data_16664 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16664 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments for lysozyme from bacteriophage lambda ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-04 _Entry.Accession_date 2010-01-04 _Entry.Last_release_date 2010-05-05 _Entry.Original_release_date 2010-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexandre 'Di Paolo' . . . 16664 2 Andre Matagne . . . 16664 3 Christina Redfield . . . 16664 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Centre d'Ingenierie des Proteines, Univ de Liege' . 16664 1 . 'Dept of Biochemistry, Univ of Oxford' . 16664 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16664 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 16664 '15N chemical shifts' 151 16664 '1H chemical shifts' 315 16664 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 . . 2010-05-05 2010-01-04 original author . 16664 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16664 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20300891 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C, and 15N resonance assignments for lysozyme from bacteriophage lambda.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 111 _Citation.Page_last 114 _Citation.Year 2010 _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 Alexandre 'Di Paolo' . . . 16664 1 2 Valerie Duval . . . 16664 1 3 Andre Matagne . . . 16664 1 4 Christina Redfield . . . 16664 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone resonance assignments' 16664 1 'bacteriophage lambda' 16664 1 'heteronuclear NMR' 16664 1 lysozyme 16664 1 'protein folding' 16664 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16664 _Assembly.ID 1 _Assembly.Name 'lambda lysozyme' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'lambda lysozyme' 1 $lambda_lysozyme A . yes native no no . . 'lambda lysozyme is a monomeric protein composed of a single polypeptide chain' 16664 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 1AM7 . . X-ray 2.3 'TRP residues are replaced by NZ2-TRP (TRN)' 'Evrard et al. J. Mol. Biol. 276, 151-164 (1998). PUBMED 9514719' 16664 1 yes PDB 1D9U . . X-ray 2.6 'in complex with chitohexasaccharide' 'Leung et al. Biochemistry 40, 5665-5673 (2001). PUBMED 11341831' 16664 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Lysozyme hydrolyzes the -1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' 16664 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lambda_lysozyme _Entity.Sf_category entity _Entity.Sf_framecode lambda_lysozyme _Entity.Entry_ID 16664 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lambda_lysozyme _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 ; MVEINNQRKAFLDMLAWSEG TDNGRQKTRNHGYDVIVGGE LFTDYSDHPRKLVTLNPKLK STGAGRYQLLSRWWDAYRKQ LGLKDFSPKSQDAVALQQIK ERGALPMIDRGDIRQAIDRC SNIWASLPGAGYGQFEHKAD SLIAKFKEAGGTVREIDV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.2.1.17 _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 2015-11-25 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 BMRB 19127 . lambda_lysozyme . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 16664 1 2 no PDB 1AM7 . "Lysozyme From Bacteriophage Lambda" . . . . . 100.00 158 97.47 97.47 7.41e-108 . . . . 16664 1 3 no PDB 1D9U . "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasacharide" . . . . . 97.47 154 100.00 100.00 2.81e-109 . . . . 16664 1 4 no PDB 3D3D . "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasaccharide" . . . . . 97.47 154 100.00 100.00 2.81e-109 . . . . 16664 1 5 no DBJ BAI26565 . "putative endolysin [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 16664 1 6 no EMBL CAP75477 . "Lysin (EC 32117) [Escherichia coli LF82]" . . . . . 91.77 145 97.93 99.31 8.62e-100 . . . . 16664 1 7 no EMBL CAQ31245 . "enterobacteria phage lambda, endolysin [Escherichia coli BL21(DE3)]" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 16664 1 8 no EMBL CAR03799 . "Lysozyme (Muramidase) (Endolysin) [Escherichia coli S88]" . . . . . 100.00 158 98.10 99.37 1.92e-110 . . . . 16664 1 9 no EMBL CBG33651 . "phage endolysin [Escherichia coli 042]" . . . . . 100.00 158 98.10 99.37 5.34e-111 . . . . 16664 1 10 no EMBL CCK47619 . "lysozyme [Escherichia coli chi7122]" . . . . . 100.00 158 99.37 99.37 1.12e-111 . . . . 16664 1 11 no GB AAA96598 . "R (cell lysis;158) [Enterobacteria phage lambda]" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 16664 1 12 no GB AAF30387 . "lysin [Enterobacteria phage HK022]" . . . . . 100.00 158 98.10 98.73 2.47e-110 . . . . 16664 1 13 no GB AAF31145 . "lysin [Enterobacteria phage HK97]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 16664 1 14 no GB AAK28884 . "lysozyme [Salmonella phage HK620]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 16664 1 15 no GB AAQ12247 . "gene 62 protein [Shigella phage Sf6]" . . . . . 100.00 158 98.10 98.73 1.86e-110 . . . . 16664 1 16 no PRF 711077A . endolysin . . . . . 100.00 157 97.47 99.37 1.26e-108 . . . . 16664 1 17 no REF NP_037696 . "lysin [Enterobacteria phage HK022]" . . . . . 100.00 158 98.10 98.73 2.47e-110 . . . . 16664 1 18 no REF NP_037753 . "lysin [Enterobacteria phage HK97]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 16664 1 19 no REF NP_040645 . "endolysin [Enterobacteria phage lambda]" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 16664 1 20 no REF NP_112069 . "lysozyme [Enterobacteria phage HK620]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 16664 1 21 no REF NP_958236 . "gene 62 protein [Enterobacteria phage Sf6]" . . . . . 100.00 158 98.10 98.73 1.86e-110 . . . . 16664 1 22 no SP P03706 . "RecName: Full=Endolysin; AltName: Full=Lysis protein; AltName: Full=Lysozyme; AltName: Full=Muramidase; AltName: Full=Transglyc" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 16664 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'lysozyme hydrolyzes the 1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' 16664 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 . MET . 16664 1 2 . VAL . 16664 1 3 . GLU . 16664 1 4 . ILE . 16664 1 5 . ASN . 16664 1 6 . ASN . 16664 1 7 . GLN . 16664 1 8 . ARG . 16664 1 9 . LYS . 16664 1 10 . ALA . 16664 1 11 . PHE . 16664 1 12 . LEU . 16664 1 13 . ASP . 16664 1 14 . MET . 16664 1 15 . LEU . 16664 1 16 . ALA . 16664 1 17 . TRP . 16664 1 18 . SER . 16664 1 19 . GLU . 16664 1 20 . GLY . 16664 1 21 . THR . 16664 1 22 . ASP . 16664 1 23 . ASN . 16664 1 24 . GLY . 16664 1 25 . ARG . 16664 1 26 . GLN . 16664 1 27 . LYS . 16664 1 28 . THR . 16664 1 29 . ARG . 16664 1 30 . ASN . 16664 1 31 . HIS . 16664 1 32 . GLY . 16664 1 33 . TYR . 16664 1 34 . ASP . 16664 1 35 . VAL . 16664 1 36 . ILE . 16664 1 37 . VAL . 16664 1 38 . GLY . 16664 1 39 . GLY . 16664 1 40 . GLU . 16664 1 41 . LEU . 16664 1 42 . PHE . 16664 1 43 . THR . 16664 1 44 . ASP . 16664 1 45 . TYR . 16664 1 46 . SER . 16664 1 47 . ASP . 16664 1 48 . HIS . 16664 1 49 . PRO . 16664 1 50 . ARG . 16664 1 51 . LYS . 16664 1 52 . LEU . 16664 1 53 . VAL . 16664 1 54 . THR . 16664 1 55 . LEU . 16664 1 56 . ASN . 16664 1 57 . PRO . 16664 1 58 . LYS . 16664 1 59 . LEU . 16664 1 60 . LYS . 16664 1 61 . SER . 16664 1 62 . THR . 16664 1 63 . GLY . 16664 1 64 . ALA . 16664 1 65 . GLY . 16664 1 66 . ARG . 16664 1 67 . TYR . 16664 1 68 . GLN . 16664 1 69 . LEU . 16664 1 70 . LEU . 16664 1 71 . SER . 16664 1 72 . ARG . 16664 1 73 . TRP . 16664 1 74 . TRP . 16664 1 75 . ASP . 16664 1 76 . ALA . 16664 1 77 . TYR . 16664 1 78 . ARG . 16664 1 79 . LYS . 16664 1 80 . GLN . 16664 1 81 . LEU . 16664 1 82 . GLY . 16664 1 83 . LEU . 16664 1 84 . LYS . 16664 1 85 . ASP . 16664 1 86 . PHE . 16664 1 87 . SER . 16664 1 88 . PRO . 16664 1 89 . LYS . 16664 1 90 . SER . 16664 1 91 . GLN . 16664 1 92 . ASP . 16664 1 93 . ALA . 16664 1 94 . VAL . 16664 1 95 . ALA . 16664 1 96 . LEU . 16664 1 97 . GLN . 16664 1 98 . GLN . 16664 1 99 . ILE . 16664 1 100 . LYS . 16664 1 101 . GLU . 16664 1 102 . ARG . 16664 1 103 . GLY . 16664 1 104 . ALA . 16664 1 105 . LEU . 16664 1 106 . PRO . 16664 1 107 . MET . 16664 1 108 . ILE . 16664 1 109 . ASP . 16664 1 110 . ARG . 16664 1 111 . GLY . 16664 1 112 . ASP . 16664 1 113 . ILE . 16664 1 114 . ARG . 16664 1 115 . GLN . 16664 1 116 . ALA . 16664 1 117 . ILE . 16664 1 118 . ASP . 16664 1 119 . ARG . 16664 1 120 . CYS . 16664 1 121 . SER . 16664 1 122 . ASN . 16664 1 123 . ILE . 16664 1 124 . TRP . 16664 1 125 . ALA . 16664 1 126 . SER . 16664 1 127 . LEU . 16664 1 128 . PRO . 16664 1 129 . GLY . 16664 1 130 . ALA . 16664 1 131 . GLY . 16664 1 132 . TYR . 16664 1 133 . GLY . 16664 1 134 . GLN . 16664 1 135 . PHE . 16664 1 136 . GLU . 16664 1 137 . HIS . 16664 1 138 . LYS . 16664 1 139 . ALA . 16664 1 140 . ASP . 16664 1 141 . SER . 16664 1 142 . LEU . 16664 1 143 . ILE . 16664 1 144 . ALA . 16664 1 145 . LYS . 16664 1 146 . PHE . 16664 1 147 . LYS . 16664 1 148 . GLU . 16664 1 149 . ALA . 16664 1 150 . GLY . 16664 1 151 . GLY . 16664 1 152 . THR . 16664 1 153 . VAL . 16664 1 154 . ARG . 16664 1 155 . GLU . 16664 1 156 . ILE . 16664 1 157 . ASP . 16664 1 158 . VAL . 16664 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 . MET 1 1 16664 1 . VAL 2 2 16664 1 . GLU 3 3 16664 1 . ILE 4 4 16664 1 . ASN 5 5 16664 1 . ASN 6 6 16664 1 . GLN 7 7 16664 1 . ARG 8 8 16664 1 . LYS 9 9 16664 1 . ALA 10 10 16664 1 . PHE 11 11 16664 1 . LEU 12 12 16664 1 . ASP 13 13 16664 1 . MET 14 14 16664 1 . LEU 15 15 16664 1 . ALA 16 16 16664 1 . TRP 17 17 16664 1 . SER 18 18 16664 1 . GLU 19 19 16664 1 . GLY 20 20 16664 1 . THR 21 21 16664 1 . ASP 22 22 16664 1 . ASN 23 23 16664 1 . GLY 24 24 16664 1 . ARG 25 25 16664 1 . GLN 26 26 16664 1 . LYS 27 27 16664 1 . THR 28 28 16664 1 . ARG 29 29 16664 1 . ASN 30 30 16664 1 . HIS 31 31 16664 1 . GLY 32 32 16664 1 . TYR 33 33 16664 1 . ASP 34 34 16664 1 . VAL 35 35 16664 1 . ILE 36 36 16664 1 . VAL 37 37 16664 1 . GLY 38 38 16664 1 . GLY 39 39 16664 1 . GLU 40 40 16664 1 . LEU 41 41 16664 1 . PHE 42 42 16664 1 . THR 43 43 16664 1 . ASP 44 44 16664 1 . TYR 45 45 16664 1 . SER 46 46 16664 1 . ASP 47 47 16664 1 . HIS 48 48 16664 1 . PRO 49 49 16664 1 . ARG 50 50 16664 1 . LYS 51 51 16664 1 . LEU 52 52 16664 1 . VAL 53 53 16664 1 . THR 54 54 16664 1 . LEU 55 55 16664 1 . ASN 56 56 16664 1 . PRO 57 57 16664 1 . LYS 58 58 16664 1 . LEU 59 59 16664 1 . LYS 60 60 16664 1 . SER 61 61 16664 1 . THR 62 62 16664 1 . GLY 63 63 16664 1 . ALA 64 64 16664 1 . GLY 65 65 16664 1 . ARG 66 66 16664 1 . TYR 67 67 16664 1 . GLN 68 68 16664 1 . LEU 69 69 16664 1 . LEU 70 70 16664 1 . SER 71 71 16664 1 . ARG 72 72 16664 1 . TRP 73 73 16664 1 . TRP 74 74 16664 1 . ASP 75 75 16664 1 . ALA 76 76 16664 1 . TYR 77 77 16664 1 . ARG 78 78 16664 1 . LYS 79 79 16664 1 . GLN 80 80 16664 1 . LEU 81 81 16664 1 . GLY 82 82 16664 1 . LEU 83 83 16664 1 . LYS 84 84 16664 1 . ASP 85 85 16664 1 . PHE 86 86 16664 1 . SER 87 87 16664 1 . PRO 88 88 16664 1 . LYS 89 89 16664 1 . SER 90 90 16664 1 . GLN 91 91 16664 1 . ASP 92 92 16664 1 . ALA 93 93 16664 1 . VAL 94 94 16664 1 . ALA 95 95 16664 1 . LEU 96 96 16664 1 . GLN 97 97 16664 1 . GLN 98 98 16664 1 . ILE 99 99 16664 1 . LYS 100 100 16664 1 . GLU 101 101 16664 1 . ARG 102 102 16664 1 . GLY 103 103 16664 1 . ALA 104 104 16664 1 . LEU 105 105 16664 1 . PRO 106 106 16664 1 . MET 107 107 16664 1 . ILE 108 108 16664 1 . ASP 109 109 16664 1 . ARG 110 110 16664 1 . GLY 111 111 16664 1 . ASP 112 112 16664 1 . ILE 113 113 16664 1 . ARG 114 114 16664 1 . GLN 115 115 16664 1 . ALA 116 116 16664 1 . ILE 117 117 16664 1 . ASP 118 118 16664 1 . ARG 119 119 16664 1 . CYS 120 120 16664 1 . SER 121 121 16664 1 . ASN 122 122 16664 1 . ILE 123 123 16664 1 . TRP 124 124 16664 1 . ALA 125 125 16664 1 . SER 126 126 16664 1 . LEU 127 127 16664 1 . PRO 128 128 16664 1 . GLY 129 129 16664 1 . ALA 130 130 16664 1 . GLY 131 131 16664 1 . TYR 132 132 16664 1 . GLY 133 133 16664 1 . GLN 134 134 16664 1 . PHE 135 135 16664 1 . GLU 136 136 16664 1 . HIS 137 137 16664 1 . LYS 138 138 16664 1 . ALA 139 139 16664 1 . ASP 140 140 16664 1 . SER 141 141 16664 1 . LEU 142 142 16664 1 . ILE 143 143 16664 1 . ALA 144 144 16664 1 . LYS 145 145 16664 1 . PHE 146 146 16664 1 . LYS 147 147 16664 1 . GLU 148 148 16664 1 . ALA 149 149 16664 1 . GLY 150 150 16664 1 . GLY 151 151 16664 1 . THR 152 152 16664 1 . VAL 153 153 16664 1 . ARG 154 154 16664 1 . GLU 155 155 16664 1 . ILE 156 156 16664 1 . ASP 157 157 16664 1 . VAL 158 158 16664 1 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 16664 _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 $lambda_lysozyme . 10710 virus . 'Enterobacteria phage lambda' 'Bacteriophage lambda' . . Viruses . 'Lambda-like viruses' 'Enterobacteria phage lambda' . . . . . . . . . . . . . . . . . . . . . 16664 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 16664 _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 $lambda_lysozyme . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . . . . 16664 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16664 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'lambda lysozyme' '[U-98% 15N]' . . 1 $lambda_lysozyme . . 1 . . mM . . . . 16664 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16664 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'lambda lysozyme' '[U-98% 13C; U-98% 15N]' . . 1 $lambda_lysozyme . . 1 . . mM . . . . 16664 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16664 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'no added buffer or salt' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 16664 1 pH 5.45 0.05 pH 16664 1 pressure 1 . atm 16664 1 temperature 293 0.5 K 16664 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16664 _Software.ID 1 _Software.Name FELIX _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16664 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16664 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750_MHz _NMR_spectrometer.Entry_ID 16664 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz _NMR_spectrometer.Entry_ID 16664 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16664 _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 1 750_MHz home-built home-built . 750 . . . 16664 1 2 600_MHz home-built home-built . 600 . . . 16664 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 16664 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $750_MHz . . . . . . . . . . . . . . . . 16664 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $750_MHz . . . . . . . . . . . . . . . . 16664 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $750_MHz . . . . . . . . . . . . . . . . 16664 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $750_MHz . . . . . . . . . . . . . . . . 16664 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $600_MHz . . . . . . . . . . . . . . . . 16664 1 6 '3D (H)C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $750_MHz . . . . . . . . . . . . . . . . 16664 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $750_MHz . . . . . . . . . . . . . . . . 16664 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16664 _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 water protons . . . . ppm 4.80 internal indirect 0.251449530 . . . . . . . . . 16664 1 H 1 water protons . . . . ppm 4.80 internal direct 1.0 . . . . . . . . . 16664 1 N 15 water protons . . . . ppm 4.80 internal indirect 0.101329118 . . . . . . . . . 16664 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16664 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'digital resolution after zerofilling' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16664 1 2 '3D 1H-15N NOESY' . . . 16664 1 3 '3D 1H-15N TOCSY' . . . 16664 1 4 '3D HNCA' . . . 16664 1 5 '3D HNCO' . . . 16664 1 6 '3D (H)C(CO)NH' . . . 16664 1 7 '3D HCCH-TOCSY' . . . 16664 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 MET HA H 1 4.16 0.045 . 1 . . . . 1 MET HA . 16664 1 2 . 1 1 1 1 MET C C 13 172.37 0.05 . 1 . . . . 1 MET C . 16664 1 3 . 1 1 1 1 MET CA C 13 55.06 0.10 . 1 . . . . 1 MET CA . 16664 1 4 . 1 1 2 2 VAL H H 1 8.745 0.01 . 1 . . . . 2 VAL H . 16664 1 5 . 1 1 2 2 VAL HA H 1 3.89 0.045 . 1 . . . . 2 VAL HA . 16664 1 6 . 1 1 2 2 VAL C C 13 174.91 0.05 . 1 . . . . 2 VAL C . 16664 1 7 . 1 1 2 2 VAL CA C 13 63.18 0.10 . 1 . . . . 2 VAL CA . 16664 1 8 . 1 1 2 2 VAL N N 15 125.392 0.06 . 1 . . . . 2 VAL N . 16664 1 9 . 1 1 3 3 GLU H H 1 8.585 0.01 . 1 . . . . 3 GLU H . 16664 1 10 . 1 1 3 3 GLU HA H 1 4.23 0.045 . 1 . . . . 3 GLU HA . 16664 1 11 . 1 1 3 3 GLU C C 13 175.77 0.05 . 1 . . . . 3 GLU C . 16664 1 12 . 1 1 3 3 GLU CA C 13 56.26 0.10 . 1 . . . . 3 GLU CA . 16664 1 13 . 1 1 3 3 GLU N N 15 126.548 0.06 . 1 . . . . 3 GLU N . 16664 1 14 . 1 1 4 4 ILE H H 1 8.545 0.01 . 1 . . . . 4 ILE H . 16664 1 15 . 1 1 4 4 ILE HA H 1 3.95 0.045 . 1 . . . . 4 ILE HA . 16664 1 16 . 1 1 4 4 ILE C C 13 175.37 0.05 . 1 . . . . 4 ILE C . 16664 1 17 . 1 1 4 4 ILE CA C 13 60.95 0.10 . 1 . . . . 4 ILE CA . 16664 1 18 . 1 1 4 4 ILE N N 15 122.704 0.06 . 1 . . . . 4 ILE N . 16664 1 19 . 1 1 5 5 ASN H H 1 6.963 0.01 . 1 . . . . 5 ASN H . 16664 1 20 . 1 1 5 5 ASN HA H 1 4.65 0.045 . 1 . . . . 5 ASN HA . 16664 1 21 . 1 1 5 5 ASN C C 13 175.37 0.05 . 1 . . . . 5 ASN C . 16664 1 22 . 1 1 5 5 ASN CA C 13 51.98 0.10 . 1 . . . . 5 ASN CA . 16664 1 23 . 1 1 5 5 ASN N N 15 120.191 0.06 . 1 . . . . 5 ASN N . 16664 1 24 . 1 1 6 6 ASN H H 1 8.780 0.01 . 1 . . . . 6 ASN H . 16664 1 25 . 1 1 6 6 ASN HA H 1 4.80 0.045 . 1 . . . . 6 ASN HA . 16664 1 26 . 1 1 6 6 ASN C C 13 177.94 0.05 . 1 . . . . 6 ASN C . 16664 1 27 . 1 1 6 6 ASN CA C 13 57.33 0.10 . 1 . . . . 6 ASN CA . 16664 1 28 . 1 1 6 6 ASN N N 15 117.201 0.06 . 1 . . . . 6 ASN N . 16664 1 29 . 1 1 7 7 GLN H H 1 8.022 0.01 . 1 . . . . 7 GLN H . 16664 1 30 . 1 1 7 7 GLN HA H 1 4.17 0.045 . 1 . . . . 7 GLN HA . 16664 1 31 . 1 1 7 7 GLN C C 13 177.79 0.05 . 1 . . . . 7 GLN C . 16664 1 32 . 1 1 7 7 GLN CA C 13 58.53 0.10 . 1 . . . . 7 GLN CA . 16664 1 33 . 1 1 7 7 GLN N N 15 119.910 0.06 . 1 . . . . 7 GLN N . 16664 1 34 . 1 1 8 8 ARG H H 1 8.642 0.01 . 1 . . . . 8 ARG H . 16664 1 35 . 1 1 8 8 ARG HA H 1 3.86 0.045 . 1 . . . . 8 ARG HA . 16664 1 36 . 1 1 8 8 ARG C C 13 177.73 0.05 . 1 . . . . 8 ARG C . 16664 1 37 . 1 1 8 8 ARG CA C 13 59.86 0.10 . 1 . . . . 8 ARG CA . 16664 1 38 . 1 1 8 8 ARG N N 15 118.238 0.06 . 1 . . . . 8 ARG N . 16664 1 39 . 1 1 9 9 LYS H H 1 8.712 0.01 . 1 . . . . 9 LYS H . 16664 1 40 . 1 1 9 9 LYS HA H 1 3.86 0.045 . 1 . . . . 9 LYS HA . 16664 1 41 . 1 1 9 9 LYS C C 13 177.89 0.05 . 1 . . . . 9 LYS C . 16664 1 42 . 1 1 9 9 LYS CA C 13 59.80 0.10 . 1 . . . . 9 LYS CA . 16664 1 43 . 1 1 9 9 LYS N N 15 119.540 0.06 . 1 . . . . 9 LYS N . 16664 1 44 . 1 1 10 10 ALA H H 1 7.626 0.01 . 1 . . . . 10 ALA H . 16664 1 45 . 1 1 10 10 ALA HA H 1 3.92 0.045 . 1 . . . . 10 ALA HA . 16664 1 46 . 1 1 10 10 ALA C C 13 179.24 0.05 . 1 . . . . 10 ALA C . 16664 1 47 . 1 1 10 10 ALA CA C 13 55.08 0.10 . 1 . . . . 10 ALA CA . 16664 1 48 . 1 1 10 10 ALA N N 15 120.258 0.06 . 1 . . . . 10 ALA N . 16664 1 49 . 1 1 11 11 PHE H H 1 8.149 0.01 . 1 . . . . 11 PHE H . 16664 1 50 . 1 1 11 11 PHE HA H 1 4.18 0.045 . 1 . . . . 11 PHE HA . 16664 1 51 . 1 1 11 11 PHE C C 13 177.07 0.05 . 1 . . . . 11 PHE C . 16664 1 52 . 1 1 11 11 PHE CA C 13 62.95 0.10 . 1 . . . . 11 PHE CA . 16664 1 53 . 1 1 11 11 PHE N N 15 119.499 0.06 . 1 . . . . 11 PHE N . 16664 1 54 . 1 1 12 12 LEU H H 1 8.181 0.01 . 1 . . . . 12 LEU H . 16664 1 55 . 1 1 12 12 LEU HA H 1 3.85 0.045 . 1 . . . . 12 LEU HA . 16664 1 56 . 1 1 12 12 LEU C C 13 179.13 0.05 . 1 . . . . 12 LEU C . 16664 1 57 . 1 1 12 12 LEU CA C 13 58.39 0.10 . 1 . . . . 12 LEU CA . 16664 1 58 . 1 1 12 12 LEU N N 15 118.923 0.06 . 1 . . . . 12 LEU N . 16664 1 59 . 1 1 13 13 ASP H H 1 8.562 0.01 . 1 . . . . 13 ASP H . 16664 1 60 . 1 1 13 13 ASP HA H 1 4.30 0.045 . 1 . . . . 13 ASP HA . 16664 1 61 . 1 1 13 13 ASP C C 13 179.67 0.05 . 1 . . . . 13 ASP C . 16664 1 62 . 1 1 13 13 ASP CA C 13 57.81 0.10 . 1 . . . . 13 ASP CA . 16664 1 63 . 1 1 13 13 ASP N N 15 120.760 0.06 . 1 . . . . 13 ASP N . 16664 1 64 . 1 1 14 14 MET H H 1 8.344 0.01 . 1 . . . . 14 MET H . 16664 1 65 . 1 1 14 14 MET HA H 1 3.72 0.045 . 1 . . . . 14 MET HA . 16664 1 66 . 1 1 14 14 MET C C 13 177.51 0.05 . 1 . . . . 14 MET C . 16664 1 67 . 1 1 14 14 MET CA C 13 59.63 0.10 . 1 . . . . 14 MET CA . 16664 1 68 . 1 1 14 14 MET N N 15 123.466 0.06 . 1 . . . . 14 MET N . 16664 1 69 . 1 1 15 15 LEU H H 1 8.512 0.01 . 1 . . . . 15 LEU H . 16664 1 70 . 1 1 15 15 LEU HA H 1 3.63 0.045 . 1 . . . . 15 LEU HA . 16664 1 71 . 1 1 15 15 LEU C C 13 177.85 0.05 . 1 . . . . 15 LEU C . 16664 1 72 . 1 1 15 15 LEU CA C 13 57.58 0.10 . 1 . . . . 15 LEU CA . 16664 1 73 . 1 1 15 15 LEU N N 15 122.148 0.06 . 1 . . . . 15 LEU N . 16664 1 74 . 1 1 16 16 ALA H H 1 8.458 0.01 . 1 . . . . 16 ALA H . 16664 1 75 . 1 1 16 16 ALA HA H 1 3.92 0.045 . 1 . . . . 16 ALA HA . 16664 1 76 . 1 1 16 16 ALA C C 13 180.08 0.05 . 1 . . . . 16 ALA C . 16664 1 77 . 1 1 16 16 ALA CA C 13 54.23 0.10 . 1 . . . . 16 ALA CA . 16664 1 78 . 1 1 16 16 ALA N N 15 121.128 0.06 . 1 . . . . 16 ALA N . 16664 1 79 . 1 1 17 17 TRP H H 1 7.800 0.01 . 1 . . . . 17 TRP H . 16664 1 80 . 1 1 17 17 TRP HA H 1 3.85 0.045 . 1 . . . . 17 TRP HA . 16664 1 81 . 1 1 17 17 TRP C C 13 179.09 0.05 . 1 . . . . 17 TRP C . 16664 1 82 . 1 1 17 17 TRP CA C 13 62.15 0.10 . 1 . . . . 17 TRP CA . 16664 1 83 . 1 1 17 17 TRP N N 15 119.246 0.06 . 1 . . . . 17 TRP N . 16664 1 84 . 1 1 18 18 SER H H 1 8.651 0.01 . 1 . . . . 18 SER H . 16664 1 85 . 1 1 18 18 SER HA H 1 4.26 0.045 . 1 . . . . 18 SER HA . 16664 1 86 . 1 1 18 18 SER C C 13 178.05 0.05 . 1 . . . . 18 SER C . 16664 1 87 . 1 1 18 18 SER CA C 13 61.70 0.10 . 1 . . . . 18 SER CA . 16664 1 88 . 1 1 18 18 SER N N 15 116.680 0.06 . 1 . . . . 18 SER N . 16664 1 89 . 1 1 19 19 GLU H H 1 8.841 0.01 . 1 . . . . 19 GLU H . 16664 1 90 . 1 1 19 19 GLU HA H 1 3.90 0.045 . 1 . . . . 19 GLU HA . 16664 1 91 . 1 1 19 19 GLU C C 13 176.59 0.05 . 1 . . . . 19 GLU C . 16664 1 92 . 1 1 19 19 GLU CA C 13 56.72 0.10 . 1 . . . . 19 GLU CA . 16664 1 93 . 1 1 19 19 GLU N N 15 114.809 0.06 . 1 . . . . 19 GLU N . 16664 1 94 . 1 1 20 20 GLY H H 1 7.418 0.01 . 1 . . . . 20 GLY H . 16664 1 95 . 1 1 20 20 GLY HA2 H 1 3.87 0.045 . 2 . . . . 20 GLY HA2 . 16664 1 96 . 1 1 20 20 GLY HA3 H 1 3.32 0.045 . 2 . . . . 20 GLY HA3 . 16664 1 97 . 1 1 20 20 GLY C C 13 173.26 0.05 . 1 . . . . 20 GLY C . 16664 1 98 . 1 1 20 20 GLY CA C 13 45.55 0.10 . 1 . . . . 20 GLY CA . 16664 1 99 . 1 1 20 20 GLY N N 15 106.078 0.06 . 1 . . . . 20 GLY N . 16664 1 100 . 1 1 21 21 THR H H 1 7.925 0.01 . 1 . . . . 21 THR H . 16664 1 101 . 1 1 21 21 THR HA H 1 3.99 0.045 . 1 . . . . 21 THR HA . 16664 1 102 . 1 1 21 21 THR C C 13 174.90 0.05 . 1 . . . . 21 THR C . 16664 1 103 . 1 1 21 21 THR CA C 13 62.81 0.10 . 1 . . . . 21 THR CA . 16664 1 104 . 1 1 21 21 THR N N 15 109.060 0.06 . 1 . . . . 21 THR N . 16664 1 105 . 1 1 22 22 ASP H H 1 6.530 0.01 . 1 . . . . 22 ASP H . 16664 1 106 . 1 1 22 22 ASP HA H 1 4.76 0.045 . 1 . . . . 22 ASP HA . 16664 1 107 . 1 1 22 22 ASP C C 13 174.85 0.05 . 1 . . . . 22 ASP C . 16664 1 108 . 1 1 22 22 ASP CA C 13 51.06 0.10 . 1 . . . . 22 ASP CA . 16664 1 109 . 1 1 22 22 ASP N N 15 121.198 0.06 . 1 . . . . 22 ASP N . 16664 1 110 . 1 1 23 23 ASN H H 1 8.140 0.01 . 1 . . . . 23 ASN H . 16664 1 111 . 1 1 23 23 ASN HA H 1 5.07 0.045 . 1 . . . . 23 ASN HA . 16664 1 112 . 1 1 23 23 ASN C C 13 176.56 0.05 . 1 . . . . 23 ASN C . 16664 1 113 . 1 1 23 23 ASN CA C 13 51.51 0.10 . 1 . . . . 23 ASN CA . 16664 1 114 . 1 1 23 23 ASN N N 15 118.060 0.06 . 1 . . . . 23 ASN N . 16664 1 115 . 1 1 24 24 GLY H H 1 8.787 0.01 . 1 . . . . 24 GLY H . 16664 1 116 . 1 1 24 24 GLY HA2 H 1 4.10 0.045 . 2 . . . . 24 GLY HA2 . 16664 1 117 . 1 1 24 24 GLY HA3 H 1 3.72 0.045 . 2 . . . . 24 GLY HA3 . 16664 1 118 . 1 1 24 24 GLY C C 13 173.33 0.05 . 1 . . . . 24 GLY C . 16664 1 119 . 1 1 24 24 GLY CA C 13 45.92 0.10 . 1 . . . . 24 GLY CA . 16664 1 120 . 1 1 24 24 GLY N N 15 109.416 0.06 . 1 . . . . 24 GLY N . 16664 1 121 . 1 1 25 25 ARG H H 1 7.751 0.01 . 1 . . . . 25 ARG H . 16664 1 122 . 1 1 25 25 ARG HA H 1 4.34 0.045 . 1 . . . . 25 ARG HA . 16664 1 123 . 1 1 25 25 ARG C C 13 176.13 0.05 . 1 . . . . 25 ARG C . 16664 1 124 . 1 1 25 25 ARG CA C 13 57.05 0.10 . 1 . . . . 25 ARG CA . 16664 1 125 . 1 1 25 25 ARG N N 15 119.317 0.06 . 1 . . . . 25 ARG N . 16664 1 126 . 1 1 26 26 GLN H H 1 8.223 0.01 . 1 . . . . 26 GLN H . 16664 1 127 . 1 1 26 26 GLN HA H 1 4.08 0.045 . 1 . . . . 26 GLN HA . 16664 1 128 . 1 1 26 26 GLN C C 13 176.96 0.05 . 1 . . . . 26 GLN C . 16664 1 129 . 1 1 26 26 GLN CA C 13 55.07 0.10 . 1 . . . . 26 GLN CA . 16664 1 130 . 1 1 26 26 GLN N N 15 122.617 0.06 . 1 . . . . 26 GLN N . 16664 1 131 . 1 1 27 27 LYS H H 1 8.869 0.01 . 1 . . . . 27 LYS H . 16664 1 132 . 1 1 27 27 LYS HA H 1 4.13 0.045 . 1 . . . . 27 LYS HA . 16664 1 133 . 1 1 27 27 LYS C C 13 174.83 0.05 . 1 . . . . 27 LYS C . 16664 1 134 . 1 1 27 27 LYS CA C 13 57.20 0.10 . 1 . . . . 27 LYS CA . 16664 1 135 . 1 1 27 27 LYS N N 15 132.530 0.06 . 1 . . . . 27 LYS N . 16664 1 136 . 1 1 28 28 THR H H 1 7.971 0.01 . 1 . . . . 28 THR H . 16664 1 137 . 1 1 28 28 THR HA H 1 4.63 0.045 . 1 . . . . 28 THR HA . 16664 1 138 . 1 1 28 28 THR C C 13 172.81 0.05 . 1 . . . . 28 THR C . 16664 1 139 . 1 1 28 28 THR CA C 13 60.99 0.10 . 1 . . . . 28 THR CA . 16664 1 140 . 1 1 28 28 THR N N 15 114.009 0.06 . 1 . . . . 28 THR N . 16664 1 141 . 1 1 29 29 ARG H H 1 10.233 0.01 . 1 . . . . 29 ARG H . 16664 1 142 . 1 1 29 29 ARG HA H 1 4.55 0.045 . 1 . . . . 29 ARG HA . 16664 1 143 . 1 1 29 29 ARG C C 13 176.85 0.05 . 1 . . . . 29 ARG C . 16664 1 144 . 1 1 29 29 ARG CA C 13 55.51 0.10 . 1 . . . . 29 ARG CA . 16664 1 145 . 1 1 29 29 ARG N N 15 128.448 0.06 . 1 . . . . 29 ARG N . 16664 1 146 . 1 1 30 30 ASN H H 1 8.715 0.01 . 1 . . . . 30 ASN H . 16664 1 147 . 1 1 30 30 ASN HA H 1 4.75 0.045 . 1 . . . . 30 ASN HA . 16664 1 148 . 1 1 30 30 ASN C C 13 173.30 0.05 . 1 . . . . 30 ASN C . 16664 1 149 . 1 1 30 30 ASN CA C 13 52.65 0.10 . 1 . . . . 30 ASN CA . 16664 1 150 . 1 1 30 30 ASN N N 15 117.319 0.06 . 1 . . . . 30 ASN N . 16664 1 151 . 1 1 31 31 HIS H H 1 9.224 0.01 . 1 . . . . 31 HIS H . 16664 1 152 . 1 1 31 31 HIS HA H 1 3.77 0.045 . 1 . . . . 31 HIS HA . 16664 1 153 . 1 1 31 31 HIS C C 13 172.09 0.05 . 1 . . . . 31 HIS C . 16664 1 154 . 1 1 31 31 HIS CA C 13 57.20 0.10 . 1 . . . . 31 HIS CA . 16664 1 155 . 1 1 31 31 HIS N N 15 116.605 0.06 . 1 . . . . 31 HIS N . 16664 1 156 . 1 1 32 32 GLY H H 1 9.317 0.01 . 1 . . . . 32 GLY H . 16664 1 157 . 1 1 32 32 GLY HA2 H 1 3.79 0.045 . 2 . . . . 32 GLY HA2 . 16664 1 158 . 1 1 32 32 GLY HA3 H 1 3.52 0.045 . 2 . . . . 32 GLY HA3 . 16664 1 159 . 1 1 32 32 GLY C C 13 174.68 0.05 . 1 . . . . 32 GLY C . 16664 1 160 . 1 1 32 32 GLY CA C 13 45.95 0.10 . 1 . . . . 32 GLY CA . 16664 1 161 . 1 1 32 32 GLY N N 15 106.006 0.06 . 1 . . . . 32 GLY N . 16664 1 162 . 1 1 33 33 TYR H H 1 8.043 0.01 . 1 . . . . 33 TYR H . 16664 1 163 . 1 1 33 33 TYR HA H 1 4.13 0.045 . 1 . . . . 33 TYR HA . 16664 1 164 . 1 1 33 33 TYR C C 13 173.14 0.05 . 1 . . . . 33 TYR C . 16664 1 165 . 1 1 33 33 TYR CA C 13 62.01 0.10 . 1 . . . . 33 TYR CA . 16664 1 166 . 1 1 33 33 TYR N N 15 116.730 0.06 . 1 . . . . 33 TYR N . 16664 1 167 . 1 1 34 34 ASP H H 1 8.906 0.01 . 1 . . . . 34 ASP H . 16664 1 168 . 1 1 34 34 ASP HA H 1 3.22 0.045 . 1 . . . . 34 ASP HA . 16664 1 169 . 1 1 34 34 ASP C C 13 175.14 0.05 . 1 . . . . 34 ASP C . 16664 1 170 . 1 1 34 34 ASP CA C 13 52.27 0.10 . 1 . . . . 34 ASP CA . 16664 1 171 . 1 1 34 34 ASP N N 15 113.855 0.06 . 1 . . . . 34 ASP N . 16664 1 172 . 1 1 35 35 VAL H H 1 6.582 0.01 . 1 . . . . 35 VAL H . 16664 1 173 . 1 1 35 35 VAL HA H 1 4.03 0.045 . 1 . . . . 35 VAL HA . 16664 1 174 . 1 1 35 35 VAL C C 13 176.25 0.05 . 1 . . . . 35 VAL C . 16664 1 175 . 1 1 35 35 VAL CA C 13 63.83 0.10 . 1 . . . . 35 VAL CA . 16664 1 176 . 1 1 35 35 VAL N N 15 119.263 0.06 . 1 . . . . 35 VAL N . 16664 1 177 . 1 1 36 36 ILE H H 1 9.458 0.01 . 1 . . . . 36 ILE H . 16664 1 178 . 1 1 36 36 ILE HA H 1 4.21 0.045 . 1 . . . . 36 ILE HA . 16664 1 179 . 1 1 36 36 ILE C C 13 174.33 0.05 . 1 . . . . 36 ILE C . 16664 1 180 . 1 1 36 36 ILE CA C 13 61.59 0.10 . 1 . . . . 36 ILE CA . 16664 1 181 . 1 1 36 36 ILE N N 15 131.544 0.06 . 1 . . . . 36 ILE N . 16664 1 182 . 1 1 37 37 VAL H H 1 8.216 0.01 . 1 . . . . 37 VAL H . 16664 1 183 . 1 1 37 37 VAL HA H 1 3.97 0.045 . 1 . . . . 37 VAL HA . 16664 1 184 . 1 1 37 37 VAL C C 13 174.55 0.05 . 1 . . . . 37 VAL C . 16664 1 185 . 1 1 37 37 VAL CA C 13 64.17 0.10 . 1 . . . . 37 VAL CA . 16664 1 186 . 1 1 37 37 VAL N N 15 127.607 0.06 . 1 . . . . 37 VAL N . 16664 1 187 . 1 1 38 38 GLY H H 1 8.538 0.01 . 1 . . . . 38 GLY H . 16664 1 188 . 1 1 38 38 GLY HA2 H 1 4.45 0.045 . 2 . . . . 38 GLY HA2 . 16664 1 189 . 1 1 38 38 GLY HA3 H 1 3.49 0.045 . 2 . . . . 38 GLY HA3 . 16664 1 190 . 1 1 38 38 GLY C C 13 176.74 0.05 . 1 . . . . 38 GLY C . 16664 1 191 . 1 1 38 38 GLY CA C 13 44.85 0.10 . 1 . . . . 38 GLY CA . 16664 1 192 . 1 1 38 38 GLY N N 15 115.109 0.06 . 1 . . . . 38 GLY N . 16664 1 193 . 1 1 39 39 GLY H H 1 9.092 0.01 . 1 . . . . 39 GLY H . 16664 1 194 . 1 1 39 39 GLY HA2 H 1 4.49 0.045 . 2 . . . . 39 GLY HA2 . 16664 1 195 . 1 1 39 39 GLY HA3 H 1 3.80 0.045 . 2 . . . . 39 GLY HA3 . 16664 1 196 . 1 1 39 39 GLY C C 13 175.05 0.05 . 1 . . . . 39 GLY C . 16664 1 197 . 1 1 39 39 GLY CA C 13 45.94 0.10 . 1 . . . . 39 GLY CA . 16664 1 198 . 1 1 39 39 GLY N N 15 108.592 0.06 . 1 . . . . 39 GLY N . 16664 1 199 . 1 1 40 40 GLU H H 1 7.914 0.01 . 1 . . . . 40 GLU H . 16664 1 200 . 1 1 40 40 GLU HA H 1 4.27 0.045 . 1 . . . . 40 GLU HA . 16664 1 201 . 1 1 40 40 GLU C C 13 173.26 0.05 . 1 . . . . 40 GLU C . 16664 1 202 . 1 1 40 40 GLU CA C 13 56.71 0.10 . 1 . . . . 40 GLU CA . 16664 1 203 . 1 1 40 40 GLU N N 15 121.140 0.06 . 1 . . . . 40 GLU N . 16664 1 204 . 1 1 41 41 LEU H H 1 8.043 0.01 . 1 . . . . 41 LEU H . 16664 1 205 . 1 1 41 41 LEU HA H 1 5.66 0.045 . 1 . . . . 41 LEU HA . 16664 1 206 . 1 1 41 41 LEU C C 13 178.91 0.05 . 1 . . . . 41 LEU C . 16664 1 207 . 1 1 41 41 LEU CA C 13 53.19 0.10 . 1 . . . . 41 LEU CA . 16664 1 208 . 1 1 41 41 LEU N N 15 116.924 0.06 . 1 . . . . 41 LEU N . 16664 1 209 . 1 1 42 42 PHE H H 1 8.713 0.01 . 1 . . . . 42 PHE H . 16664 1 210 . 1 1 42 42 PHE HA H 1 5.18 0.045 . 1 . . . . 42 PHE HA . 16664 1 211 . 1 1 42 42 PHE C C 13 174.36 0.05 . 1 . . . . 42 PHE C . 16664 1 212 . 1 1 42 42 PHE CA C 13 55.24 0.10 . 1 . . . . 42 PHE CA . 16664 1 213 . 1 1 42 42 PHE N N 15 119.179 0.06 . 1 . . . . 42 PHE N . 16664 1 214 . 1 1 43 43 THR H H 1 8.459 0.01 . 1 . . . . 43 THR H . 16664 1 215 . 1 1 43 43 THR HA H 1 4.30 0.045 . 1 . . . . 43 THR HA . 16664 1 216 . 1 1 43 43 THR C C 13 173.30 0.05 . 1 . . . . 43 THR C . 16664 1 217 . 1 1 43 43 THR CA C 13 61.42 0.10 . 1 . . . . 43 THR CA . 16664 1 218 . 1 1 43 43 THR N N 15 106.394 0.06 . 1 . . . . 43 THR N . 16664 1 219 . 1 1 44 44 ASP H H 1 7.929 0.01 . 1 . . . . 44 ASP H . 16664 1 220 . 1 1 44 44 ASP HA H 1 4.89 0.045 . 1 . . . . 44 ASP HA . 16664 1 221 . 1 1 44 44 ASP C C 13 175.42 0.05 . 1 . . . . 44 ASP C . 16664 1 222 . 1 1 44 44 ASP CA C 13 52.98 0.10 . 1 . . . . 44 ASP CA . 16664 1 223 . 1 1 44 44 ASP N N 15 123.542 0.06 . 1 . . . . 44 ASP N . 16664 1 224 . 1 1 45 45 TYR H H 1 8.896 0.01 . 1 . . . . 45 TYR H . 16664 1 225 . 1 1 45 45 TYR HA H 1 4.57 0.045 . 1 . . . . 45 TYR HA . 16664 1 226 . 1 1 45 45 TYR C C 13 175.93 0.05 . 1 . . . . 45 TYR C . 16664 1 227 . 1 1 45 45 TYR CA C 13 58.94 0.10 . 1 . . . . 45 TYR CA . 16664 1 228 . 1 1 45 45 TYR N N 15 122.458 0.06 . 1 . . . . 45 TYR N . 16664 1 229 . 1 1 46 46 SER H H 1 8.948 0.01 . 1 . . . . 46 SER H . 16664 1 230 . 1 1 46 46 SER HA H 1 4.21 0.045 . 1 . . . . 46 SER HA . 16664 1 231 . 1 1 46 46 SER C C 13 173.69 0.05 . 1 . . . . 46 SER C . 16664 1 232 . 1 1 46 46 SER CA C 13 62.74 0.10 . 1 . . . . 46 SER CA . 16664 1 233 . 1 1 46 46 SER N N 15 116.604 0.06 . 1 . . . . 46 SER N . 16664 1 234 . 1 1 47 47 ASP H H 1 7.433 0.01 . 1 . . . . 47 ASP H . 16664 1 235 . 1 1 47 47 ASP HA H 1 4.72 0.045 . 1 . . . . 47 ASP HA . 16664 1 236 . 1 1 47 47 ASP C C 13 173.55 0.05 . 1 . . . . 47 ASP C . 16664 1 237 . 1 1 47 47 ASP CA C 13 51.94 0.10 . 1 . . . . 47 ASP CA . 16664 1 238 . 1 1 47 47 ASP N N 15 114.842 0.06 . 1 . . . . 47 ASP N . 16664 1 239 . 1 1 48 48 HIS H H 1 7.625 0.01 . 1 . . . . 48 HIS H . 16664 1 240 . 1 1 48 48 HIS N N 15 124.427 0.06 . 1 . . . . 48 HIS N . 16664 1 241 . 1 1 50 50 ARG H H 1 11.308 0.01 . 1 . . . . 50 ARG H . 16664 1 242 . 1 1 50 50 ARG C C 13 174.90 0.05 . 1 . . . . 50 ARG C . 16664 1 243 . 1 1 50 50 ARG CA C 13 56.96 0.10 . 1 . . . . 50 ARG CA . 16664 1 244 . 1 1 50 50 ARG N N 15 119.287 0.06 . 1 . . . . 50 ARG N . 16664 1 245 . 1 1 51 51 LYS H H 1 7.528 0.01 . 1 . . . . 51 LYS H . 16664 1 246 . 1 1 51 51 LYS HA H 1 4.34 0.045 . 1 . . . . 51 LYS HA . 16664 1 247 . 1 1 51 51 LYS C C 13 174.91 0.05 . 1 . . . . 51 LYS C . 16664 1 248 . 1 1 51 51 LYS CA C 13 55.11 0.10 . 1 . . . . 51 LYS CA . 16664 1 249 . 1 1 51 51 LYS N N 15 119.170 0.06 . 1 . . . . 51 LYS N . 16664 1 250 . 1 1 52 52 LEU H H 1 8.430 0.01 . 1 . . . . 52 LEU H . 16664 1 251 . 1 1 52 52 LEU HA H 1 4.37 0.045 . 1 . . . . 52 LEU HA . 16664 1 252 . 1 1 52 52 LEU CA C 13 54.58 0.10 . 1 . . . . 52 LEU CA . 16664 1 253 . 1 1 52 52 LEU N N 15 126.736 0.06 . 1 . . . . 52 LEU N . 16664 1 254 . 1 1 53 53 VAL H H 1 9.044 0.01 . 1 . . . . 53 VAL H . 16664 1 255 . 1 1 53 53 VAL HA H 1 4.08 0.045 . 1 . . . . 53 VAL HA . 16664 1 256 . 1 1 53 53 VAL C C 13 176.10 0.05 . 1 . . . . 53 VAL C . 16664 1 257 . 1 1 53 53 VAL CA C 13 62.55 0.10 . 1 . . . . 53 VAL CA . 16664 1 258 . 1 1 53 53 VAL N N 15 132.044 0.06 . 1 . . . . 53 VAL N . 16664 1 259 . 1 1 54 54 THR H H 1 8.891 0.01 . 1 . . . . 54 THR H . 16664 1 260 . 1 1 54 54 THR HA H 1 4.31 0.045 . 1 . . . . 54 THR HA . 16664 1 261 . 1 1 54 54 THR C C 13 174.31 0.05 . 1 . . . . 54 THR C . 16664 1 262 . 1 1 54 54 THR CA C 13 63.24 0.10 . 1 . . . . 54 THR CA . 16664 1 263 . 1 1 54 54 THR N N 15 123.934 0.06 . 1 . . . . 54 THR N . 16664 1 264 . 1 1 55 55 LEU H H 1 8.752 0.01 . 1 . . . . 55 LEU H . 16664 1 265 . 1 1 55 55 LEU HA H 1 4.31 0.045 . 1 . . . . 55 LEU HA . 16664 1 266 . 1 1 55 55 LEU C C 13 177.25 0.05 . 1 . . . . 55 LEU C . 16664 1 267 . 1 1 55 55 LEU CA C 13 56.69 0.10 . 1 . . . . 55 LEU CA . 16664 1 268 . 1 1 55 55 LEU N N 15 130.852 0.06 . 1 . . . . 55 LEU N . 16664 1 269 . 1 1 56 56 ASN H H 1 8.538 0.01 . 1 . . . . 56 ASN H . 16664 1 270 . 1 1 56 56 ASN HA H 1 4.76 0.045 . 1 . . . . 56 ASN HA . 16664 1 271 . 1 1 56 56 ASN CA C 13 52.66 0.10 . 1 . . . . 56 ASN CA . 16664 1 272 . 1 1 56 56 ASN N N 15 115.109 0.06 . 1 . . . . 56 ASN N . 16664 1 273 . 1 1 57 57 PRO C C 13 176.82 0.05 . 1 . . . . 57 PRO C . 16664 1 274 . 1 1 57 57 PRO CA C 13 66.16 0.10 . 1 . . . . 57 PRO CA . 16664 1 275 . 1 1 58 58 LYS H H 1 8.501 0.01 . 1 . . . . 58 LYS H . 16664 1 276 . 1 1 58 58 LYS HA H 1 4.51 0.045 . 1 . . . . 58 LYS HA . 16664 1 277 . 1 1 58 58 LYS C C 13 175.90 0.05 . 1 . . . . 58 LYS C . 16664 1 278 . 1 1 58 58 LYS CA C 13 55.29 0.10 . 1 . . . . 58 LYS CA . 16664 1 279 . 1 1 58 58 LYS N N 15 113.647 0.06 . 1 . . . . 58 LYS N . 16664 1 280 . 1 1 59 59 LEU H H 1 7.773 0.01 . 1 . . . . 59 LEU H . 16664 1 281 . 1 1 59 59 LEU HA H 1 4.75 0.045 . 1 . . . . 59 LEU HA . 16664 1 282 . 1 1 59 59 LEU C C 13 173.50 0.05 . 1 . . . . 59 LEU C . 16664 1 283 . 1 1 59 59 LEU CA C 13 55.71 0.10 . 1 . . . . 59 LEU CA . 16664 1 284 . 1 1 59 59 LEU N N 15 124.597 0.06 . 1 . . . . 59 LEU N . 16664 1 285 . 1 1 60 60 LYS H H 1 8.476 0.01 . 1 . . . . 60 LYS H . 16664 1 286 . 1 1 60 60 LYS HA H 1 5.34 0.045 . 1 . . . . 60 LYS HA . 16664 1 287 . 1 1 60 60 LYS C C 13 175.91 0.05 . 1 . . . . 60 LYS C . 16664 1 288 . 1 1 60 60 LYS CA C 13 54.54 0.10 . 1 . . . . 60 LYS CA . 16664 1 289 . 1 1 60 60 LYS N N 15 125.789 0.06 . 1 . . . . 60 LYS N . 16664 1 290 . 1 1 61 61 SER H H 1 8.929 0.01 . 1 . . . . 61 SER H . 16664 1 291 . 1 1 61 61 SER HA H 1 4.87 0.045 . 1 . . . . 61 SER HA . 16664 1 292 . 1 1 61 61 SER C C 13 173.18 0.05 . 1 . . . . 61 SER C . 16664 1 293 . 1 1 61 61 SER CA C 13 56.59 0.10 . 1 . . . . 61 SER CA . 16664 1 294 . 1 1 61 61 SER N N 15 113.855 0.06 . 1 . . . . 61 SER N . 16664 1 295 . 1 1 62 62 THR H H 1 7.000 0.01 . 1 . . . . 62 THR H . 16664 1 296 . 1 1 62 62 THR HA H 1 5.24 0.045 . 1 . . . . 62 THR HA . 16664 1 297 . 1 1 62 62 THR C C 13 175.32 0.05 . 1 . . . . 62 THR C . 16664 1 298 . 1 1 62 62 THR CA C 13 60.24 0.10 . 1 . . . . 62 THR CA . 16664 1 299 . 1 1 62 62 THR N N 15 112.838 0.06 . 1 . . . . 62 THR N . 16664 1 300 . 1 1 63 63 GLY H H 1 8.606 0.01 . 1 . . . . 63 GLY H . 16664 1 301 . 1 1 63 63 GLY HA2 H 1 3.52 0.045 . 2 . . . . 63 GLY HA2 . 16664 1 302 . 1 1 63 63 GLY HA3 H 1 3.17 0.045 . 2 . . . . 63 GLY HA3 . 16664 1 303 . 1 1 63 63 GLY C C 13 172.71 0.05 . 1 . . . . 63 GLY C . 16664 1 304 . 1 1 63 63 GLY CA C 13 46.93 0.10 . 1 . . . . 63 GLY CA . 16664 1 305 . 1 1 63 63 GLY N N 15 110.492 0.06 . 1 . . . . 63 GLY N . 16664 1 306 . 1 1 64 64 ALA H H 1 7.995 0.01 . 1 . . . . 64 ALA H . 16664 1 307 . 1 1 64 64 ALA HA H 1 5.13 0.045 . 1 . . . . 64 ALA HA . 16664 1 308 . 1 1 64 64 ALA C C 13 178.73 0.05 . 1 . . . . 64 ALA C . 16664 1 309 . 1 1 64 64 ALA CA C 13 51.91 0.10 . 1 . . . . 64 ALA CA . 16664 1 310 . 1 1 64 64 ALA N N 15 119.642 0.06 . 1 . . . . 64 ALA N . 16664 1 311 . 1 1 65 65 GLY H H 1 9.417 0.01 . 1 . . . . 65 GLY H . 16664 1 312 . 1 1 65 65 GLY HA2 H 1 4.51 0.045 . 2 . . . . 65 GLY HA2 . 16664 1 313 . 1 1 65 65 GLY HA3 H 1 3.90 0.045 . 2 . . . . 65 GLY HA3 . 16664 1 314 . 1 1 65 65 GLY C C 13 175.53 0.05 . 1 . . . . 65 GLY C . 16664 1 315 . 1 1 65 65 GLY CA C 13 44.13 0.10 . 1 . . . . 65 GLY CA . 16664 1 316 . 1 1 65 65 GLY N N 15 107.813 0.06 . 1 . . . . 65 GLY N . 16664 1 317 . 1 1 66 66 ARG H H 1 8.325 0.01 . 1 . . . . 66 ARG H . 16664 1 318 . 1 1 66 66 ARG C C 13 175.97 0.05 . 1 . . . . 66 ARG C . 16664 1 319 . 1 1 66 66 ARG CA C 13 58.91 0.10 . 1 . . . . 66 ARG CA . 16664 1 320 . 1 1 66 66 ARG N N 15 122.277 0.06 . 1 . . . . 66 ARG N . 16664 1 321 . 1 1 67 67 TYR H H 1 8.414 0.01 . 1 . . . . 67 TYR H . 16664 1 322 . 1 1 67 67 TYR HA H 1 4.64 0.045 . 1 . . . . 67 TYR HA . 16664 1 323 . 1 1 67 67 TYR C C 13 175.29 0.05 . 1 . . . . 67 TYR C . 16664 1 324 . 1 1 67 67 TYR CA C 13 53.46 0.10 . 1 . . . . 67 TYR CA . 16664 1 325 . 1 1 67 67 TYR N N 15 112.654 0.06 . 1 . . . . 67 TYR N . 16664 1 326 . 1 1 68 68 GLN H H 1 7.847 0.01 . 1 . . . . 68 GLN H . 16664 1 327 . 1 1 68 68 GLN HA H 1 3.44 0.045 . 1 . . . . 68 GLN HA . 16664 1 328 . 1 1 68 68 GLN C C 13 174.19 0.05 . 1 . . . . 68 GLN C . 16664 1 329 . 1 1 68 68 GLN CA C 13 55.86 0.10 . 1 . . . . 68 GLN CA . 16664 1 330 . 1 1 68 68 GLN N N 15 114.863 0.06 . 1 . . . . 68 GLN N . 16664 1 331 . 1 1 69 69 LEU H H 1 7.856 0.01 . 1 . . . . 69 LEU H . 16664 1 332 . 1 1 69 69 LEU HA H 1 4.80 0.045 . 1 . . . . 69 LEU HA . 16664 1 333 . 1 1 69 69 LEU C C 13 178.62 0.05 . 1 . . . . 69 LEU C . 16664 1 334 . 1 1 69 69 LEU CA C 13 54.83 0.10 . 1 . . . . 69 LEU CA . 16664 1 335 . 1 1 69 69 LEU N N 15 120.439 0.06 . 1 . . . . 69 LEU N . 16664 1 336 . 1 1 70 70 LEU H H 1 8.449 0.01 . 1 . . . . 70 LEU H . 16664 1 337 . 1 1 70 70 LEU HA H 1 4.30 0.045 . 1 . . . . 70 LEU HA . 16664 1 338 . 1 1 70 70 LEU C C 13 178.90 0.05 . 1 . . . . 70 LEU C . 16664 1 339 . 1 1 70 70 LEU CA C 13 54.88 0.10 . 1 . . . . 70 LEU CA . 16664 1 340 . 1 1 70 70 LEU N N 15 127.660 0.06 . 1 . . . . 70 LEU N . 16664 1 341 . 1 1 71 71 SER H H 1 8.959 0.01 . 1 . . . . 71 SER H . 16664 1 342 . 1 1 71 71 SER C C 13 176.29 0.05 . 1 . . . . 71 SER C . 16664 1 343 . 1 1 71 71 SER CA C 13 62.46 0.10 . 1 . . . . 71 SER CA . 16664 1 344 . 1 1 71 71 SER N N 15 120.677 0.06 . 1 . . . . 71 SER N . 16664 1 345 . 1 1 72 72 ARG H H 1 8.041 0.01 . 1 . . . . 72 ARG H . 16664 1 346 . 1 1 72 72 ARG HA H 1 4.15 0.045 . 1 . . . . 72 ARG HA . 16664 1 347 . 1 1 72 72 ARG C C 13 178.89 0.05 . 1 . . . . 72 ARG C . 16664 1 348 . 1 1 72 72 ARG CA C 13 58.98 0.10 . 1 . . . . 72 ARG CA . 16664 1 349 . 1 1 72 72 ARG N N 15 118.448 0.06 . 1 . . . . 72 ARG N . 16664 1 350 . 1 1 73 73 TRP H H 1 6.676 0.01 . 1 . . . . 73 TRP H . 16664 1 351 . 1 1 73 73 TRP HA H 1 5.05 0.045 . 1 . . . . 73 TRP HA . 16664 1 352 . 1 1 73 73 TRP C C 13 178.33 0.05 . 1 . . . . 73 TRP C . 16664 1 353 . 1 1 73 73 TRP CA C 13 57.84 0.10 . 1 . . . . 73 TRP CA . 16664 1 354 . 1 1 73 73 TRP N N 15 119.182 0.06 . 1 . . . . 73 TRP N . 16664 1 355 . 1 1 74 74 TRP H H 1 8.593 0.01 . 1 . . . . 74 TRP H . 16664 1 356 . 1 1 74 74 TRP HA H 1 5.03 0.045 . 1 . . . . 74 TRP HA . 16664 1 357 . 1 1 74 74 TRP C C 13 176.33 0.05 . 1 . . . . 74 TRP C . 16664 1 358 . 1 1 74 74 TRP CA C 13 60.06 0.10 . 1 . . . . 74 TRP CA . 16664 1 359 . 1 1 74 74 TRP N N 15 121.577 0.06 . 1 . . . . 74 TRP N . 16664 1 360 . 1 1 75 75 ASP H H 1 8.259 0.01 . 1 . . . . 75 ASP H . 16664 1 361 . 1 1 75 75 ASP HA H 1 3.99 0.045 . 1 . . . . 75 ASP HA . 16664 1 362 . 1 1 75 75 ASP C C 13 178.23 0.05 . 1 . . . . 75 ASP C . 16664 1 363 . 1 1 75 75 ASP CA C 13 57.92 0.10 . 1 . . . . 75 ASP CA . 16664 1 364 . 1 1 75 75 ASP N N 15 115.936 0.06 . 1 . . . . 75 ASP N . 16664 1 365 . 1 1 76 76 ALA H H 1 7.168 0.01 . 1 . . . . 76 ALA H . 16664 1 366 . 1 1 76 76 ALA HA H 1 4.14 0.045 . 1 . . . . 76 ALA HA . 16664 1 367 . 1 1 76 76 ALA C C 13 180.54 0.05 . 1 . . . . 76 ALA C . 16664 1 368 . 1 1 76 76 ALA CA C 13 54.86 0.10 . 1 . . . . 76 ALA CA . 16664 1 369 . 1 1 76 76 ALA N N 15 120.575 0.06 . 1 . . . . 76 ALA N . 16664 1 370 . 1 1 77 77 TYR H H 1 8.651 0.01 . 1 . . . . 77 TYR H . 16664 1 371 . 1 1 77 77 TYR HA H 1 4.81 0.045 . 1 . . . . 77 TYR HA . 16664 1 372 . 1 1 77 77 TYR C C 13 178.39 0.05 . 1 . . . . 77 TYR C . 16664 1 373 . 1 1 77 77 TYR CA C 13 63.34 0.10 . 1 . . . . 77 TYR CA . 16664 1 374 . 1 1 77 77 TYR N N 15 116.432 0.06 . 1 . . . . 77 TYR N . 16664 1 375 . 1 1 78 78 ARG H H 1 9.289 0.01 . 1 . . . . 78 ARG H . 16664 1 376 . 1 1 78 78 ARG HA H 1 3.62 0.045 . 1 . . . . 78 ARG HA . 16664 1 377 . 1 1 78 78 ARG C C 13 178.22 0.05 . 1 . . . . 78 ARG C . 16664 1 378 . 1 1 78 78 ARG CA C 13 59.81 0.10 . 1 . . . . 78 ARG CA . 16664 1 379 . 1 1 78 78 ARG N N 15 120.190 0.06 . 1 . . . . 78 ARG N . 16664 1 380 . 1 1 79 79 LYS H H 1 6.748 0.01 . 1 . . . . 79 LYS H . 16664 1 381 . 1 1 79 79 LYS HA H 1 4.15 0.045 . 1 . . . . 79 LYS HA . 16664 1 382 . 1 1 79 79 LYS C C 13 178.80 0.05 . 1 . . . . 79 LYS C . 16664 1 383 . 1 1 79 79 LYS CA C 13 58.46 0.10 . 1 . . . . 79 LYS CA . 16664 1 384 . 1 1 79 79 LYS N N 15 118.835 0.06 . 1 . . . . 79 LYS N . 16664 1 385 . 1 1 80 80 GLN H H 1 7.660 0.01 . 1 . . . . 80 GLN H . 16664 1 386 . 1 1 80 80 GLN HA H 1 4.01 0.045 . 1 . . . . 80 GLN HA . 16664 1 387 . 1 1 80 80 GLN C C 13 178.01 0.05 . 1 . . . . 80 GLN C . 16664 1 388 . 1 1 80 80 GLN CA C 13 59.16 0.10 . 1 . . . . 80 GLN CA . 16664 1 389 . 1 1 80 80 GLN N N 15 119.763 0.06 . 1 . . . . 80 GLN N . 16664 1 390 . 1 1 81 81 LEU H H 1 8.314 0.01 . 1 . . . . 81 LEU H . 16664 1 391 . 1 1 81 81 LEU HA H 1 4.44 0.045 . 1 . . . . 81 LEU HA . 16664 1 392 . 1 1 81 81 LEU C C 13 176.99 0.05 . 1 . . . . 81 LEU C . 16664 1 393 . 1 1 81 81 LEU CA C 13 54.62 0.10 . 1 . . . . 81 LEU CA . 16664 1 394 . 1 1 81 81 LEU N N 15 113.741 0.06 . 1 . . . . 81 LEU N . 16664 1 395 . 1 1 82 82 GLY H H 1 7.513 0.01 . 1 . . . . 82 GLY H . 16664 1 396 . 1 1 82 82 GLY HA2 H 1 3.90 0.045 . 2 . . . . 82 GLY HA2 . 16664 1 397 . 1 1 82 82 GLY HA3 H 1 3.90 0.045 . 2 . . . . 82 GLY HA3 . 16664 1 398 . 1 1 82 82 GLY C C 13 175.15 0.05 . 1 . . . . 82 GLY C . 16664 1 399 . 1 1 82 82 GLY CA C 13 47.11 0.10 . 1 . . . . 82 GLY CA . 16664 1 400 . 1 1 82 82 GLY N N 15 110.073 0.06 . 1 . . . . 82 GLY N . 16664 1 401 . 1 1 83 83 LEU H H 1 7.936 0.01 . 1 . . . . 83 LEU H . 16664 1 402 . 1 1 83 83 LEU HA H 1 4.56 0.045 . 1 . . . . 83 LEU HA . 16664 1 403 . 1 1 83 83 LEU C C 13 178.34 0.05 . 1 . . . . 83 LEU C . 16664 1 404 . 1 1 83 83 LEU CA C 13 54.42 0.10 . 1 . . . . 83 LEU CA . 16664 1 405 . 1 1 83 83 LEU N N 15 118.011 0.06 . 1 . . . . 83 LEU N . 16664 1 406 . 1 1 84 84 LYS H H 1 9.219 0.01 . 1 . . . . 84 LYS H . 16664 1 407 . 1 1 84 84 LYS HA H 1 4.44 0.045 . 1 . . . . 84 LYS HA . 16664 1 408 . 1 1 84 84 LYS C C 13 175.38 0.05 . 1 . . . . 84 LYS C . 16664 1 409 . 1 1 84 84 LYS CA C 13 56.68 0.10 . 1 . . . . 84 LYS CA . 16664 1 410 . 1 1 84 84 LYS N N 15 121.207 0.06 . 1 . . . . 84 LYS N . 16664 1 411 . 1 1 85 85 ASP H H 1 7.891 0.01 . 1 . . . . 85 ASP H . 16664 1 412 . 1 1 85 85 ASP HA H 1 5.05 0.045 . 1 . . . . 85 ASP HA . 16664 1 413 . 1 1 85 85 ASP C C 13 173.48 0.05 . 1 . . . . 85 ASP C . 16664 1 414 . 1 1 85 85 ASP CA C 13 52.71 0.10 . 1 . . . . 85 ASP CA . 16664 1 415 . 1 1 85 85 ASP N N 15 115.288 0.06 . 1 . . . . 85 ASP N . 16664 1 416 . 1 1 86 86 PHE H H 1 8.793 0.01 . 1 . . . . 86 PHE H . 16664 1 417 . 1 1 86 86 PHE HA H 1 4.89 0.045 . 1 . . . . 86 PHE HA . 16664 1 418 . 1 1 86 86 PHE C C 13 175.52 0.05 . 1 . . . . 86 PHE C . 16664 1 419 . 1 1 86 86 PHE CA C 13 55.86 0.10 . 1 . . . . 86 PHE CA . 16664 1 420 . 1 1 86 86 PHE N N 15 121.817 0.06 . 1 . . . . 86 PHE N . 16664 1 421 . 1 1 87 87 SER H H 1 8.085 0.01 . 1 . . . . 87 SER H . 16664 1 422 . 1 1 87 87 SER HA H 1 4.04 0.045 . 1 . . . . 87 SER HA . 16664 1 423 . 1 1 87 87 SER CA C 13 58.33 0.10 . 1 . . . . 87 SER CA . 16664 1 424 . 1 1 87 87 SER N N 15 114.053 0.06 . 1 . . . . 87 SER N . 16664 1 425 . 1 1 88 88 PRO C C 13 176.84 0.05 . 1 . . . . 88 PRO C . 16664 1 426 . 1 1 88 88 PRO CA C 13 67.67 0.10 . 1 . . . . 88 PRO CA . 16664 1 427 . 1 1 89 89 LYS H H 1 7.866 0.01 . 1 . . . . 89 LYS H . 16664 1 428 . 1 1 89 89 LYS HA H 1 3.98 0.045 . 1 . . . . 89 LYS HA . 16664 1 429 . 1 1 89 89 LYS C C 13 180.21 0.05 . 1 . . . . 89 LYS C . 16664 1 430 . 1 1 89 89 LYS CA C 13 59.73 0.10 . 1 . . . . 89 LYS CA . 16664 1 431 . 1 1 89 89 LYS N N 15 114.570 0.06 . 1 . . . . 89 LYS N . 16664 1 432 . 1 1 90 90 SER H H 1 7.685 0.01 . 1 . . . . 90 SER H . 16664 1 433 . 1 1 90 90 SER HA H 1 4.43 0.045 . 1 . . . . 90 SER HA . 16664 1 434 . 1 1 90 90 SER C C 13 175.27 0.05 . 1 . . . . 90 SER C . 16664 1 435 . 1 1 90 90 SER CA C 13 61.61 0.10 . 1 . . . . 90 SER CA . 16664 1 436 . 1 1 90 90 SER N N 15 118.311 0.06 . 1 . . . . 90 SER N . 16664 1 437 . 1 1 91 91 GLN H H 1 8.455 0.01 . 1 . . . . 91 GLN H . 16664 1 438 . 1 1 91 91 GLN HA H 1 3.96 0.045 . 1 . . . . 91 GLN HA . 16664 1 439 . 1 1 91 91 GLN C C 13 180.01 0.05 . 1 . . . . 91 GLN C . 16664 1 440 . 1 1 91 91 GLN CA C 13 60.85 0.10 . 1 . . . . 91 GLN CA . 16664 1 441 . 1 1 91 91 GLN N N 15 121.483 0.06 . 1 . . . . 91 GLN N . 16664 1 442 . 1 1 92 92 ASP H H 1 9.035 0.01 . 1 . . . . 92 ASP H . 16664 1 443 . 1 1 92 92 ASP HA H 1 4.39 0.045 . 1 . . . . 92 ASP HA . 16664 1 444 . 1 1 92 92 ASP C C 13 177.19 0.05 . 1 . . . . 92 ASP C . 16664 1 445 . 1 1 92 92 ASP CA C 13 57.88 0.10 . 1 . . . . 92 ASP CA . 16664 1 446 . 1 1 92 92 ASP N N 15 119.978 0.06 . 1 . . . . 92 ASP N . 16664 1 447 . 1 1 93 93 ALA H H 1 7.969 0.01 . 1 . . . . 93 ALA H . 16664 1 448 . 1 1 93 93 ALA HA H 1 4.15 0.045 . 1 . . . . 93 ALA HA . 16664 1 449 . 1 1 93 93 ALA C C 13 181.25 0.05 . 1 . . . . 93 ALA C . 16664 1 450 . 1 1 93 93 ALA CA C 13 55.58 0.10 . 1 . . . . 93 ALA CA . 16664 1 451 . 1 1 93 93 ALA N N 15 119.853 0.06 . 1 . . . . 93 ALA N . 16664 1 452 . 1 1 94 94 VAL H H 1 8.140 0.01 . 1 . . . . 94 VAL H . 16664 1 453 . 1 1 94 94 VAL HA H 1 3.31 0.045 . 1 . . . . 94 VAL HA . 16664 1 454 . 1 1 94 94 VAL C C 13 176.93 0.05 . 1 . . . . 94 VAL C . 16664 1 455 . 1 1 94 94 VAL CA C 13 67.70 0.10 . 1 . . . . 94 VAL CA . 16664 1 456 . 1 1 94 94 VAL N N 15 118.060 0.06 . 1 . . . . 94 VAL N . 16664 1 457 . 1 1 95 95 ALA H H 1 7.686 0.01 . 1 . . . . 95 ALA H . 16664 1 458 . 1 1 95 95 ALA HA H 1 4.62 0.045 . 1 . . . . 95 ALA HA . 16664 1 459 . 1 1 95 95 ALA C C 13 180.58 0.05 . 1 . . . . 95 ALA C . 16664 1 460 . 1 1 95 95 ALA CA C 13 55.71 0.10 . 1 . . . . 95 ALA CA . 16664 1 461 . 1 1 95 95 ALA N N 15 121.543 0.06 . 1 . . . . 95 ALA N . 16664 1 462 . 1 1 96 96 LEU H H 1 8.542 0.01 . 1 . . . . 96 LEU H . 16664 1 463 . 1 1 96 96 LEU HA H 1 3.94 0.045 . 1 . . . . 96 LEU HA . 16664 1 464 . 1 1 96 96 LEU C C 13 178.59 0.05 . 1 . . . . 96 LEU C . 16664 1 465 . 1 1 96 96 LEU CA C 13 57.99 0.10 . 1 . . . . 96 LEU CA . 16664 1 466 . 1 1 96 96 LEU N N 15 114.072 0.06 . 1 . . . . 96 LEU N . 16664 1 467 . 1 1 97 97 GLN H H 1 8.000 0.01 . 1 . . . . 97 GLN H . 16664 1 468 . 1 1 97 97 GLN HA H 1 3.88 0.045 . 1 . . . . 97 GLN HA . 16664 1 469 . 1 1 97 97 GLN C C 13 178.48 0.05 . 1 . . . . 97 GLN C . 16664 1 470 . 1 1 97 97 GLN CA C 13 58.37 0.10 . 1 . . . . 97 GLN CA . 16664 1 471 . 1 1 97 97 GLN N N 15 121.442 0.06 . 1 . . . . 97 GLN N . 16664 1 472 . 1 1 98 98 GLN H H 1 8.453 0.01 . 1 . . . . 98 GLN H . 16664 1 473 . 1 1 98 98 GLN HA H 1 3.76 0.045 . 1 . . . . 98 GLN HA . 16664 1 474 . 1 1 98 98 GLN C C 13 179.44 0.05 . 1 . . . . 98 GLN C . 16664 1 475 . 1 1 98 98 GLN CA C 13 60.37 0.10 . 1 . . . . 98 GLN CA . 16664 1 476 . 1 1 98 98 GLN N N 15 119.407 0.06 . 1 . . . . 98 GLN N . 16664 1 477 . 1 1 99 99 ILE H H 1 8.264 0.01 . 1 . . . . 99 ILE H . 16664 1 478 . 1 1 99 99 ILE HA H 1 3.46 0.045 . 1 . . . . 99 ILE HA . 16664 1 479 . 1 1 99 99 ILE C C 13 178.57 0.05 . 1 . . . . 99 ILE C . 16664 1 480 . 1 1 99 99 ILE CA C 13 66.18 0.10 . 1 . . . . 99 ILE CA . 16664 1 481 . 1 1 99 99 ILE N N 15 120.182 0.06 . 1 . . . . 99 ILE N . 16664 1 482 . 1 1 100 100 LYS H H 1 8.793 0.01 . 1 . . . . 100 LYS H . 16664 1 483 . 1 1 100 100 LYS C C 13 182.32 0.05 . 1 . . . . 100 LYS C . 16664 1 484 . 1 1 100 100 LYS CA C 13 59.20 0.10 . 1 . . . . 100 LYS CA . 16664 1 485 . 1 1 100 100 LYS N N 15 121.817 0.06 . 1 . . . . 100 LYS N . 16664 1 486 . 1 1 101 101 GLU H H 1 8.660 0.01 . 1 . . . . 101 GLU H . 16664 1 487 . 1 1 101 101 GLU HA H 1 4.06 0.045 . 1 . . . . 101 GLU HA . 16664 1 488 . 1 1 101 101 GLU C C 13 177.99 0.05 . 1 . . . . 101 GLU C . 16664 1 489 . 1 1 101 101 GLU CA C 13 58.89 0.10 . 1 . . . . 101 GLU CA . 16664 1 490 . 1 1 101 101 GLU N N 15 120.844 0.06 . 1 . . . . 101 GLU N . 16664 1 491 . 1 1 102 102 ARG H H 1 7.505 0.01 . 1 . . . . 102 ARG H . 16664 1 492 . 1 1 102 102 ARG HA H 1 4.44 0.045 . 1 . . . . 102 ARG HA . 16664 1 493 . 1 1 102 102 ARG C C 13 176.54 0.05 . 1 . . . . 102 ARG C . 16664 1 494 . 1 1 102 102 ARG CA C 13 53.99 0.10 . 1 . . . . 102 ARG CA . 16664 1 495 . 1 1 102 102 ARG N N 15 116.504 0.06 . 1 . . . . 102 ARG N . 16664 1 496 . 1 1 103 103 GLY H H 1 8.119 0.01 . 1 . . . . 103 GLY H . 16664 1 497 . 1 1 103 103 GLY HA2 H 1 4.10 0.045 . 2 . . . . 103 GLY HA2 . 16664 1 498 . 1 1 103 103 GLY HA3 H 1 3.96 0.045 . 2 . . . . 103 GLY HA3 . 16664 1 499 . 1 1 103 103 GLY C C 13 174.87 0.05 . 1 . . . . 103 GLY C . 16664 1 500 . 1 1 103 103 GLY CA C 13 45.94 0.10 . 1 . . . . 103 GLY CA . 16664 1 501 . 1 1 103 103 GLY N N 15 107.038 0.06 . 1 . . . . 103 GLY N . 16664 1 502 . 1 1 104 104 ALA H H 1 7.162 0.01 . 1 . . . . 104 ALA H . 16664 1 503 . 1 1 104 104 ALA HA H 1 4.74 0.045 . 1 . . . . 104 ALA HA . 16664 1 504 . 1 1 104 104 ALA C C 13 178.15 0.05 . 1 . . . . 104 ALA C . 16664 1 505 . 1 1 104 104 ALA CA C 13 51.56 0.10 . 1 . . . . 104 ALA CA . 16664 1 506 . 1 1 104 104 ALA N N 15 115.868 0.06 . 1 . . . . 104 ALA N . 16664 1 507 . 1 1 105 105 LEU H H 1 8.404 0.01 . 1 . . . . 105 LEU H . 16664 1 508 . 1 1 105 105 LEU HA H 1 3.84 0.045 . 1 . . . . 105 LEU HA . 16664 1 509 . 1 1 105 105 LEU CA C 13 59.97 0.10 . 1 . . . . 105 LEU CA . 16664 1 510 . 1 1 105 105 LEU N N 15 121.150 0.06 . 1 . . . . 105 LEU N . 16664 1 511 . 1 1 106 106 PRO C C 13 179.77 0.05 . 1 . . . . 106 PRO C . 16664 1 512 . 1 1 106 106 PRO CA C 13 65.87 0.10 . 1 . . . . 106 PRO CA . 16664 1 513 . 1 1 107 107 MET H H 1 6.431 0.01 . 1 . . . . 107 MET H . 16664 1 514 . 1 1 107 107 MET HA H 1 3.95 0.045 . 1 . . . . 107 MET HA . 16664 1 515 . 1 1 107 107 MET C C 13 177.64 0.05 . 1 . . . . 107 MET C . 16664 1 516 . 1 1 107 107 MET CA C 13 59.16 0.10 . 1 . . . . 107 MET CA . 16664 1 517 . 1 1 107 107 MET N N 15 113.083 0.06 . 1 . . . . 107 MET N . 16664 1 518 . 1 1 108 108 ILE H H 1 7.580 0.01 . 1 . . . . 108 ILE H . 16664 1 519 . 1 1 108 108 ILE HA H 1 3.10 0.045 . 1 . . . . 108 ILE HA . 16664 1 520 . 1 1 108 108 ILE C C 13 178.48 0.05 . 1 . . . . 108 ILE C . 16664 1 521 . 1 1 108 108 ILE CA C 13 65.17 0.10 . 1 . . . . 108 ILE CA . 16664 1 522 . 1 1 108 108 ILE N N 15 120.582 0.06 . 1 . . . . 108 ILE N . 16664 1 523 . 1 1 109 109 ASP H H 1 8.437 0.01 . 1 . . . . 109 ASP H . 16664 1 524 . 1 1 109 109 ASP HA H 1 4.23 0.045 . 1 . . . . 109 ASP HA . 16664 1 525 . 1 1 109 109 ASP C C 13 178.28 0.05 . 1 . . . . 109 ASP C . 16664 1 526 . 1 1 109 109 ASP CA C 13 57.90 0.10 . 1 . . . . 109 ASP CA . 16664 1 527 . 1 1 109 109 ASP N N 15 119.924 0.06 . 1 . . . . 109 ASP N . 16664 1 528 . 1 1 110 110 ARG H H 1 7.460 0.01 . 1 . . . . 110 ARG H . 16664 1 529 . 1 1 110 110 ARG HA H 1 4.46 0.045 . 1 . . . . 110 ARG HA . 16664 1 530 . 1 1 110 110 ARG C C 13 176.25 0.05 . 1 . . . . 110 ARG C . 16664 1 531 . 1 1 110 110 ARG CA C 13 56.01 0.10 . 1 . . . . 110 ARG CA . 16664 1 532 . 1 1 110 110 ARG N N 15 113.947 0.06 . 1 . . . . 110 ARG N . 16664 1 533 . 1 1 111 111 GLY H H 1 7.699 0.01 . 1 . . . . 111 GLY H . 16664 1 534 . 1 1 111 111 GLY HA2 H 1 3.56 0.045 . 2 . . . . 111 GLY HA2 . 16664 1 535 . 1 1 111 111 GLY HA3 H 1 4.53 0.045 . 2 . . . . 111 GLY HA3 . 16664 1 536 . 1 1 111 111 GLY C C 13 175.42 0.05 . 1 . . . . 111 GLY C . 16664 1 537 . 1 1 111 111 GLY CA C 13 45.84 0.10 . 1 . . . . 111 GLY CA . 16664 1 538 . 1 1 111 111 GLY N N 15 105.958 0.06 . 1 . . . . 111 GLY N . 16664 1 539 . 1 1 112 112 ASP H H 1 8.806 0.01 . 1 . . . . 112 ASP H . 16664 1 540 . 1 1 112 112 ASP HA H 1 5.22 0.045 . 1 . . . . 112 ASP HA . 16664 1 541 . 1 1 112 112 ASP C C 13 176.30 0.05 . 1 . . . . 112 ASP C . 16664 1 542 . 1 1 112 112 ASP CA C 13 53.03 0.10 . 1 . . . . 112 ASP CA . 16664 1 543 . 1 1 112 112 ASP N N 15 128.323 0.06 . 1 . . . . 112 ASP N . 16664 1 544 . 1 1 113 113 ILE H H 1 7.497 0.01 . 1 . . . . 113 ILE H . 16664 1 545 . 1 1 113 113 ILE HA H 1 3.47 0.045 . 1 . . . . 113 ILE HA . 16664 1 546 . 1 1 113 113 ILE C C 13 177.95 0.05 . 1 . . . . 113 ILE C . 16664 1 547 . 1 1 113 113 ILE CA C 13 61.23 0.10 . 1 . . . . 113 ILE CA . 16664 1 548 . 1 1 113 113 ILE N N 15 119.556 0.06 . 1 . . . . 113 ILE N . 16664 1 549 . 1 1 114 114 ARG H H 1 9.104 0.01 . 1 . . . . 114 ARG H . 16664 1 550 . 1 1 114 114 ARG HA H 1 3.83 0.045 . 1 . . . . 114 ARG HA . 16664 1 551 . 1 1 114 114 ARG C C 13 179.04 0.05 . 1 . . . . 114 ARG C . 16664 1 552 . 1 1 114 114 ARG CA C 13 61.18 0.10 . 1 . . . . 114 ARG CA . 16664 1 553 . 1 1 114 114 ARG N N 15 122.536 0.06 . 1 . . . . 114 ARG N . 16664 1 554 . 1 1 115 115 GLN H H 1 8.338 0.01 . 1 . . . . 115 GLN H . 16664 1 555 . 1 1 115 115 GLN HA H 1 4.07 0.045 . 1 . . . . 115 GLN HA . 16664 1 556 . 1 1 115 115 GLN C C 13 178.62 0.05 . 1 . . . . 115 GLN C . 16664 1 557 . 1 1 115 115 GLN CA C 13 59.51 0.10 . 1 . . . . 115 GLN CA . 16664 1 558 . 1 1 115 115 GLN N N 15 118.583 0.06 . 1 . . . . 115 GLN N . 16664 1 559 . 1 1 116 116 ALA H H 1 7.802 0.01 . 1 . . . . 116 ALA H . 16664 1 560 . 1 1 116 116 ALA HA H 1 4.06 0.045 . 1 . . . . 116 ALA HA . 16664 1 561 . 1 1 116 116 ALA C C 13 179.68 0.05 . 1 . . . . 116 ALA C . 16664 1 562 . 1 1 116 116 ALA CA C 13 55.58 0.10 . 1 . . . . 116 ALA CA . 16664 1 563 . 1 1 116 116 ALA N N 15 122.399 0.06 . 1 . . . . 116 ALA N . 16664 1 564 . 1 1 117 117 ILE H H 1 8.809 0.01 . 1 . . . . 117 ILE H . 16664 1 565 . 1 1 117 117 ILE HA H 1 3.57 0.045 . 1 . . . . 117 ILE HA . 16664 1 566 . 1 1 117 117 ILE C C 13 176.83 0.05 . 1 . . . . 117 ILE C . 16664 1 567 . 1 1 117 117 ILE CA C 13 67.07 0.10 . 1 . . . . 117 ILE CA . 16664 1 568 . 1 1 117 117 ILE N N 15 119.323 0.06 . 1 . . . . 117 ILE N . 16664 1 569 . 1 1 118 118 ASP H H 1 7.529 0.01 . 1 . . . . 118 ASP H . 16664 1 570 . 1 1 118 118 ASP HA H 1 4.57 0.045 . 1 . . . . 118 ASP HA . 16664 1 571 . 1 1 118 118 ASP C C 13 180.50 0.05 . 1 . . . . 118 ASP C . 16664 1 572 . 1 1 118 118 ASP CA C 13 58.05 0.10 . 1 . . . . 118 ASP CA . 16664 1 573 . 1 1 118 118 ASP N N 15 116.855 0.06 . 1 . . . . 118 ASP N . 16664 1 574 . 1 1 119 119 ARG H H 1 8.395 0.01 . 1 . . . . 119 ARG H . 16664 1 575 . 1 1 119 119 ARG HA H 1 4.24 0.045 . 1 . . . . 119 ARG HA . 16664 1 576 . 1 1 119 119 ARG C C 13 178.11 0.05 . 1 . . . . 119 ARG C . 16664 1 577 . 1 1 119 119 ARG CA C 13 57.62 0.10 . 1 . . . . 119 ARG CA . 16664 1 578 . 1 1 119 119 ARG N N 15 118.015 0.06 . 1 . . . . 119 ARG N . 16664 1 579 . 1 1 120 120 CYS H H 1 8.059 0.01 . 1 . . . . 120 CYS H . 16664 1 580 . 1 1 120 120 CYS HA H 1 4.53 0.045 . 1 . . . . 120 CYS HA . 16664 1 581 . 1 1 120 120 CYS C C 13 175.85 0.05 . 1 . . . . 120 CYS C . 16664 1 582 . 1 1 120 120 CYS CA C 13 62.12 0.10 . 1 . . . . 120 CYS CA . 16664 1 583 . 1 1 120 120 CYS N N 15 112.777 0.06 . 1 . . . . 120 CYS N . 16664 1 584 . 1 1 121 121 SER H H 1 8.119 0.01 . 1 . . . . 121 SER H . 16664 1 585 . 1 1 121 121 SER HA H 1 4.52 0.045 . 1 . . . . 121 SER HA . 16664 1 586 . 1 1 121 121 SER C C 13 173.62 0.05 . 1 . . . . 121 SER C . 16664 1 587 . 1 1 121 121 SER CA C 13 61.73 0.10 . 1 . . . . 121 SER CA . 16664 1 588 . 1 1 121 121 SER N N 15 120.285 0.06 . 1 . . . . 121 SER N . 16664 1 589 . 1 1 122 122 ASN H H 1 7.645 0.01 . 1 . . . . 122 ASN H . 16664 1 590 . 1 1 122 122 ASN HA H 1 4.61 0.045 . 1 . . . . 122 ASN HA . 16664 1 591 . 1 1 122 122 ASN C C 13 175.03 0.05 . 1 . . . . 122 ASN C . 16664 1 592 . 1 1 122 122 ASN CA C 13 54.73 0.10 . 1 . . . . 122 ASN CA . 16664 1 593 . 1 1 122 122 ASN N N 15 116.367 0.06 . 1 . . . . 122 ASN N . 16664 1 594 . 1 1 123 123 ILE H H 1 7.632 0.01 . 1 . . . . 123 ILE H . 16664 1 595 . 1 1 123 123 ILE HA H 1 3.63 0.045 . 1 . . . . 123 ILE HA . 16664 1 596 . 1 1 123 123 ILE C C 13 175.64 0.05 . 1 . . . . 123 ILE C . 16664 1 597 . 1 1 123 123 ILE CA C 13 62.57 0.10 . 1 . . . . 123 ILE CA . 16664 1 598 . 1 1 123 123 ILE N N 15 119.640 0.06 . 1 . . . . 123 ILE N . 16664 1 599 . 1 1 124 124 TRP H H 1 7.090 0.01 . 1 . . . . 124 TRP H . 16664 1 600 . 1 1 124 124 TRP HA H 1 4.71 0.045 . 1 . . . . 124 TRP HA . 16664 1 601 . 1 1 124 124 TRP C C 13 175.20 0.05 . 1 . . . . 124 TRP C . 16664 1 602 . 1 1 124 124 TRP CA C 13 60.96 0.10 . 1 . . . . 124 TRP CA . 16664 1 603 . 1 1 124 124 TRP N N 15 119.244 0.06 . 1 . . . . 124 TRP N . 16664 1 604 . 1 1 125 125 ALA H H 1 8.719 0.01 . 1 . . . . 125 ALA H . 16664 1 605 . 1 1 125 125 ALA HA H 1 4.35 0.045 . 1 . . . . 125 ALA HA . 16664 1 606 . 1 1 125 125 ALA C C 13 177.61 0.05 . 1 . . . . 125 ALA C . 16664 1 607 . 1 1 125 125 ALA CA C 13 53.73 0.10 . 1 . . . . 125 ALA CA . 16664 1 608 . 1 1 125 125 ALA N N 15 125.573 0.06 . 1 . . . . 125 ALA N . 16664 1 609 . 1 1 126 126 SER H H 1 8.028 0.01 . 1 . . . . 126 SER H . 16664 1 610 . 1 1 126 126 SER HA H 1 4.28 0.045 . 1 . . . . 126 SER HA . 16664 1 611 . 1 1 126 126 SER C C 13 174.94 0.05 . 1 . . . . 126 SER C . 16664 1 612 . 1 1 126 126 SER CA C 13 59.82 0.10 . 1 . . . . 126 SER CA . 16664 1 613 . 1 1 126 126 SER N N 15 110.712 0.06 . 1 . . . . 126 SER N . 16664 1 614 . 1 1 127 127 LEU H H 1 7.726 0.01 . 1 . . . . 127 LEU H . 16664 1 615 . 1 1 127 127 LEU HA H 1 4.49 0.045 . 1 . . . . 127 LEU HA . 16664 1 616 . 1 1 127 127 LEU CA C 13 52.07 0.10 . 1 . . . . 127 LEU CA . 16664 1 617 . 1 1 127 127 LEU N N 15 123.617 0.06 . 1 . . . . 127 LEU N . 16664 1 618 . 1 1 128 128 PRO HA H 1 4.43 0.045 . 1 . . . . 128 PRO HA . 16664 1 619 . 1 1 129 129 GLY H H 1 7.805 0.01 . 1 . . . . 129 GLY H . 16664 1 620 . 1 1 129 129 GLY HA2 H 1 4.29 0.045 . 2 . . . . 129 GLY HA2 . 16664 1 621 . 1 1 129 129 GLY HA3 H 1 3.81 0.045 . 2 . . . . 129 GLY HA3 . 16664 1 622 . 1 1 129 129 GLY C C 13 174.97 0.05 . 1 . . . . 129 GLY C . 16664 1 623 . 1 1 129 129 GLY CA C 13 44.30 0.10 . 1 . . . . 129 GLY CA . 16664 1 624 . 1 1 129 129 GLY N N 15 107.064 0.06 . 1 . . . . 129 GLY N . 16664 1 625 . 1 1 130 130 ALA H H 1 8.555 0.01 . 1 . . . . 130 ALA H . 16664 1 626 . 1 1 130 130 ALA HA H 1 3.73 0.045 . 1 . . . . 130 ALA HA . 16664 1 627 . 1 1 130 130 ALA C C 13 179.02 0.05 . 1 . . . . 130 ALA C . 16664 1 628 . 1 1 130 130 ALA CA C 13 53.79 0.10 . 1 . . . . 130 ALA CA . 16664 1 629 . 1 1 130 130 ALA N N 15 124.356 0.06 . 1 . . . . 130 ALA N . 16664 1 630 . 1 1 131 131 GLY H H 1 8.538 0.01 . 1 . . . . 131 GLY H . 16664 1 631 . 1 1 131 131 GLY HA2 H 1 3.80 0.045 . 2 . . . . 131 GLY HA2 . 16664 1 632 . 1 1 131 131 GLY HA3 H 1 3.80 0.045 . 2 . . . . 131 GLY HA3 . 16664 1 633 . 1 1 131 131 GLY C C 13 174.51 0.05 . 1 . . . . 131 GLY C . 16664 1 634 . 1 1 131 131 GLY CA C 13 45.39 0.10 . 1 . . . . 131 GLY CA . 16664 1 635 . 1 1 131 131 GLY N N 15 105.852 0.06 . 1 . . . . 131 GLY N . 16664 1 636 . 1 1 132 132 TYR H H 1 8.035 0.01 . 1 . . . . 132 TYR H . 16664 1 637 . 1 1 132 132 TYR HA H 1 4.66 0.045 . 1 . . . . 132 TYR HA . 16664 1 638 . 1 1 132 132 TYR C C 13 176.97 0.05 . 1 . . . . 132 TYR C . 16664 1 639 . 1 1 132 132 TYR CA C 13 57.69 0.10 . 1 . . . . 132 TYR CA . 16664 1 640 . 1 1 132 132 TYR N N 15 119.720 0.06 . 1 . . . . 132 TYR N . 16664 1 641 . 1 1 133 133 GLY H H 1 8.702 0.01 . 1 . . . . 133 GLY H . 16664 1 642 . 1 1 133 133 GLY HA2 H 1 3.96 0.045 . 2 . . . . 133 GLY HA2 . 16664 1 643 . 1 1 133 133 GLY HA3 H 1 3.81 0.045 . 2 . . . . 133 GLY HA3 . 16664 1 644 . 1 1 133 133 GLY C C 13 174.88 0.05 . 1 . . . . 133 GLY C . 16664 1 645 . 1 1 133 133 GLY CA C 13 46.19 0.10 . 1 . . . . 133 GLY CA . 16664 1 646 . 1 1 133 133 GLY N N 15 110.999 0.06 . 1 . . . . 133 GLY N . 16664 1 647 . 1 1 134 134 GLN H H 1 8.085 0.01 . 1 . . . . 134 GLN H . 16664 1 648 . 1 1 134 134 GLN HA H 1 4.35 0.045 . 1 . . . . 134 GLN HA . 16664 1 649 . 1 1 134 134 GLN C C 13 175.71 0.05 . 1 . . . . 134 GLN C . 16664 1 650 . 1 1 134 134 GLN CA C 13 55.81 0.10 . 1 . . . . 134 GLN CA . 16664 1 651 . 1 1 134 134 GLN N N 15 118.634 0.06 . 1 . . . . 134 GLN N . 16664 1 652 . 1 1 135 135 PHE H H 1 8.080 0.01 . 1 . . . . 135 PHE H . 16664 1 653 . 1 1 135 135 PHE HA H 1 4.31 0.045 . 1 . . . . 135 PHE HA . 16664 1 654 . 1 1 135 135 PHE CA C 13 60.09 0.10 . 1 . . . . 135 PHE CA . 16664 1 655 . 1 1 135 135 PHE N N 15 119.955 0.06 . 1 . . . . 135 PHE N . 16664 1 656 . 1 1 136 136 GLU HA H 1 3.98 0.045 . 1 . . . . 136 GLU HA . 16664 1 657 . 1 1 136 136 GLU C C 13 177.35 0.05 . 1 . . . . 136 GLU C . 16664 1 658 . 1 1 137 137 HIS H H 1 8.306 0.01 . 1 . . . . 137 HIS H . 16664 1 659 . 1 1 137 137 HIS HA H 1 4.53 0.045 . 1 . . . . 137 HIS HA . 16664 1 660 . 1 1 137 137 HIS C C 13 176.55 0.05 . 1 . . . . 137 HIS C . 16664 1 661 . 1 1 137 137 HIS CA C 13 57.17 0.10 . 1 . . . . 137 HIS CA . 16664 1 662 . 1 1 137 137 HIS N N 15 116.836 0.06 . 1 . . . . 137 HIS N . 16664 1 663 . 1 1 138 138 LYS H H 1 8.335 0.01 . 1 . . . . 138 LYS H . 16664 1 664 . 1 1 138 138 LYS HA H 1 4.23 0.045 . 1 . . . . 138 LYS HA . 16664 1 665 . 1 1 138 138 LYS C C 13 179.10 0.05 . 1 . . . . 138 LYS C . 16664 1 666 . 1 1 138 138 LYS CA C 13 58.44 0.10 . 1 . . . . 138 LYS CA . 16664 1 667 . 1 1 138 138 LYS N N 15 119.669 0.06 . 1 . . . . 138 LYS N . 16664 1 668 . 1 1 139 139 ALA H H 1 9.086 0.01 . 1 . . . . 139 ALA H . 16664 1 669 . 1 1 139 139 ALA HA H 1 4.02 0.045 . 1 . . . . 139 ALA HA . 16664 1 670 . 1 1 139 139 ALA C C 13 178.72 0.05 . 1 . . . . 139 ALA C . 16664 1 671 . 1 1 139 139 ALA CA C 13 55.38 0.10 . 1 . . . . 139 ALA CA . 16664 1 672 . 1 1 139 139 ALA N N 15 122.300 0.06 . 1 . . . . 139 ALA N . 16664 1 673 . 1 1 140 140 ASP H H 1 8.337 0.01 . 1 . . . . 140 ASP H . 16664 1 674 . 1 1 140 140 ASP HA H 1 4.26 0.045 . 1 . . . . 140 ASP HA . 16664 1 675 . 1 1 140 140 ASP C C 13 179.56 0.05 . 1 . . . . 140 ASP C . 16664 1 676 . 1 1 140 140 ASP CA C 13 58.16 0.10 . 1 . . . . 140 ASP CA . 16664 1 677 . 1 1 140 140 ASP N N 15 117.150 0.06 . 1 . . . . 140 ASP N . 16664 1 678 . 1 1 141 141 SER H H 1 7.802 0.01 . 1 . . . . 141 SER H . 16664 1 679 . 1 1 141 141 SER HA H 1 4.26 0.045 . 1 . . . . 141 SER HA . 16664 1 680 . 1 1 141 141 SER C C 13 176.48 0.05 . 1 . . . . 141 SER C . 16664 1 681 . 1 1 141 141 SER CA C 13 61.74 0.10 . 1 . . . . 141 SER CA . 16664 1 682 . 1 1 141 141 SER N N 15 116.592 0.06 . 1 . . . . 141 SER N . 16664 1 683 . 1 1 142 142 LEU H H 1 7.580 0.01 . 1 . . . . 142 LEU H . 16664 1 684 . 1 1 142 142 LEU HA H 1 3.86 0.045 . 1 . . . . 142 LEU HA . 16664 1 685 . 1 1 142 142 LEU C C 13 178.46 0.05 . 1 . . . . 142 LEU C . 16664 1 686 . 1 1 142 142 LEU CA C 13 58.18 0.10 . 1 . . . . 142 LEU CA . 16664 1 687 . 1 1 142 142 LEU N N 15 124.272 0.06 . 1 . . . . 142 LEU N . 16664 1 688 . 1 1 143 143 ILE H H 1 8.549 0.01 . 1 . . . . 143 ILE H . 16664 1 689 . 1 1 143 143 ILE HA H 1 4.25 0.045 . 1 . . . . 143 ILE HA . 16664 1 690 . 1 1 143 143 ILE C C 13 177.73 0.05 . 1 . . . . 143 ILE C . 16664 1 691 . 1 1 143 143 ILE CA C 13 64.58 0.10 . 1 . . . . 143 ILE CA . 16664 1 692 . 1 1 143 143 ILE N N 15 120.641 0.06 . 1 . . . . 143 ILE N . 16664 1 693 . 1 1 144 144 ALA H H 1 7.701 0.01 . 1 . . . . 144 ALA H . 16664 1 694 . 1 1 144 144 ALA HA H 1 4.03 0.045 . 1 . . . . 144 ALA HA . 16664 1 695 . 1 1 144 144 ALA C C 13 180.70 0.05 . 1 . . . . 144 ALA C . 16664 1 696 . 1 1 144 144 ALA CA C 13 55.59 0.10 . 1 . . . . 144 ALA CA . 16664 1 697 . 1 1 144 144 ALA N N 15 121.104 0.06 . 1 . . . . 144 ALA N . 16664 1 698 . 1 1 145 145 LYS H H 1 7.280 0.01 . 1 . . . . 145 LYS H . 16664 1 699 . 1 1 145 145 LYS HA H 1 3.82 0.045 . 1 . . . . 145 LYS HA . 16664 1 700 . 1 1 145 145 LYS C C 13 177.88 0.05 . 1 . . . . 145 LYS C . 16664 1 701 . 1 1 145 145 LYS CA C 13 56.90 0.10 . 1 . . . . 145 LYS CA . 16664 1 702 . 1 1 145 145 LYS N N 15 118.809 0.06 . 1 . . . . 145 LYS N . 16664 1 703 . 1 1 146 146 PHE H H 1 8.402 0.01 . 1 . . . . 146 PHE H . 16664 1 704 . 1 1 146 146 PHE HA H 1 3.84 0.045 . 1 . . . . 146 PHE HA . 16664 1 705 . 1 1 146 146 PHE C C 13 177.42 0.05 . 1 . . . . 146 PHE C . 16664 1 706 . 1 1 146 146 PHE CA C 13 62.10 0.10 . 1 . . . . 146 PHE CA . 16664 1 707 . 1 1 146 146 PHE N N 15 121.655 0.06 . 1 . . . . 146 PHE N . 16664 1 708 . 1 1 147 147 LYS H H 1 8.288 0.01 . 1 . . . . 147 LYS H . 16664 1 709 . 1 1 147 147 LYS HA H 1 4.34 0.045 . 1 . . . . 147 LYS HA . 16664 1 710 . 1 1 147 147 LYS C C 13 181.66 0.05 . 1 . . . . 147 LYS C . 16664 1 711 . 1 1 147 147 LYS CA C 13 59.19 0.10 . 1 . . . . 147 LYS CA . 16664 1 712 . 1 1 147 147 LYS N N 15 118.375 0.06 . 1 . . . . 147 LYS N . 16664 1 713 . 1 1 148 148 GLU H H 1 8.248 0.01 . 1 . . . . 148 GLU H . 16664 1 714 . 1 1 148 148 GLU HA H 1 3.85 0.045 . 1 . . . . 148 GLU HA . 16664 1 715 . 1 1 148 148 GLU C C 13 177.83 0.05 . 1 . . . . 148 GLU C . 16664 1 716 . 1 1 148 148 GLU CA C 13 59.30 0.10 . 1 . . . . 148 GLU CA . 16664 1 717 . 1 1 148 148 GLU N N 15 123.603 0.06 . 1 . . . . 148 GLU N . 16664 1 718 . 1 1 149 149 ALA H H 1 7.620 0.01 . 1 . . . . 149 ALA H . 16664 1 719 . 1 1 149 149 ALA HA H 1 4.28 0.045 . 1 . . . . 149 ALA HA . 16664 1 720 . 1 1 149 149 ALA C C 13 176.76 0.05 . 1 . . . . 149 ALA C . 16664 1 721 . 1 1 149 149 ALA CA C 13 52.05 0.10 . 1 . . . . 149 ALA CA . 16664 1 722 . 1 1 149 149 ALA N N 15 119.192 0.06 . 1 . . . . 149 ALA N . 16664 1 723 . 1 1 150 150 GLY H H 1 7.699 0.01 . 1 . . . . 150 GLY H . 16664 1 724 . 1 1 150 150 GLY HA2 H 1 3.56 0.045 . 2 . . . . 150 GLY HA2 . 16664 1 725 . 1 1 150 150 GLY HA3 H 1 4.27 0.045 . 2 . . . . 150 GLY HA3 . 16664 1 726 . 1 1 150 150 GLY C C 13 174.83 0.05 . 1 . . . . 150 GLY C . 16664 1 727 . 1 1 150 150 GLY CA C 13 44.65 0.10 . 1 . . . . 150 GLY CA . 16664 1 728 . 1 1 150 150 GLY N N 15 105.958 0.06 . 1 . . . . 150 GLY N . 16664 1 729 . 1 1 151 151 GLY H H 1 7.793 0.01 . 1 . . . . 151 GLY H . 16664 1 730 . 1 1 151 151 GLY HA2 H 1 3.54 0.045 . 2 . . . . 151 GLY HA2 . 16664 1 731 . 1 1 151 151 GLY HA3 H 1 2.03 0.045 . 2 . . . . 151 GLY HA3 . 16664 1 732 . 1 1 151 151 GLY C C 13 172.49 0.05 . 1 . . . . 151 GLY C . 16664 1 733 . 1 1 151 151 GLY CA C 13 44.51 0.10 . 1 . . . . 151 GLY CA . 16664 1 734 . 1 1 151 151 GLY N N 15 110.123 0.06 . 1 . . . . 151 GLY N . 16664 1 735 . 1 1 152 152 THR H H 1 9.817 0.01 . 1 . . . . 152 THR H . 16664 1 736 . 1 1 152 152 THR HA H 1 4.64 0.045 . 1 . . . . 152 THR HA . 16664 1 737 . 1 1 152 152 THR C C 13 173.72 0.05 . 1 . . . . 152 THR C . 16664 1 738 . 1 1 152 152 THR CA C 13 61.77 0.10 . 1 . . . . 152 THR CA . 16664 1 739 . 1 1 152 152 THR N N 15 118.193 0.06 . 1 . . . . 152 THR N . 16664 1 740 . 1 1 153 153 VAL H H 1 8.847 0.01 . 1 . . . . 153 VAL H . 16664 1 741 . 1 1 153 153 VAL HA H 1 4.65 0.045 . 1 . . . . 153 VAL HA . 16664 1 742 . 1 1 153 153 VAL C C 13 175.54 0.05 . 1 . . . . 153 VAL C . 16664 1 743 . 1 1 153 153 VAL CA C 13 60.72 0.10 . 1 . . . . 153 VAL CA . 16664 1 744 . 1 1 153 153 VAL N N 15 123.939 0.06 . 1 . . . . 153 VAL N . 16664 1 745 . 1 1 154 154 ARG H H 1 8.896 0.01 . 1 . . . . 154 ARG H . 16664 1 746 . 1 1 154 154 ARG HA H 1 4.40 0.045 . 1 . . . . 154 ARG HA . 16664 1 747 . 1 1 154 154 ARG C C 13 175.79 0.05 . 1 . . . . 154 ARG C . 16664 1 748 . 1 1 154 154 ARG CA C 13 56.35 0.10 . 1 . . . . 154 ARG CA . 16664 1 749 . 1 1 154 154 ARG N N 15 128.040 0.06 . 1 . . . . 154 ARG N . 16664 1 750 . 1 1 155 155 GLU H H 1 8.610 0.01 . 1 . . . . 155 GLU H . 16664 1 751 . 1 1 155 155 GLU HA H 1 4.41 0.045 . 1 . . . . 155 GLU HA . 16664 1 752 . 1 1 155 155 GLU C C 13 175.93 0.05 . 1 . . . . 155 GLU C . 16664 1 753 . 1 1 155 155 GLU CA C 13 56.16 0.10 . 1 . . . . 155 GLU CA . 16664 1 754 . 1 1 155 155 GLU N N 15 125.858 0.06 . 1 . . . . 155 GLU N . 16664 1 755 . 1 1 156 156 ILE H H 1 8.180 0.01 . 1 . . . . 156 ILE H . 16664 1 756 . 1 1 156 156 ILE HA H 1 4.21 0.045 . 1 . . . . 156 ILE HA . 16664 1 757 . 1 1 156 156 ILE C C 13 175.64 0.05 . 1 . . . . 156 ILE C . 16664 1 758 . 1 1 156 156 ILE CA C 13 61.16 0.10 . 1 . . . . 156 ILE CA . 16664 1 759 . 1 1 156 156 ILE N N 15 120.713 0.06 . 1 . . . . 156 ILE N . 16664 1 760 . 1 1 157 157 ASP H H 1 8.447 0.01 . 1 . . . . 157 ASP H . 16664 1 761 . 1 1 157 157 ASP HA H 1 4.64 0.045 . 1 . . . . 157 ASP HA . 16664 1 762 . 1 1 157 157 ASP C C 13 175.01 0.05 . 1 . . . . 157 ASP C . 16664 1 763 . 1 1 157 157 ASP CA C 13 54.51 0.10 . 1 . . . . 157 ASP CA . 16664 1 764 . 1 1 157 157 ASP N N 15 124.731 0.06 . 1 . . . . 157 ASP N . 16664 1 765 . 1 1 158 158 VAL H H 1 7.633 0.01 . 1 . . . . 158 VAL H . 16664 1 766 . 1 1 158 158 VAL HA H 1 4.02 0.045 . 1 . . . . 158 VAL HA . 16664 1 767 . 1 1 158 158 VAL CA C 13 63.66 0.10 . 1 . . . . 158 VAL CA . 16664 1 768 . 1 1 158 158 VAL N N 15 123.644 0.06 . 1 . . . . 158 VAL N . 16664 1 stop_ save_