174.8 0.15 . 1 . . . . . . . . 4171 1 439 . 1 1 94 94 GLN CA C 13 51.9 0.15 . 1 . . . . . . . . 4171 1 440 . 1 1 94 94 GLN N N 15 124.1 0.15 . 1 . . . . . . . . 4171 1 441 . 1 1 95 95 SER H H 1 7.96 0.02 . 1 . . . . . . . . 4171 1 442 . 1 1 95 95 SER HA H 1 3.12 0.02 . 1 . . . . . . . . 4171 1 443 . 1 1 95 95 SER C C 13 173.1 0.15 . 1 . . . . . . . . 4171 1 444 . 1 1 95 95 SER CA C 13 53.9 0.15 . 1 . . . . . . . . 4171 1 445 . 1 1 95 95 SER N N 15 114.2 0.15 . 1 . . . . . . . . 4171 1 446 . 1 1 96 96 ASN H H 1 8.62 0.02 . 1 . . . . . . . . 4171 1 447 . 1 1 96 96 ASN HA H 1 3.78 0.02 . 1 . . . . . . . . 4171 1 448 . 1 1 96 96 ASN C C 13 173.5 0.15 . 1 . . . . . . . . 4171 1 449 . 1 1 96 96 ASN CA C 13 57.0 0.15 . 1 . . . . . . . . 4171 1 450 . 1 1 96 96 ASN N N 15 122.5 0.15 . 1 . . . . . . . . 4171 1 451 . 1 1 97 97 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 4171 1 452 . 1 1 97 97 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 4171 1 453 . 1 1 97 97 GLU C C 13 175.0 0.15 . 1 . . . . . . . . 4171 1 454 . 1 1 97 97 GLU CA C 13 54.3 0.15 . 1 . . . . . . . . 4171 1 455 . 1 1 97 97 GLU N N 15 115.2 0.15 . 1 . . . . . . . . 4171 1 456 . 1 1 98 98 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 4171 1 457 . 1 1 98 98 ASP HA H 1 4.27 0.02 . 1 . . . . . . . . 4171 1 458 . 1 1 98 98 ASP CA C 13 52.7 0.15 . 1 . . . . . . . . 4171 1 459 . 1 1 98 98 ASP N N 15 121.9 0.15 . 1 . . . . . . . . 4171 1 460 . 1 1 99 99 PRO HA H 1 4.67 0.02 . 1 . . . . . . . . 4171 1 461 . 1 1 99 99 PRO C C 13 174.5 0.15 . 1 . . . . . . . . 4171 1 462 . 1 1 99 99 PRO CA C 13 61.1 0.15 . 1 . . . . . . . . 4171 1 463 . 1 1 100 100 PHE H H 1 7.88 0.02 . 1 . . . . . . . . 4171 1 464 . 1 1 100 100 PHE HA H 1 4.23 0.02 . 1 . . . . . . . . 4171 1 465 . 1 1 100 100 PHE C C 13 175.4 0.15 . 1 . . . . . . . . 4171 1 466 . 1 1 100 100 PHE CA C 13 55.0 0.15 . 1 . . . . . . . . 4171 1 467 . 1 1 100 100 PHE N N 15 123.6 0.15 . 1 . . . . . . . . 4171 1 468 . 1 1 101 101 THR H H 1 7.04 0.02 . 1 . . . . . . . . 4171 1 469 . 1 1 101 101 THR HA H 1 5.15 0.02 . 1 . . . . . . . . 4171 1 470 . 1 1 101 101 THR C C 13 172.6 0.15 . 1 . . . . . . . . 4171 1 471 . 1 1 101 101 THR CA C 13 58.8 0.15 . 1 . . . . . . . . 4171 1 472 . 1 1 101 101 THR N N 15 107.6 0.15 . 1 . . . . . . . . 4171 1 473 . 1 1 102 102 PHE H H 1 9.00 0.02 . 1 . . . . . . . . 4171 1 474 . 1 1 102 102 PHE HA H 1 5.24 0.02 . 1 . . . . . . . . 4171 1 475 . 1 1 102 102 PHE C C 13 178.0 0.15 . 1 . . . . . . . . 4171 1 476 . 1 1 102 102 PHE CA C 13 56.4 0.15 . 1 . . . . . . . . 4171 1 477 . 1 1 102 102 PHE N N 15 117.9 0.15 . 1 . . . . . . . . 4171 1 478 . 1 1 103 103 GLY H H 1 9.26 0.02 . 1 . . . . . . . . 4171 1 479 . 1 1 103 103 GLY HA2 H 1 4.45 0.02 . 1 . . . . . . . . 4171 1 480 . 1 1 103 103 GLY HA3 H 1 4.57 0.02 . 1 . . . . . . . . 4171 1 481 . 1 1 103 103 GLY C C 13 174.2 0.15 . 1 . . . . . . . . 4171 1 482 . 1 1 103 103 GLY CA C 13 44.6 0.15 . 1 . . . . . . . . 4171 1 483 . 1 1 103 103 GLY N N 15 108.0 0.15 . 1 . . . . . . . . 4171 1 484 . 1 1 104 104 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4171 1 485 . 1 1 104 104 SER HA H 1 4.65 0.02 . 1 . . . . . . . . 4171 1 486 . 1 1 104 104 SER C C 13 175.4 0.15 . 1 . . . . . . . . 4171 1 487 . 1 1 104 104 SER CA C 13 60.9 0.15 . 1 . . . . . . . . 4171 1 488 . 1 1 104 104 SER N N 15 110.9 0.15 . 1 . . . . . . . . 4171 1 489 . 1 1 105 105 GLY H H 1 7.04 0.02 . 1 . . . . . . . . 4171 1 490 . 1 1 105 105 GLY HA2 H 1 3.68 0.02 . 1 . . . . . . . . 4171 1 491 . 1 1 105 105 GLY HA3 H 1 4.11 0.02 . 1 . . . . . . . . 4171 1 492 . 1 1 105 105 GLY C C 13 172.6 0.15 . 1 . . . . . . . . 4171 1 493 . 1 1 105 105 GLY CA C 13 45.6 0.15 . 1 . . . . . . . . 4171 1 494 . 1 1 105 105 GLY N N 15 107.6 0.15 . 1 . . . . . . . . 4171 1 495 . 1 1 106 106 THR H H 1 8.02 0.02 . 1 . . . . . . . . 4171 1 496 . 1 1 106 106 THR HA H 1 4.84 0.02 . 1 . . . . . . . . 4171 1 497 . 1 1 106 106 THR C C 13 173.8 0.15 . 1 . . . . . . . . 4171 1 498 . 1 1 106 106 THR CA C 13 61.7 0.15 . 1 . . . . . . . . 4171 1 499 . 1 1 106 106 THR N N 15 118.2 0.15 . 1 . . . . . . . . 4171 1 500 . 1 1 107 107 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 4171 1 501 . 1 1 107 107 LYS HA H 1 4.64 0.02 . 1 . . . . . . . . 4171 1 502 . 1 1 107 107 LYS C C 13 173.4 0.15 . 1 . . . . . . . . 4171 1 503 . 1 1 107 107 LYS CA C 13 56.5 0.15 . 1 . . . . . . . . 4171 1 504 . 1 1 107 107 LYS N N 15 129.7 0.15 . 1 . . . . . . . . 4171 1 505 . 1 1 108 108 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 4171 1 506 . 1 1 108 108 LEU HA H 1 5.28 0.02 . 1 . . . . . . . . 4171 1 507 . 1 1 108 108 LEU C C 13 175.3 0.15 . 1 . . . . . . . . 4171 1 508 . 1 1 108 108 LEU CA C 13 54.7 0.15 . 1 . . . . . . . . 4171 1 509 . 1 1 108 108 LEU N N 15 130.9 0.15 . 1 . . . . . . . . 4171 1 510 . 1 1 109 109 GLU H H 1 9.10 0.02 . 1 . . . . . . . . 4171 1 511 . 1 1 109 109 GLU HA H 1 4.73 0.02 . 1 . . . . . . . . 4171 1 512 . 1 1 109 109 GLU C C 13 173.8 0.15 . 1 . . . . . . . . 4171 1 513 . 1 1 109 109 GLU CA C 13 54.0 0.15 . 1 . . . . . . . . 4171 1 514 . 1 1 109 109 GLU N N 15 126.8 0.15 . 1 . . . . . . . . 4171 1 515 . 1 1 110 110 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 4171 1 516 . 1 1 110 110 ILE HA H 1 4.83 0.02 . 1 . . . . . . . . 4171 1 517 . 1 1 110 110 ILE C C 13 176.7 0.15 . 1 . . . . . . . . 4171 1 518 . 1 1 110 110 ILE CA C 13 58.1 0.15 . 1 . . . . . . . . 4171 1 519 . 1 1 110 110 ILE N N 15 121.0 0.15 . 1 . . . . . . . . 4171 1 520 . 1 1 111 111 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 4171 1 521 . 1 1 111 111 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 4171 1 522 . 1 1 111 111 LYS C C 13 174.7 0.15 . 1 . . . . . . . . 4171 1 523 . 1 1 111 111 LYS CA C 13 55.5 0.15 . 1 . . . . . . . . 4171 1 524 . 1 1 111 111 LYS N N 15 129.4 0.15 . 1 . . . . . . . . 4171 1 525 . 1 1 112 112 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 4171 1 526 . 1 1 112 112 ARG HA H 1 4.19 0.02 . 1 . . . . . . . . 4171 1 527 . 1 1 112 112 ARG CA C 13 57.2 0.15 . 1 . . . . . . . . 4171 1 528 . 1 1 112 112 ARG N N 15 130.2 0.15 . 1 . . . . . . . . 4171 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4171 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4171 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 . 2 2 1 1 GLN HA H 1 4.29 0.02 . 1 . . . . . . . . 4171 2 2 . 2 2 1 1 GLN C C 13 176.8 0.15 . 1 . . . . . . . . 4171 2 3 . 2 2 1 1 GLN CA C 13 59.1 0.15 . 1 . . . . . . . . 4171 2 4 . 2 2 2 2 VAL H H 1 7.44 0.02 . 1 . . . . . . . . 4171 2 5 . 2 2 2 2 VAL HA H 1 3.76 0.02 . 1 . . . . . . . . 4171 2 6 . 2 2 2 2 VAL C C 13 175.6 0.15 . 1 . . . . . . . . 4171 2 7 . 2 2 2 2 VAL CA C 13 63.9 0.15 . 1 . . . . . . . . 4171 2 8 . 2 2 2 2 VAL N N 15 122.6 0.15 . 1 . . . . . . . . 4171 2 9 . 2 2 3 3 GLN H H 1 8.33 0.02 . 1 . . . . . . . . 4171 2 10 . 2 2 3 3 GLN HA H 1 4.47 0.02 . 1 . . . . . . . . 4171 2 11 . 2 2 3 3 GLN C C 13 173.3 0.15 . 1 . . . . . . . . 4171 2 12 . 2 2 3 3 GLN CA C 13 55.6 0.15 . 1 . . . . . . . . 4171 2 13 . 2 2 3 3 GLN N N 15 124.9 0.15 . 1 . . . . . . . . 4171 2 14 . 2 2 4 4 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 4171 2 15 . 2 2 4 4 LEU HA H 1 5.03 0.02 . 1 . . . . . . . . 4171 2 16 . 2 2 4 4 LEU C C 13 175.7 0.15 . 1 . . . . . . . . 4171 2 17 . 2 2 4 4 LEU CA C 13 53.4 0.15 . 1 . . . . . . . . 4171 2 18 . 2 2 4 4 LEU N N 15 123.8 0.15 . 1 . . . . . . . . 4171 2 19 . 2 2 5 5 GLN H H 1 9.19 0.02 . 1 . . . . . . . . 4171 2 20 . 2 2 5 5 GLN HA H 1 4.91 0.02 . 1 . . . . . . . . 4171 2 21 . 2 2 5 5 GLN C C 13 176.4 0.15 . 1 . . . . . . . . 4171 2 22 . 2 2 5 5 GLN CA C 13 54.5 0.15 . 1 . . . . . . . . 4171 2 23 . 2 2 5 5 GLN N N 15 121.7 0.15 . 1 . . . . . . . . 4171 2 24 . 2 2 6 6 GLN H H 1 9.68 0.02 . 1 . . . . . . . . 4171 2 25 . 2 2 6 6 GLN HA H 1 5.58 0.02 . 1 . . . . . . . . 4171 2 26 . 2 2 6 6 GLN C C 13 176.2 0.15 . 1 . . . . . . . . 4171 2 27 . 2 2 6 6 GLN CA C 13 55.6 0.15 . 1 . . . . . . . . 4171 2 28 . 2 2 6 6 GLN N N 15 127.9 0.15 . 1 . . . . . . . . 4171 2 29 . 2 2 7 7 SER H H 1 7.65 0.02 . 1 . . . . . . . . 4171 2 30 . 2 2 7 7 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4171 2 31 . 2 2 7 7 SER C C 13 176.0 0.15 . 1 . . . . . . . . 4171 2 32 . 2 2 7 7 SER CA C 13 58.3 0.15 . 1 . . . . . . . . 4171 2 33 . 2 2 7 7 SER N N 15 113.8 0.15 . 1 . . . . . . . . 4171 2 34 . 2 2 8 8 GLY H H 1 8.59 0.02 . 1 . . . . . . . . 4171 2 35 . 2 2 8 8 GLY HA2 H 1 4.06 0.02 . 1 . . . . . . . . 4171 2 36 . 2 2 8 8 GLY HA3 H 1 4.06 0.02 . 1 . . . . . . . . 4171 2 37 . 2 2 8 8 GLY C C 13 172.2 0.15 . 1 . . . . . . . . 4171 2 38 . 2 2 8 8 GLY N N 15 107.2 0.15 . 1 . . . . . . . . 4171 2 39 . 2 2 9 9 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 4171 2 40 . 2 2 9 9 ALA HA H 1 4.67 0.02 . 1 . . . . . . . . 4171 2 41 . 2 2 9 9 ALA C C 13 178.5 0.15 . 1 . . . . . . . . 4171 2 42 . 2 2 9 9 ALA CA C 13 53.1 0.15 . 1 . . . . . . . . 4171 2 43 . 2 2 9 9 ALA N N 15 118.9 0.15 . 1 . . . . . . . . 4171 2 44 . 2 2 10 10 GLU H H 1 8.48 0.02 . 1 . . . . . . . . 4171 2 45 . 2 2 10 10 GLU HA H 1 4.81 0.02 . 1 . . . . . . . . 4171 2 46 . 2 2 10 10 GLU C C 13 175.0 0.15 . 1 . . . . . . . . 4171 2 47 . 2 2 10 10 GLU CA C 13 55.1 0.15 . 1 . . . . . . . . 4171 2 48 . 2 2 10 10 GLU N N 15 118.5 0.15 . 1 . . . . . . . . 4171 2 49 . 2 2 11 11 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 4171 2 50 . 2 2 11 11 LEU HA H 1 5.26 0.02 . 1 . . . . . . . . 4171 2 51 . 2 2 11 11 LEU C C 13 176.0 0.15 . 1 . . . . . . . . 4171 2 52 . 2 2 11 11 LEU CA C 13 54.7 0.15 . 1 . . . . . . . . 4171 2 53 . 2 2 11 11 LEU N N 15 128.0 0.15 . 1 . . . . . . . . 4171 2 54 . 2 2 12 12 VAL H H 1 8.77 0.02 . 1 . . . . . . . . 4171 2 55 . 2 2 12 12 VAL HA H 1 4.72 0.02 . 1 . . . . . . . . 4171 2 56 . 2 2 12 12 VAL C C 13 173.7 0.15 . 1 . . . . . . . . 4171 2 57 . 2 2 12 12 VAL CA C 13 59.1 0.15 . 1 . . . . . . . . 4171 2 58 . 2 2 12 12 VAL N N 15 120.7 0.15 . 1 . . . . . . . . 4171 2 59 . 2 2 13 13 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 4171 2 60 . 2 2 13 13 LYS HA H 1 4.79 0.02 . 1 . . . . . . . . 4171 2 61 . 2 2 13 13 LYS CA C 13 53.7 0.15 . 1 . . . . . . . . 4171 2 62 . 2 2 13 13 LYS N N 15 121.1 0.15 . 1 . . . . . . . . 4171 2 63 . 2 2 14 14 PRO HA H 1 3.90 0.02 . 1 . . . . . . . . 4171 2 64 . 2 2 14 14 PRO C C 13 178.1 0.15 . 1 . . . . . . . . 4171 2 65 . 2 2 14 14 PRO CA C 13 63.4 0.15 . 1 . . . . . . . . 4171 2 66 . 2 2 15 15 GLY H H 1 9.72 0.02 . 1 . . . . . . . . 4171 2 67 . 2 2 15 15 GLY HA2 H 1 3.70 0.02 . 1 . . . . . . . . 4171 2 68 . 2 2 15 15 GLY HA3 H 1 4.19 0.02 . 1 . . . . . . . . 4171 2 69 . 2 2 15 15 GLY C C 13 173.9 0.15 . 1 . . . . . . . . 4171 2 70 . 2 2 15 15 GLY CA C 13 45.2 0.15 . 1 . . . . . . . . 4171 2 71 . 2 2 15 15 GLY N N 15 112.9 0.15 . 1 . . . . . . . . 4171 2 72 . 2 2 16 16 ALA H H 1 7.62 0.02 . 1 . . . . . . . . 4171 2 73 . 2 2 16 16 ALA HA H 1 4.54 0.02 . 1 . . . . . . . . 4171 2 74 . 2 2 16 16 ALA C C 13 174.3 0.15 . 1 . . . . . . . . 4171 2 75 . 2 2 16 16 ALA CA C 13 51.6 0.15 . 1 . . . . . . . . 4171 2 76 . 2 2 16 16 ALA N N 15 123.7 0.15 . 1 . . . . . . . . 4171 2 77 . 2 2 17 17 SER H H 1 7.70 0.02 . 1 . . . . . . . . 4171 2 78 . 2 2 17 17 SER HA H 1 5.29 0.02 . 1 . . . . . . . . 4171 2 79 . 2 2 17 17 SER C C 13 173.0 0.15 . 1 . . . . . . . . 4171 2 80 . 2 2 17 17 SER CA C 13 56.5 0.15 . 1 . . . . . . . . 4171 2 81 . 2 2 17 17 SER N N 15 110.1 0.15 . 1 . . . . . . . . 4171 2 82 . 2 2 18 18 VAL H H 1 8.37 0.02 . 1 . . . . . . . . 4171 2 83 . 2 2 18 18 VAL HA H 1 4.52 0.02 . 1 . . . . . . . . 4171 2 84 . 2 2 18 18 VAL C C 13 171.6 0.15 . 1 . . . . . . . . 4171 2 85 . 2 2 18 18 VAL CA C 13 59.6 0.15 . 1 . . . . . . . . 4171 2 86 . 2 2 18 18 VAL N N 15 117.5 0.15 . 1 . . . . . . . . 4171 2 87 . 2 2 19 19 LYS H H 1 8.46 0.02 . 1 . . . . . . . . 4171 2 88 . 2 2 19 19 LYS HA H 1 4.94 0.02 . 1 . . . . . . . . 4171 2 89 . 2 2 19 19 LYS C C 13 174.3 0.15 . 1 . . . . . . . . 4171 2 90 . 2 2 19 19 LYS CA C 13 55.6 0.15 . 1 . . . . . . . . 4171 2 91 . 2 2 19 19 LYS N N 15 127.2 0.15 . 1 . . . . . . . . 4171 2 92 . 2 2 20 20 MET H H 1 8.93 0.02 . 1 . . . . . . . . 4171 2 93 . 2 2 20 20 MET HA H 1 4.65 0.02 . 1 . . . . . . . . 4171 2 94 . 2 2 20 20 MET C C 13 174.5 0.15 . 1 . . . . . . . . 4171 2 95 . 2 2 20 20 MET CA C 13 54.6 0.15 . 1 . . . . . . . . 4171 2 96 . 2 2 20 20 MET N N 15 127.3 0.15 . 1 . . . . . . . . 4171 2 97 . 2 2 21 21 SER H H 1 9.11 0.02 . 1 . . . . . . . . 4171 2 98 . 2 2 21 21 SER HA H 1 5.14 0.02 . 1 . . . . . . . . 4171 2 99 . 2 2 21 21 SER C C 13 174.4 0.15 . 1 . . . . . . . . 4171 2 100 . 2 2 21 21 SER CA C 13 56.8 0.15 . 1 . . . . . . . . 4171 2 101 . 2 2 21 21 SER N N 15 113.2 0.15 . 1 . . . . . . . . 4171 2 102 . 2 2 22 22 CYS H H 1 8.79 0.02 . 1 . . . . . . . . 4171 2 103 . 2 2 22 22 CYS HA H 1 4.69 0.02 . 1 . . . . . . . . 4171 2 104 . 2 2 22 22 CYS C C 13 171.3 0.15 . 1 . . . . . . . . 4171 2 105 . 2 2 22 22 CYS CA C 13 56.8 0.15 . 1 . . . . . . . . 4171 2 106 . 2 2 22 22 CYS N N 15 123.3 0.15 . 1 . . . . . . . . 4171 2 107 . 2 2 23 23 LYS H H 1 9.11 0.02 . 1 . . . . . . . . 4171 2 108 . 2 2 23 23 LYS HA H 1 4.80 0.02 . 1 . . . . . . . . 4171 2 109 . 2 2 23 23 LYS C C 13 175.3 0.15 . 1 . . . . . . . . 4171 2 110 . 2 2 23 23 LYS CA C 13 55.6 0.15 . 1 . . . . . . . . 4171 2 111 . 2 2 23 23 LYS N N 15 129.0 0.15 . 1 . . . . . . . . 4171 2 112 . 2 2 24 24 ALA H H 1 8.80 0.02 . 1 . . . . . . . . 4171 2 113 . 2 2 24 24 ALA HA H 1 5.27 0.02 . 1 . . . . . . . . 4171 2 114 . 2 2 24 24 ALA C C 13 176.4 0.15 . 1 . . . . . . . . 4171 2 115 . 2 2 24 24 ALA CA C 13 51.4 0.15 . 1 . . . . . . . . 4171 2 116 . 2 2 24 24 ALA N N 15 133.4 0.15 . 1 . . . . . . . . 4171 2 117 . 2 2 25 25 PHE H H 1 8.74 0.02 . 1 . . . . . . . . 4171 2 118 . 2 2 25 25 PHE HA H 1 4.60 0.02 . 1 . . . . . . . . 4171 2 119 . 2 2 25 25 PHE C C 13 173.8 0.15 . 1 . . . . . . . . 4171 2 120 . 2 2 25 25 PHE CA C 13 58.1 0.15 . 1 . . . . . . . . 4171 2 121 . 2 2 25 25 PHE N N 15 113.1 0.15 . 1 . . . . . . . . 4171 2 122 . 2 2 26 26 GLY H H 1 8.52 0.02 . 1 . . . . . . . . 4171 2 123 . 2 2 26 26 GLY HA2 H 1 3.56 0.02 . 1 . . . . . . . . 4171 2 124 . 2 2 26 26 GLY HA3 H 1 4.39 0.02 . 1 . . . . . . . . 4171 2 125 . 2 2 26 26 GLY C C 13 173.3 0.15 . 1 . . . . . . . . 4171 2 126 . 2 2 26 26 GLY CA C 13 45.5 0.15 . 1 . . . . . . . . 4171 2 127 . 2 2 26 26 GLY N N 15 106.1 0.15 . 1 . . . . . . . . 4171 2 128 . 2 2 27 27 TYR H H 1 7.27 0.02 . 1 . . . . . . . . 4171 2 129 . 2 2 27 27 TYR HA H 1 4.94 0.02 . 1 . . . . . . . . 4171 2 130 . 2 2 27 27 TYR CA C 13 55.7 0.15 . 1 . . . . . . . . 4171 2 131 . 2 2 27 27 TYR N N 15 113.4 0.15 . 1 . . . . . . . . 4171 2 132 . 2 2 29 29 PHE HA H 1 4.36 0.02 . 1 . . . . . . . . 4171 2 133 . 2 2 29 29 PHE C C 13 176.1 0.15 . 1 . . . . . . . . 4171 2 134 . 2 2 29 29 PHE CA C 13 60.2 0.15 . 1 . . . . . . . . 4171 2 135 . 2 2 30 30 THR H H 1 7.67 0.02 . 1 . . . . . . . . 4171 2 136 . 2 2 30 30 THR HA H 1 4.63 0.02 . 1 . . . . . . . . 4171 2 137 . 2 2 30 30 THR C C 13 173.8 0.15 . 1 . . . . . . . . 4171 2 138 . 2 2 30 30 THR CA C 13 62.6 0.15 . 1 . . . . . . . . 4171 2 139 . 2 2 30 30 THR N N 15 100.3 0.15 . 1 . . . . . . . . 4171 2 140 . 2 2 31 31 THR H H 1 7.88 0.02 . 1 . . . . . . . . 4171 2 141 . 2 2 31 31 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 4171 2 142 . 2 2 31 31 THR C C 13 172.9 0.15 . 1 . . . . . . . . 4171 2 143 . 2 2 31 31 THR CA C 13 65.7 0.15 . 1 . . . . . . . . 4171 2 144 . 2 2 31 31 THR N N 15 113.8 0.15 . 1 . . . . . . . . 4171 2 145 . 2 2 32 32 TYR H H 1 6.72 0.02 . 1 . . . . . . . . 4171 2 146 . 2 2 32 32 TYR HA H 1 4.92 0.02 . 1 . . . . . . . . 4171 2 147 . 2 2 32 32 TYR CA C 13 54.8 0.15 . 1 . . . . . . . . 4171 2 148 . 2 2 32 32 TYR N N 15 114.7 0.15 . 1 . . . . . . . . 4171 2 149 . 2 2 33 33 PRO HA H 1 4.62 0.02 . 1 . . . . . . . . 4171 2 150 . 2 2 33 33 PRO C C 13 175.8 0.15 . 1 . . . . . . . . 4171 2 151 . 2 2 33 33 PRO CA C 13 61.9 0.15 . 1 . . . . . . . . 4171 2 152 . 2 2 34 34 ILE H H 1 8.50 0.02 . 1 . . . . . . . . 4171 2 153 . 2 2 34 34 ILE HA H 1 4.51 0.02 . 1 . . . . . . . . 4171 2 154 . 2 2 34 34 ILE C C 13 175.4 0.15 . 1 . . . . . . . . 4171 2 155 . 2 2 34 34 ILE CA C 13 61.2 0.15 . 1 . . . . . . . . 4171 2 156 . 2 2 34 34 ILE N N 15 120.1 0.15 . 1 . . . . . . . . 4171 2 157 . 2 2 35 35 GLU H H 1 8.95 0.02 . 1 . . . . . . . . 4171 2 158 . 2 2 35 35 GLU HA H 1 4.82 0.02 . 1 . . . . . . . . 4171 2 159 . 2 2 35 35 GLU C C 13 176.3 0.15 . 1 . . . . . . . . 4171 2 160 . 2 2 35 35 GLU CA C 13 53.7 0.15 . 1 . . . . . . . . 4171 2 161 . 2 2 35 35 GLU N N 15 124.4 0.15 . 1 . . . . . . . . 4171 2 162 . 2 2 36 36 TRP H H 1 8.50 0.02 . 1 . . . . . . . . 4171 2 163 . 2 2 36 36 TRP HA H 1 5.69 0.02 . 1 . . . . . . . . 4171 2 164 . 2 2 36 36 TRP C C 13 175.6 0.15 . 1 . . . . . . . . 4171 2 165 . 2 2 36 36 TRP CA C 13 56.0 0.15 . 1 . . . . . . . . 4171 2 166 . 2 2 36 36 TRP N N 15 117.1 0.15 . 1 . . . . . . . . 4171 2 167 . 2 2 37 37 MET H H 1 9.57 0.02 . 1 . . . . . . . . 4171 2 168 . 2 2 37 37 MET HA H 1 5.36 0.02 . 1 . . . . . . . . 4171 2 169 . 2 2 37 37 MET C C 13 173.8 0.15 . 1 . . . . . . . . 4171 2 170 . 2 2 37 37 MET CA C 13 54.5 0.15 . 1 . . . . . . . . 4171 2 171 . 2 2 37 37 MET N N 15 121.0 0.15 . 1 . . . . . . . . 4171 2 172 . 2 2 38 38 LYS H H 1 9.18 0.02 . 1 . . . . . . . . 4171 2 173 . 2 2 38 38 LYS HA H 1 4.49 0.02 . 1 . . . . . . . . 4171 2 174 . 2 2 38 38 LYS C C 13 174.5 0.15 . 1 . . . . . . . . 4171 2 175 . 2 2 38 38 LYS CA C 13 54.3 0.15 . 1 . . . . . . . . 4171 2 176 . 2 2 38 38 LYS N N 15 119.5 0.15 . 1 . . . . . . . . 4171 2 177 . 2 2 39 39 GLN H H 1 9.13 0.02 . 1 . . . . . . . . 4171 2 178 . 2 2 39 39 GLN HA H 1 4.81 0.02 . 1 . . . . . . . . 4171 2 179 . 2 2 39 39 GLN C C 13 175.4 0.15 . 1 . . . . . . . . 4171 2 180 . 2 2 39 39 GLN CA C 13 54.6 0.15 . 1 . . . . . . . . 4171 2 181 . 2 2 39 39 GLN N N 15 125.8 0.15 . 1 . . . . . . . . 4171 2 182 . 2 2 40 40 ASN H H 1 9.21 0.02 . 1 . . . . . . . . 4171 2 183 . 2 2 40 40 ASN HA H 1 4.49 0.02 . 1 . . . . . . . . 4171 2 184 . 2 2 40 40 ASN CA C 13 54.2 0.15 . 1 . . . . . . . . 4171 2 185 . 2 2 40 40 ASN N N 15 130.3 0.15 . 1 . . . . . . . . 4171 2 186 . 2 2 42 42 GLY HA2 H 1 3.59 0.02 . 1 . . . . . . . . 4171 2 187 . 2 2 42 42 GLY HA3 H 1 4.28 0.02 . 1 . . . . . . . . 4171 2 188 . 2 2 42 42 GLY C C 13 174.2 0.15 . 1 . . . . . . . . 4171 2 189 . 2 2 42 42 GLY CA C 13 45.7 0.15 . 1 . . . . . . . . 4171 2 190 . 2 2 43 43 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 4171 2 191 . 2 2 43 43 LYS HA H 1 4.77 0.02 . 1 . . . . . . . . 4171 2 192 . 2 2 43 43 LYS C C 13 175.4 0.15 . 1 . . . . . . . . 4171 2 193 . 2 2 43 43 LYS CA C 13 54.5 0.15 . 1 . . . . . . . . 4171 2 194 . 2 2 43 43 LYS N N 15 119.1 0.15 . 1 . . . . . . . . 4171 2 195 . 2 2 44 44 SER H H 1 7.83 0.02 . 1 . . . . . . . . 4171 2 196 . 2 2 44 44 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4171 2 197 . 2 2 44 44 SER C C 13 173.7 0.15 . 1 . . . . . . . . 4171 2 198 . 2 2 44 44 SER CA C 13 56.5 0.15 . 1 . . . . . . . . 4171 2 199 . 2 2 44 44 SER N N 15 111.8 0.15 . 1 . . . . . . . . 4171 2 200 . 2 2 45 45 LEU H H 1 7.00 0.02 . 1 . . . . . . . . 4171 2 201 . 2 2 45 45 LEU HA H 1 4.69 0.02 . 1 . . . . . . . . 4171 2 202 . 2 2 45 45 LEU C C 13 175.8 0.15 . 1 . . . . . . . . 4171 2 203 . 2 2 45 45 LEU CA C 13 56.2 0.15 . 1 . . . . . . . . 4171 2 204 . 2 2 45 45 LEU N N 15 119.8 0.15 . 1 . . . . . . . . 4171 2 205 . 2 2 46 46 GLU H H 1 8.88 0.02 . 1 . . . . . . . . 4171 2 206 . 2 2 46 46 GLU HA H 1 4.84 0.02 . 1 . . . . . . . . 4171 2 207 . 2 2 46 46 GLU C C 13 175.0 0.15 . 1 . . . . . . . . 4171 2 208 . 2 2 46 46 GLU CA C 13 55.2 0.15 . 1 . . . . . . . . 4171 2 209 . 2 2 46 46 GLU N N 15 117.7 0.15 . 1 . . . . . . . . 4171 2 210 . 2 2 47 47 TRP H H 1 9.90 0.02 . 1 . . . . . . . . 4171 2 211 . 2 2 47 47 TRP HA H 1 4.81 0.02 . 1 . . . . . . . . 4171 2 212 . 2 2 47 47 TRP C C 13 174.6 0.15 . 1 . . . . . . . . 4171 2 213 . 2 2 47 47 TRP CA C 13 59.3 0.15 . 1 . . . . . . . . 4171 2 214 . 2 2 47 47 TRP N N 15 126.5 0.15 . 1 . . . . . . . . 4171 2 215 . 2 2 48 48 ILE H H 1 9.10 0.02 . 1 . . . . . . . . 4171 2 216 . 2 2 48 48 ILE HA H 1 3.86 0.02 . 1 . . . . . . . . 4171 2 217 . 2 2 48 48 ILE C C 13 174.7 0.15 . 1 . . . . . . . . 4171 2 218 . 2 2 48 48 ILE CA C 13 62.8 0.15 . 1 . . . . . . . . 4171 2 219 . 2 2 48 48 ILE N N 15 128.4 0.15 . 1 . . . . . . . . 4171 2 220 . 2 2 49 49 GLY H H 1 6.11 0.02 . 1 . . . . . . . . 4171 2 221 . 2 2 49 49 GLY HA2 H 1 2.67 0.02 . 1 . . . . . . . . 4171 2 222 . 2 2 49 49 GLY HA3 H 1 3.50 0.02 . 1 . . . . . . . . 4171 2 223 . 2 2 49 49 GLY C C 13 170.3 0.15 . 1 . . . . . . . . 4171 2 224 . 2 2 49 49 GLY CA C 13 45.8 0.15 . 1 . . . . . . . . 4171 2 225 . 2 2 49 49 GLY N N 15 102.8 0.15 . 1 . . . . . . . . 4171 2 226 . 2 2 50 50 ASN H H 1 8.79 0.02 . 1 . . . . . . . . 4171 2 227 . 2 2 50 50 ASN HA H 1 4.22 0.02 . 1 . . . . . . . . 4171 2 228 . 2 2 50 50 ASN C C 13 172.3 0.15 . 1 . . . . . . . . 4171 2 229 . 2 2 50 50 ASN CA C 13 51.0 0.15 . 1 . . . . . . . . 4171 2 230 . 2 2 50 50 ASN N N 15 113.1 0.15 . 1 . . . . . . . . 4171 2 231 . 2 2 51 51 PHE H H 1 8.03 0.02 . 1 . . . . . . . . 4171 2 232 . 2 2 51 51 PHE HA H 1 4.73 0.02 . 1 . . . . . . . . 4171 2 233 . 2 2 51 51 PHE C C 13 173.9 0.15 . 1 . . . . . . . . 4171 2 234 . 2 2 51 51 PHE CA C 13 56.1 0.15 . 1 . . . . . . . . 4171 2 235 . 2 2 51 51 PHE N N 15 116.8 0.15 . 1 . . . . . . . . 4171 2 236 . 2 2 52 52 HIS H H 1 8.35 0.02 . 1 . . . . . . . . 4171 2 237 . 2 2 52 52 HIS HA H 1 4.85 0.02 . 1 . . . . . . . . 4171 2 238 . 2 2 52 52 HIS CA C 13 53.5 0.15 . 1 . . . . . . . . 4171 2 239 . 2 2 52 52 HIS N N 15 130.3 0.15 . 1 . . . . . . . . 4171 2 240 . 2 2 53 53 PRO HA H 1 4.66 0.02 . 1 . . . . . . . . 4171 2 241 . 2 2 53 53 PRO C C 13 176.2 0.15 . 1 . . . . . . . . 4171 2 242 . 2 2 53 53 PRO CA C 13 62.9 0.15 . 1 . . . . . . . . 4171 2 243 . 2 2 54 54 TYR H H 1 8.47 0.02 . 1 . . . . . . . . 4171 2 244 . 2 2 54 54 TYR HA H 1 4.10 0.02 . 1 . . . . . . . . 4171 2 245 . 2 2 54 54 TYR C C 13 176.6 0.15 . 1 . . . . . . . . 4171 2 246 . 2 2 54 54 TYR CA C 13 62.5 0.15 . 1 . . . . . . . . 4171 2 247 . 2 2 54 54 TYR N N 15 120.4 0.15 . 1 . . . . . . . . 4171 2 248 . 2 2 55 55 SER H H 1 6.81 0.02 . 1 . . . . . . . . 4171 2 249 . 2 2 55 55 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 4171 2 250 . 2 2 55 55 SER C C 13 173.9 0.15 . 1 . . . . . . . . 4171 2 251 . 2 2 55 55 SER CA C 13 56.5 0.15 . 1 . . . . . . . . 4171 2 252 . 2 2 55 55 SER N N 15 107.0 0.15 . 1 . . . . . . . . 4171 2 253 . 2 2 56 56 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 4171 2 254 . 2 2 56 56 ASP HA H 1 4.01 0.02 . 1 . . . . . . . . 4171 2 255 . 2 2 56 56 ASP C C 13 173.7 0.15 . 1 . . . . . . . . 4171 2 256 . 2 2 56 56 ASP CA C 13 56.1 0.15 . 1 . . . . . . . . 4171 2 257 . 2 2 56 56 ASP N N 15 120.1 0.15 . 1 . . . . . . . . 4171 2 258 . 2 2 57 57 ASP H H 1 7.03 0.02 . 1 . . . . . . . . 4171 2 259 . 2 2 57 57 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 4171 2 260 . 2 2 57 57 ASP C C 13 176.1 0.15 . 1 . . . . . . . . 4171 2 261 . 2 2 57 57 ASP CA C 13 53.5 0.15 . 1 . . . . . . . . 4171 2 262 . 2 2 57 57 ASP N N 15 115.9 0.15 . 1 . . . . . . . . 4171 2 263 . 2 2 58 58 THR H H 1 8.38 0.02 . 1 . . . . . . . . 4171 2 264 . 2 2 58 58 THR HA H 1 4.78 0.02 . 1 . . . . . . . . 4171 2 265 . 2 2 58 58 THR C C 13 173.6 0.15 . 1 . . . . . . . . 4171 2 266 . 2 2 58 58 THR CA C 13 59.0 0.15 . 1 . . . . . . . . 4171 2 267 . 2 2 58 58 THR N N 15 110.5 0.15 . 1 . . . . . . . . 4171 2 268 . 2 2 59 59 ASN H H 1 7.59 0.02 . 1 . . . . . . . . 4171 2 269 . 2 2 59 59 ASN HA H 1 4.89 0.02 . 1 . . . . . . . . 4171 2 270 . 2 2 59 59 ASN C C 13 173.6 0.15 . 1 . . . . . . . . 4171 2 271 . 2 2 59 59 ASN CA C 13 52.2 0.15 . 1 . . . . . . . . 4171 2 272 . 2 2 59 59 ASN N N 15 118.4 0.15 . 1 . . . . . . . . 4171 2 273 . 2 2 60 60 TYR H H 1 8.55 0.02 . 1 . . . . . . . . 4171 2 274 . 2 2 60 60 TYR HA H 1 4.88 0.02 . 1 . . . . . . . . 4171 2 275 . 2 2 60 60 TYR C C 13 176.6 0.15 . 1 . . . . . . . . 4171 2 276 . 2 2 60 60 TYR CA C 13 57.4 0.15 . 1 . . . . . . . . 4171 2 277 . 2 2 60 60 TYR N N 15 118.8 0.15 . 1 . . . . . . . . 4171 2 278 . 2 2 61 61 ASN H H 1 8.61 0.02 . 1 . . . . . . . . 4171 2 279 . 2 2 61 61 ASN HA H 1 4.92 0.02 . 1 . . . . . . . . 4171 2 280 . 2 2 61 61 ASN C C 13 177.8 0.15 . 1 . . . . . . . . 4171 2 281 . 2 2 61 61 ASN CA C 13 53.1 0.15 . 1 . . . . . . . . 4171 2 282 . 2 2 61 61 ASN N N 15 121.6 0.15 . 1 . . . . . . . . 4171 2 283 . 2 2 62 62 GLU H H 1 9.98 0.02 . 1 . . . . . . . . 4171 2 284 . 2 2 62 62 GLU HA H 1 3.97 0.02 . 1 . . . . . . . . 4171 2 285 . 2 2 62 62 GLU C C 13 177.9 0.15 . 1 . . . . . . . . 4171 2 286 . 2 2 62 62 GLU CA C 13 59.9 0.15 . 1 . . . . . . . . 4171 2 287 . 2 2 62 62 GLU N N 15 132.0 0.15 . 1 . . . . . . . . 4171 2 288 . 2 2 63 63 LYS H H 1 7.93 0.02 . 1 . . . . . . . . 4171 2 289 . 2 2 63 63 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 4171 2 290 . 2 2 63 63 LYS C C 13 177.0 0.15 . 1 . . . . . . . . 4171 2 291 . 2 2 63 63 LYS CA C 13 58.5 0.15 . 1 . . . . . . . . 4171 2 292 . 2 2 63 63 LYS N N 15 115.0 0.15 . 1 . . . . . . . . 4171 2 293 . 2 2 64 64 PHE H H 1 8.04 0.02 . 1 . . . . . . . . 4171 2 294 . 2 2 64 64 PHE HA H 1 4.72 0.02 . 1 . . . . . . . . 4171 2 295 . 2 2 64 64 PHE C C 13 175.3 0.15 . 1 . . . . . . . . 4171 2 296 . 2 2 64 64 PHE CA C 13 57.6 0.15 . 1 . . . . . . . . 4171 2 297 . 2 2 64 64 PHE N N 15 113.3 0.15 . 1 . . . . . . . . 4171 2 298 . 2 2 65 65 LYS H H 1 7.40 0.02 . 1 . . . . . . . . 4171 2 299 . 2 2 65 65 LYS HA H 1 3.70 0.02 . 1 . . . . . . . . 4171 2 300 . 2 2 65 65 LYS C C 13 175.5 0.15 . 1 . . . . . . . . 4171 2 301 . 2 2 65 65 LYS CA C 13 58.9 0.15 . 1 . . . . . . . . 4171 2 302 . 2 2 65 65 LYS N N 15 122.8 0.15 . 1 . . . . . . . . 4171 2 303 . 2 2 66 66 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 4171 2 304 . 2 2 66 66 GLY HA2 H 1 3.68 0.02 . 1 . . . . . . . . 4171 2 305 . 2 2 66 66 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 4171 2 306 . 2 2 66 66 GLY C C 13 173.7 0.15 . 1 . . . . . . . . 4171 2 307 . 2 2 66 66 GLY CA C 13 45.6 0.15 . 1 . . . . . . . . 4171 2 308 . 2 2 66 66 GLY N N 15 108.5 0.15 . 1 . . . . . . . . 4171 2 309 . 2 2 67 67 LYS H H 1 7.47 0.02 . 1 . . . . . . . . 4171 2 310 . 2 2 67 67 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 4171 2 311 . 2 2 67 67 LYS C C 13 174.5 0.15 . 1 . . . . . . . . 4171 2 312 . 2 2 67 67 LYS CA C 13 56.5 0.15 . 1 . . . . . . . . 4171 2 313 . 2 2 67 67 LYS N N 15 119.4 0.15 . 1 . . . . . . . . 4171 2 314 . 2 2 68 68 ALA H H 1 7.40 0.02 . 1 . . . . . . . . 4171 2 315 . 2 2 68 68 ALA HA H 1 4.93 0.02 . 1 . . . . . . . . 4171 2 316 . 2 2 68 68 ALA C C 13 175.5 0.15 . 1 . . . . . . . . 4171 2 317 . 2 2 68 68 ALA CA C 13 50.1 0.15 . 1 . . . . . . . . 4171 2 318 . 2 2 68 68 ALA N N 15 119.1 0.15 . 1 . . . . . . . . 4171 2 319 . 2 2 69 69 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 4171 2 320 . 2 2 69 69 LYS HA H 1 4.72 0.02 . 1 . . . . . . . . 4171 2 321 . 2 2 69 69 LYS C C 13 175.4 0.15 . 1 . . . . . . . . 4171 2 322 . 2 2 69 69 LYS CA C 13 55.8 0.15 . 1 . . . . . . . . 4171 2 323 . 2 2 69 69 LYS N N 15 119.5 0.15 . 1 . . . . . . . . 4171 2 324 . 2 2 70 70 LEU H H 1 8.28 0.02 . 1 . . . . . . . . 4171 2 325 . 2 2 70 70 LEU HA H 1 5.48 0.02 . 1 . . . . . . . . 4171 2 326 . 2 2 70 70 LEU C C 13 175.4 0.15 . 1 . . . . . . . . 4171 2 327 . 2 2 70 70 LEU CA C 13 53.6 0.15 . 1 . . . . . . . . 4171 2 328 . 2 2 70 70 LEU N N 15 130.1 0.15 . 1 . . . . . . . . 4171 2 329 . 2 2 71 71 THR H H 1 8.42 0.02 . 1 . . . . . . . . 4171 2 330 . 2 2 71 71 THR HA H 1 4.43 0.02 . 1 . . . . . . . . 4171 2 331 . 2 2 71 71 THR C C 13 172.2 0.15 . 1 . . . . . . . . 4171 2 332 . 2 2 71 71 THR CA C 13 59.9 0.15 . 1 . . . . . . . . 4171 2 333 . 2 2 71 71 THR N N 15 111.8 0.15 . 1 . . . . . . . . 4171 2 334 . 2 2 72 72 VAL H H 1 8.34 0.02 . 1 . . . . . . . . 4171 2 335 . 2 2 72 72 VAL HA H 1 5.12 0.02 . 1 . . . . . . . . 4171 2 336 . 2 2 72 72 VAL C C 13 172.9 0.15 . 1 . . . . . . . . 4171 2 337 . 2 2 72 72 VAL CA C 13 58.8 0.15 . 1 . . . . . . . . 4171 2 338 . 2 2 72 72 VAL N N 15 117.1 0.15 . 1 . . . . . . . . 4171 2 339 . 2 2 73 73 GLU H H 1 8.87 0.02 . 1 . . . . . . . . 4171 2 340 . 2 2 73 73 GLU HA H 1 4.73 0.02 . 1 . . . . . . . . 4171 2 341 . 2 2 73 73 GLU C C 13 173.4 0.15 . 1 . . . . . . . . 4171 2 342 . 2 2 73 73 GLU CA C 13 55.5 0.15 . 1 . . . . . . . . 4171 2 343 . 2 2 73 73 GLU N N 15 127.3 0.15 . 1 . . . . . . . . 4171 2 344 . 2 2 74 74 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 4171 2 345 . 2 2 74 74 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 4171 2 346 . 2 2 74 74 LYS CA C 13 54.8 0.15 . 1 . . . . . . . . 4171 2 347 . 2 2 74 74 LYS N N 15 116.3 0.15 . 1 . . . . . . . . 4171 2 348 . 2 2 75 75 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 4171 2 349 . 2 2 75 75 SER C C 13 175.1 0.15 . 1 . . . . . . . . 4171 2 350 . 2 2 75 75 SER CA C 13 61.2 0.15 . 1 . . . . . . . . 4171 2 351 . 2 2 76 76 SER H H 1 7.29 0.02 . 1 . . . . . . . . 4171 2 352 . 2 2 76 76 SER HA H 1 4.68 0.02 . 1 . . . . . . . . 4171 2 353 . 2 2 76 76 SER C C 13 174.8 0.15 . 1 . . . . . . . . 4171 2 354 . 2 2 76 76 SER CA C 13 56.8 0.15 . 1 . . . . . . . . 4171 2 355 . 2 2 76 76 SER N N 15 113.6 0.15 . 1 . . . . . . . . 4171 2 356 . 2 2 77 77 SER H H 1 7.54 0.02 . 1 . . . . . . . . 4171 2 357 . 2 2 77 77 SER HA H 1 2.18 0.02 . 1 . . . . . . . . 4171 2 358 . 2 2 77 77 SER C C 13 171.5 0.15 . 1 . . . . . . . . 4171 2 359 . 2 2 77 77 SER CA C 13 58.1 0.15 . 1 . . . . . . . . 4171 2 360 . 2 2 77 77 SER N N 15 116.3 0.15 . 1 . . . . . . . . 4171 2 361 . 2 2 78 78 THR H H 1 7.27 0.02 . 1 . . . . . . . . 4171 2 362 . 2 2 78 78 THR HA H 1 4.96 0.02 . 1 . . . . . . . . 4171 2 363 . 2 2 78 78 THR C C 13 172.7 0.15 . 1 . . . . . . . . 4171 2 364 . 2 2 78 78 THR CA C 13 61.5 0.15 . 1 . . . . . . . . 4171 2 365 . 2 2 78 78 THR N N 15 111.4 0.15 . 1 . . . . . . . . 4171 2 366 . 2 2 79 79 VAL H H 1 8.49 0.02 . 1 . . . . . . . . 4171 2 367 . 2 2 79 79 VAL HA H 1 4.66 0.02 . 1 . . . . . . . . 4171 2 368 . 2 2 79 79 VAL C C 13 173.5 0.15 . 1 . . . . . . . . 4171 2 369 . 2 2 79 79 VAL CA C 13 60.3 0.15 . 1 . . . . . . . . 4171 2 370 . 2 2 79 79 VAL N N 15 124.1 0.15 . 1 . . . . . . . . 4171 2 371 . 2 2 80 80 TYR H H 1 8.87 0.02 . 1 . . . . . . . . 4171 2 372 . 2 2 80 80 TYR HA H 1 5.42 0.02 . 1 . . . . . . . . 4171 2 373 . 2 2 80 80 TYR C C 13 174.1 0.15 . 1 . . . . . . . . 4171 2 374 . 2 2 80 80 TYR CA C 13 56.1 0.15 . 1 . . . . . . . . 4171 2 375 . 2 2 80 80 TYR N N 15 125.2 0.15 . 1 . . . . . . . . 4171 2 376 . 2 2 81 81 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 4171 2 377 . 2 2 81 81 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 4171 2 378 . 2 2 81 81 LEU C C 13 173.9 0.15 . 1 . . . . . . . . 4171 2 379 . 2 2 81 81 LEU CA C 13 53.2 0.15 . 1 . . . . . . . . 4171 2 380 . 2 2 81 81 LEU N N 15 121.5 0.15 . 1 . . . . . . . . 4171 2 381 . 2 2 82 82 GLU H H 1 8.75 0.02 . 1 . . . . . . . . 4171 2 382 . 2 2 82 82 GLU HA H 1 5.41 0.02 . 1 . . . . . . . . 4171 2 383 . 2 2 82 82 GLU C C 13 174.7 0.15 . 1 . . . . . . . . 4171 2 384 . 2 2 82 82 GLU CA C 13 53.7 0.15 . 1 . . . . . . . . 4171 2 385 . 2 2 82 82 GLU N N 15 127.0 0.15 . 1 . . . . . . . . 4171 2 386 . 2 2 83 83 PHE H H 1 8.73 0.02 . 1 . . . . . . . . 4171 2 387 . 2 2 83 83 PHE HA H 1 5.28 0.02 . 1 . . . . . . . . 4171 2 388 . 2 2 83 83 PHE C C 13 175.1 0.15 . 1 . . . . . . . . 4171 2 389 . 2 2 83 83 PHE CA C 13 56.6 0.15 . 1 . . . . . . . . 4171 2 390 . 2 2 83 83 PHE N N 15 129.2 0.15 . 1 . . . . . . . . 4171 2 391 . 2 2 84 84 SER H H 1 8.18 0.02 . 1 . . . . . . . . 4171 2 392 . 2 2 84 84 SER HA H 1 4.75 0.02 . 1 . . . . . . . . 4171 2 393 . 2 2 84 84 SER C C 13 172.2 0.15 . 1 . . . . . . . . 4171 2 394 . 2 2 84 84 SER CA C 13 57.8 0.15 . 1 . . . . . . . . 4171 2 395 . 2 2 84 84 SER N N 15 118.1 0.15 . 1 . . . . . . . . 4171 2 396 . 2 2 85 85 ARG H H 1 8.30 0.02 . 1 . . . . . . . . 4171 2 397 . 2 2 85 85 ARG HA H 1 3.58 0.02 . 1 . . . . . . . . 4171 2 398 . 2 2 85 85 ARG C C 13 176.3 0.15 . 1 . . . . . . . . 4171 2 399 . 2 2 85 85 ARG CA C 13 56.0 0.15 . 1 . . . . . . . . 4171 2 400 . 2 2 85 85 ARG N N 15 117.3 0.15 . 1 . . . . . . . . 4171 2 401 . 2 2 86 86 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 4171 2 402 . 2 2 86 86 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 4171 2 403 . 2 2 86 86 LEU C C 13 178.6 0.15 . 1 . . . . . . . . 4171 2 404 . 2 2 86 86 LEU CA C 13 56.2 0.15 . 1 . . . . . . . . 4171 2 405 . 2 2 86 86 LEU N N 15 117.5 0.15 . 1 . . . . . . . . 4171 2 406 . 2 2 87 87 THR H H 1 9.45 0.02 . 1 . . . . . . . . 4171 2 407 . 2 2 87 87 THR HA H 1 4.78 0.02 . 1 . . . . . . . . 4171 2 408 . 2 2 87 87 THR CA C 13 59.4 0.15 . 1 . . . . . . . . 4171 2 409 . 2 2 87 87 THR N N 15 113.3 0.15 . 1 . . . . . . . . 4171 2 410 . 2 2 89 89 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 4171 2 411 . 2 2 89 89 ASP C C 13 176.1 0.15 . 1 . . . . . . . . 4171 2 412 . 2 2 89 89 ASP CA C 13 56.0 0.15 . 1 . . . . . . . . 4171 2 413 . 2 2 90 90 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 4171 2 414 . 2 2 90 90 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 4171 2 415 . 2 2 90 90 ASP C C 13 176.4 0.15 . 1 . . . . . . . . 4171 2 416 . 2 2 90 90 ASP CA C 13 54.7 0.15 . 1 . . . . . . . . 4171 2 417 . 2 2 90 90 ASP N N 15 117.7 0.15 . 1 . . . . . . . . 4171 2 418 . 2 2 91 91 SER H H 1 7.37 0.02 . 1 . . . . . . . . 4171 2 419 . 2 2 91 91 SER HA H 1 4.76 0.02 . 1 . . . . . . . . 4171 2 420 . 2 2 91 91 SER C C 13 173.0 0.15 . 1 . . . . . . . . 4171 2 421 . 2 2 91 91 SER CA C 13 59.1 0.15 . 1 . . . . . . . . 4171 2 422 . 2 2 91 91 SER N N 15 118.0 0.15 . 1 . . . . . . . . 4171 2 423 . 2 2 92 92 ALA H H 1 8.68 0.02 . 1 . . . . . . . . 4171 2 424 . 2 2 92 92 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 4171 2 425 . 2 2 92 92 ALA C C 13 174.2 0.15 . 1 . . . . . . . . 4171 2 426 . 2 2 92 92 ALA CA C 13 51.6 0.15 . 1 . . . . . . . . 4171 2 427 . 2 2 92 92 ALA N N 15 129.6 0.15 . 1 . . . . . . . . 4171 2 428 . 2 2 93 93 VAL H H 1 7.65 0.02 . 1 . . . . . . . . 4171 2 429 . 2 2 93 93 VAL HA H 1 4.55 0.02 . 1 . . . . . . . . 4171 2 430 . 2 2 93 93 VAL C C 13 174.1 0.15 . 1 . . . . . . . . 4171 2 431 . 2 2 93 93 VAL CA C 13 61.7 0.15 . 1 . . . . . . . . 4171 2 432 . 2 2 93 93 VAL N N 15 118.1 0.15 . 1 . . . . . . . . 4171 2 433 . 2 2 94 94 TYR H H 1 8.64 0.02 . 1 . . . . . . . . 4171 2 434 . 2 2 94 94 TYR HA H 1 5.17 0.02 . 1 . . . . . . . . 4171 2 435 . 2 2 94 94 TYR C C 13 176.7 0.15 . 1 . . . . . . . . 4171 2 436 . 2 2 94 94 TYR CA C 13 56.3 0.15 . 1 . . . . . . . . 4171 2 437 . 2 2 94 94 TYR N N 15 125.1 0.15 . 1 . . . . . . . . 4171 2 438 . 2 2 95 95 TYR H H 1 9.42 0.02 . 1 . . . . . . . . 4171 2 439 . 2 2 95 95 TYR HA H 1 5.28 0.02 . 1 . . . . . . . . 4171 2 440 . 2 2 95 95 TYR C C 13 174.7 0.15 . 1 . . . . . . . . 4171 2 441 . 2 2 95 95 TYR CA C 13 58.1 0.15 . 1 . . . . . . . . 4171 2 442 . 2 2 95 95 TYR N N 15 122.1 0.15 . 1 . . . . . . . . 4171 2 443 . 2 2 96 96 CYS H H 1 7.13 0.02 . 1 . . . . . . . . 4171 2 444 . 2 2 96 96 CYS HA H 1 5.30 0.02 . 1 . . . . . . . . 4171 2 445 . 2 2 96 96 CYS C C 13 171.9 0.15 . 1 . . . . . . . . 4171 2 446 . 2 2 96 96 CYS CA C 13 52.2 0.15 . 1 . . . . . . . . 4171 2 447 . 2 2 96 96 CYS N N 15 113.6 0.15 . 1 . . . . . . . . 4171 2 448 . 2 2 97 97 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 4171 2 449 . 2 2 97 97 ALA HA H 1 4.52 0.02 . 1 . . . . . . . . 4171 2 450 . 2 2 97 97 ALA C C 13 175.0 0.15 . 1 . . . . . . . . 4171 2 451 . 2 2 97 97 ALA CA C 13 51.9 0.15 . 1 . . . . . . . . 4171 2 452 . 2 2 97 97 ALA N N 15 121.2 0.15 . 1 . . . . . . . . 4171 2 453 . 2 2 98 98 ILE H H 1 8.00 0.02 . 1 . . . . . . . . 4171 2 454 . 2 2 98 98 ILE HA H 1 5.04 0.02 . 1 . . . . . . . . 4171 2 455 . 2 2 98 98 ILE CA C 13 59.6 0.15 . 1 . . . . . . . . 4171 2 456 . 2 2 98 98 ILE N N 15 109.3 0.15 . 1 . . . . . . . . 4171 2 457 . 2 2 99 99 HIS HA H 1 4.97 0.02 . 1 . . . . . . . . 4171 2 458 . 2 2 99 99 HIS C C 13 173.3 0.15 . 1 . . . . . . . . 4171 2 459 . 2 2 99 99 HIS CA C 13 54.6 0.15 . 1 . . . . . . . . 4171 2 460 . 2 2 100 100 TYR H H 1 10.61 0.02 . 1 . . . . . . . . 4171 2 461 . 2 2 100 100 TYR HA H 1 4.26 0.02 . 1 . . . . . . . . 4171 2 462 . 2 2 100 100 TYR C C 13 179.4 0.15 . 1 . . . . . . . . 4171 2 463 . 2 2 100 100 TYR CA C 13 59.8 0.15 . 1 . . . . . . . . 4171 2 464 . 2 2 100 100 TYR N N 15 125.7 0.15 . 1 . . . . . . . . 4171 2 465 . 2 2 101 101 GLY H H 1 11.32 0.02 . 1 . . . . . . . . 4171 2 466 . 2 2 101 101 GLY HA2 H 1 3.67 0.02 . 1 . . . . . . . . 4171 2 467 . 2 2 101 101 GLY HA3 H 1 3.84 0.02 . 1 . . . . . . . . 4171 2 468 . 2 2 101 101 GLY C C 13 173.6 0.15 . 1 . . . . . . . . 4171 2 469 . 2 2 101 101 GLY CA C 13 46.2 0.15 . 1 . . . . . . . . 4171 2 470 . 2 2 101 101 GLY N N 15 113.4 0.15 . 1 . . . . . . . . 4171 2 471 . 2 2 102 102 SER H H 1 7.87 0.02 . 1 . . . . . . . . 4171 2 472 . 2 2 102 102 SER HA H 1 4.57 0.02 . 1 . . . . . . . . 4171 2 473 . 2 2 102 102 SER CA C 13 57.2 0.15 . 1 . . . . . . . . 4171 2 474 . 2 2 102 102 SER N N 15 115.2 0.15 . 1 . . . . . . . . 4171 2 475 . 2 2 103 103 ALA H H 1 8.05 0.02 . 1 . . . . . . . . 4171 2 476 . 2 2 103 103 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 4171 2 477 . 2 2 103 103 ALA C C 13 178.5 0.15 . 1 . . . . . . . . 4171 2 478 . 2 2 103 103 ALA CA C 13 51.7 0.15 . 1 . . . . . . . . 4171 2 479 . 2 2 103 103 ALA N N 15 115.5 0.15 . 1 . . . . . . . . 4171 2 480 . 2 2 104 104 TYR H H 1 7.85 0.02 . 1 . . . . . . . . 4171 2 481 . 2 2 104 104 TYR HA H 1 3.97 0.02 . 1 . . . . . . . . 4171 2 482 . 2 2 104 104 TYR C C 13 177.7 0.15 . 1 . . . . . . . . 4171 2 483 . 2 2 104 104 TYR CA C 13 60.9 0.15 . 1 . . . . . . . . 4171 2 484 . 2 2 104 104 TYR N N 15 109.3 0.15 . 1 . . . . . . . . 4171 2 485 . 2 2 105 105 ALA H H 1 6.73 0.02 . 1 . . . . . . . . 4171 2 486 . 2 2 105 105 ALA HA H 1 4.81 0.02 . 1 . . . . . . . . 4171 2 487 . 2 2 105 105 ALA C C 13 173.6 0.15 . 1 . . . . . . . . 4171 2 488 . 2 2 105 105 ALA CA C 13 51.9 0.15 . 1 . . . . . . . . 4171 2 489 . 2 2 105 105 ALA N N 15 119.6 0.15 . 1 . . . . . . . . 4171 2 490 . 2 2 106 106 MET H H 1 6.65 0.02 . 1 . . . . . . . . 4171 2 491 . 2 2 106 106 MET HA H 1 4.30 0.02 . 1 . . . . . . . . 4171 2 492 . 2 2 106 106 MET C C 13 174.0 0.15 . 1 . . . . . . . . 4171 2 493 . 2 2 106 106 MET CA C 13 55.6 0.15 . 1 . . . . . . . . 4171 2 494 . 2 2 106 106 MET N N 15 118.6 0.15 . 1 . . . . . . . . 4171 2 495 . 2 2 107 107 ASP H H 1 10.26 0.02 . 1 . . . . . . . . 4171 2 496 . 2 2 107 107 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 4171 2 497 . 2 2 107 107 ASP C C 13 176.5 0.15 . 1 . . . . . . . . 4171 2 498 . 2 2 107 107 ASP CA C 13 53.3 0.15 . 1 . . . . . . . . 4171 2 499 . 2 2 107 107 ASP N N 15 122.3 0.15 . 1 . . . . . . . . 4171 2 500 . 2 2 108 108 TYR H H 1 7.46 0.02 . 1 . . . . . . . . 4171 2 501 . 2 2 108 108 TYR HA H 1 4.92 0.02 . 1 . . . . . . . . 4171 2 502 . 2 2 108 108 TYR C C 13 172.9 0.15 . 1 . . . . . . . . 4171 2 503 . 2 2 108 108 TYR CA C 13 59.1 0.15 . 1 . . . . . . . . 4171 2 504 . 2 2 108 108 TYR N N 15 119.4 0.15 . 1 . . . . . . . . 4171 2 505 . 2 2 109 109 TRP H H 1 8.74 0.02 . 1 . . . . . . . . 4171 2 506 . 2 2 109 109 TRP HA H 1 4.89 0.02 . 1 . . . . . . . . 4171 2 507 . 2 2 109 109 TRP C C 13 178.3 0.15 . 1 . . . . . . . . 4171 2 508 . 2 2 109 109 TRP CA C 13 56.3 0.15 . 1 . . . . . . . . 4171 2 509 . 2 2 109 109 TRP N N 15 121.2 0.15 . 1 . . . . . . . . 4171 2 510 . 2 2 110 110 GLY H H 1 9.20 0.02 . 1 . . . . . . . . 4171 2 511 . 2 2 110 110 GLY HA2 H 1 4.25 0.02 . 1 . . . . . . . . 4171 2 512 . 2 2 110 110 GLY HA3 H 1 4.62 0.02 . 1 . . . . . . . . 4171 2 513 . 2 2 110 110 GLY C C 13 172.4 0.15 . 1 . . . . . . . . 4171 2 514 . 2 2 110 110 GLY CA C 13 44.8 0.15 . 1 . . . . . . . . 4171 2 515 . 2 2 110 110 GLY N N 15 110.4 0.15 . 1 . . . . . . . . 4171 2 516 . 2 2 111 111 GLN H H 1 8.40 0.02 . 1 . . . . . . . . 4171 2 517 . 2 2 111 111 GLN HA H 1 4.48 0.02 . 1 . . . . . . . . 4171 2 518 . 2 2 111 111 GLN C C 13 177.3 0.15 . 1 . . . . . . . . 4171 2 519 . 2 2 111 111 GLN CA C 13 57.4 0.15 . 1 . . . . . . . . 4171 2 520 . 2 2 111 111 GLN N N 15 112.7 0.15 . 1 . . . . . . . . 4171 2 521 . 2 2 112 112 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 4171 2 522 . 2 2 112 112 GLY HA2 H 1 3.43 0.02 . 1 . . . . . . . . 4171 2 523 . 2 2 112 112 GLY HA3 H 1 3.67 0.02 . 1 . . . . . . . . 4171 2 524 . 2 2 112 112 GLY C C 13 172.7 0.15 . 1 . . . . . . . . 4171 2 525 . 2 2 112 112 GLY CA C 13 45.0 0.15 . 1 . . . . . . . . 4171 2 526 . 2 2 112 112 GLY N N 15 109.9 0.15 . 1 . . . . . . . . 4171 2 527 . 2 2 113 113 THR H H 1 8.62 0.02 . 1 . . . . . . . . 4171 2 528 . 2 2 113 113 THR HA H 1 4.31 0.02 . 1 . . . . . . . . 4171 2 529 . 2 2 113 113 THR C C 13 173.9 0.15 . 1 . . . . . . . . 4171 2 530 . 2 2 113 113 THR CA C 13 63.0 0.15 . 1 . . . . . . . . 4171 2 531 . 2 2 113 113 THR N N 15 121.4 0.15 . 1 . . . . . . . . 4171 2 532 . 2 2 114 114 SER H H 1 8.96 0.02 . 1 . . . . . . . . 4171 2 533 . 2 2 114 114 SER HA H 1 4.82 0.02 . 1 . . . . . . . . 4171 2 534 . 2 2 114 114 SER C C 13 173.3 0.15 . 1 . . . . . . . . 4171 2 535 . 2 2 114 114 SER CA C 13 58.0 0.15 . 1 . . . . . . . . 4171 2 536 . 2 2 114 114 SER N N 15 122.9 0.15 . 1 . . . . . . . . 4171 2 537 . 2 2 115 115 VAL H H 1 9.12 0.02 . 1 . . . . . . . . 4171 2 538 . 2 2 115 115 VAL HA H 1 4.76 0.02 . 1 . . . . . . . . 4171 2 539 . 2 2 115 115 VAL C C 13 175.7 0.15 . 1 . . . . . . . . 4171 2 540 . 2 2 115 115 VAL CA C 13 61.7 0.15 . 1 . . . . . . . . 4171 2 541 . 2 2 115 115 VAL N N 15 128.8 0.15 . 1 . . . . . . . . 4171 2 542 . 2 2 116 116 THR H H 1 8.70 0.02 . 1 . . . . . . . . 4171 2 543 . 2 2 116 116 THR HA H 1 4.46 0.02 . 1 . . . . . . . . 4171 2 544 . 2 2 116 116 THR C C 13 172.1 0.15 . 1 . . . . . . . . 4171 2 545 . 2 2 116 116 THR CA C 13 62.3 0.15 . 1 . . . . . . . . 4171 2 546 . 2 2 116 116 THR N N 15 124.6 0.15 . 1 . . . . . . . . 4171 2 547 . 2 2 117 117 VAL H H 1 8.44 0.02 . 1 . . . . . . . . 4171 2 548 . 2 2 117 117 VAL HA H 1 4.63 0.02 . 1 . . . . . . . . 4171 2 549 . 2 2 117 117 VAL C C 13 176.1 0.15 . 1 . . . . . . . . 4171 2 550 . 2 2 117 117 VAL CA C 13 60.4 0.15 . 1 . . . . . . . . 4171 2 551 . 2 2 117 117 VAL N N 15 128.7 0.15 . 1 . . . . . . . . 4171 2 552 . 2 2 118 118 SER H H 1 8.79 0.02 . 1 . . . . . . . . 4171 2 553 . 2 2 118 118 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 4171 2 554 . 2 2 118 118 SER C C 13 173.1 0.15 . 1 . . . . . . . . 4171 2 555 . 2 2 118 118 SER CA C 13 57.9 0.15 . 1 . . . . . . . . 4171 2 556 . 2 2 118 118 SER N N 15 122.6 0.15 . 1 . . . . . . . . 4171 2 557 . 2 2 119 119 SER H H 1 8.06 0.02 . 1 . . . . . . . . 4171 2 558 . 2 2 119 119 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 4171 2 559 . 2 2 119 119 SER CA C 13 60.7 0.15 . 1 . . . . . . . . 4171 2 560 . 2 2 119 119 SER N N 15 123.4 0.15 . 1 . . . . . . . . 4171 2 stop_ save_