data_17357 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17357 _Entry.Title ; PsbQ protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-13 _Entry.Accession_date 2010-12-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'extrinsic protein (16kDa) from Photosystem II' _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 Michaela Hornicakova . . . 17357 2 Norbert Muller . . . 17357 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Norbert Muller group: JKU Linz' . 17357 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17357 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 17357 '15N chemical shifts' 112 17357 '1H chemical shifts' 448 17357 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-12 2010-12-13 update BMRB 'update entry citation' 17357 1 . . 2011-02-01 2010-12-13 original author 'original release' 17357 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17357 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21259076 _Citation.Full_citation . _Citation.Title 'Backbone assignment and secondary structure of the PsbQ protein from photosystem II.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 169 _Citation.Page_last 175 _Citation.Year 2011 _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 Michaela Horniakova . . . 17357 1 2 Jaroslava Kohoutova . . . 17357 1 3 Judith Schlagnitweit . . . 17357 1 4 Christian Wohlschlager . . . 17357 1 5 Rudiger Ettrich . . . 17357 1 6 Radovan Fiala . . . 17357 1 7 Wolfgang Schoefberger . . . 17357 1 8 Norbert Muller . . . 17357 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Missing link' 17357 1 'NMR resonance assignment' 17357 1 'Photosystem II' 17357 1 'protein-protein interaction' 17357 1 PsbQ 17357 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17357 _Assembly.ID 1 _Assembly.Name 'PsbQ protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16000 _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 PsbQ 1 $PsbQ_protein A . yes native no no . . . 17357 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PsbQ_protein _Entity.Sf_category entity _Entity.Sf_framecode PsbQ_protein _Entity.Entry_ID 17357 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PsbQ_protein _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 ; EARPIVVGPPPPLSGGLPGT ENSDQARDGTLPYTKDRFYL QPLPPTEAAQRAKVSASEIL NVKQFIDRKAWPSLQNDLRL RASYLRYDLKTVISAKPKDE KKSLQELTSKLFSSIDNLDH AAKIKSPTEAEKYYGQTVSN INEVLAKLG ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2015-11-25 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 25350 . PsbQ . . . . . 100.00 149 100.00 100.00 7.70e-102 . . . . 17357 1 2 no PDB 1NZE . "Crystal Structure Of Psbq Polypeptide Of Photosystem Ii From Higher Plants" . . . . . 100.00 149 100.00 100.00 7.70e-102 . . . . 17357 1 3 no PDB 1VYK . "Crystal Structure Of Psbq Protein Of Photosystem Ii From Higher Plants" . . . . . 100.00 149 100.00 100.00 7.70e-102 . . . . 17357 1 4 no PDB 2MWQ . "Solution Structure Of Psbq From Spinacia Oleracea" . . . . . 100.00 149 100.00 100.00 7.70e-102 . . . . 17357 1 5 no EMBL CAA29056 . "16 kDa protein of the photosynthetic oxygen-evolving protein (OEC) [Spinacia oleracea]" . . . . . 100.00 232 100.00 100.00 5.42e-103 . . . . 17357 1 6 no GB KNA09121 . "hypothetical protein SOVF_156430 [Spinacia oleracea]" . . . . . 100.00 232 100.00 100.00 5.42e-103 . . . . 17357 1 7 no PRF 1307179B . "luminal protein 16kD" . . . . . 100.00 232 100.00 100.00 5.42e-103 . . . . 17357 1 8 no SP P12301 . "RecName: Full=Oxygen-evolving enhancer protein 3, chloroplastic; Short=OEE3; AltName: Full=16 kDa subunit of oxygen evolving sy" . . . . . 100.00 232 100.00 100.00 5.42e-103 . . . . 17357 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 . GLU . 17357 1 2 . ALA . 17357 1 3 . ARG . 17357 1 4 . PRO . 17357 1 5 . ILE . 17357 1 6 . VAL . 17357 1 7 . VAL . 17357 1 8 . GLY . 17357 1 9 . PRO . 17357 1 10 . PRO . 17357 1 11 . PRO . 17357 1 12 . PRO . 17357 1 13 . LEU . 17357 1 14 . SER . 17357 1 15 . GLY . 17357 1 16 . GLY . 17357 1 17 . LEU . 17357 1 18 . PRO . 17357 1 19 . GLY . 17357 1 20 . THR . 17357 1 21 . GLU . 17357 1 22 . ASN . 17357 1 23 . SER . 17357 1 24 . ASP . 17357 1 25 . GLN . 17357 1 26 . ALA . 17357 1 27 . ARG . 17357 1 28 . ASP . 17357 1 29 . GLY . 17357 1 30 . THR . 17357 1 31 . LEU . 17357 1 32 . PRO . 17357 1 33 . TYR . 17357 1 34 . THR . 17357 1 35 . LYS . 17357 1 36 . ASP . 17357 1 37 . ARG . 17357 1 38 . PHE . 17357 1 39 . TYR . 17357 1 40 . LEU . 17357 1 41 . GLN . 17357 1 42 . PRO . 17357 1 43 . LEU . 17357 1 44 . PRO . 17357 1 45 . PRO . 17357 1 46 . THR . 17357 1 47 . GLU . 17357 1 48 . ALA . 17357 1 49 . ALA . 17357 1 50 . GLN . 17357 1 51 . ARG . 17357 1 52 . ALA . 17357 1 53 . LYS . 17357 1 54 . VAL . 17357 1 55 . SER . 17357 1 56 . ALA . 17357 1 57 . SER . 17357 1 58 . GLU . 17357 1 59 . ILE . 17357 1 60 . LEU . 17357 1 61 . ASN . 17357 1 62 . VAL . 17357 1 63 . LYS . 17357 1 64 . GLN . 17357 1 65 . PHE . 17357 1 66 . ILE . 17357 1 67 . ASP . 17357 1 68 . ARG . 17357 1 69 . LYS . 17357 1 70 . ALA . 17357 1 71 . TRP . 17357 1 72 . PRO . 17357 1 73 . SER . 17357 1 74 . LEU . 17357 1 75 . GLN . 17357 1 76 . ASN . 17357 1 77 . ASP . 17357 1 78 . LEU . 17357 1 79 . ARG . 17357 1 80 . LEU . 17357 1 81 . ARG . 17357 1 82 . ALA . 17357 1 83 . SER . 17357 1 84 . TYR . 17357 1 85 . LEU . 17357 1 86 . ARG . 17357 1 87 . TYR . 17357 1 88 . ASP . 17357 1 89 . LEU . 17357 1 90 . LYS . 17357 1 91 . THR . 17357 1 92 . VAL . 17357 1 93 . ILE . 17357 1 94 . SER . 17357 1 95 . ALA . 17357 1 96 . LYS . 17357 1 97 . PRO . 17357 1 98 . LYS . 17357 1 99 . ASP . 17357 1 100 . GLU . 17357 1 101 . LYS . 17357 1 102 . LYS . 17357 1 103 . SER . 17357 1 104 . LEU . 17357 1 105 . GLN . 17357 1 106 . GLU . 17357 1 107 . LEU . 17357 1 108 . THR . 17357 1 109 . SER . 17357 1 110 . LYS . 17357 1 111 . LEU . 17357 1 112 . PHE . 17357 1 113 . SER . 17357 1 114 . SER . 17357 1 115 . ILE . 17357 1 116 . ASP . 17357 1 117 . ASN . 17357 1 118 . LEU . 17357 1 119 . ASP . 17357 1 120 . HIS . 17357 1 121 . ALA . 17357 1 122 . ALA . 17357 1 123 . LYS . 17357 1 124 . ILE . 17357 1 125 . LYS . 17357 1 126 . SER . 17357 1 127 . PRO . 17357 1 128 . THR . 17357 1 129 . GLU . 17357 1 130 . ALA . 17357 1 131 . GLU . 17357 1 132 . LYS . 17357 1 133 . TYR . 17357 1 134 . TYR . 17357 1 135 . GLY . 17357 1 136 . GLN . 17357 1 137 . THR . 17357 1 138 . VAL . 17357 1 139 . SER . 17357 1 140 . ASN . 17357 1 141 . ILE . 17357 1 142 . ASN . 17357 1 143 . GLU . 17357 1 144 . VAL . 17357 1 145 . LEU . 17357 1 146 . ALA . 17357 1 147 . LYS . 17357 1 148 . LEU . 17357 1 149 . GLY . 17357 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 . GLU 1 1 17357 1 . ALA 2 2 17357 1 . ARG 3 3 17357 1 . PRO 4 4 17357 1 . ILE 5 5 17357 1 . VAL 6 6 17357 1 . VAL 7 7 17357 1 . GLY 8 8 17357 1 . PRO 9 9 17357 1 . PRO 10 10 17357 1 . PRO 11 11 17357 1 . PRO 12 12 17357 1 . LEU 13 13 17357 1 . SER 14 14 17357 1 . GLY 15 15 17357 1 . GLY 16 16 17357 1 . LEU 17 17 17357 1 . PRO 18 18 17357 1 . GLY 19 19 17357 1 . THR 20 20 17357 1 . GLU 21 21 17357 1 . ASN 22 22 17357 1 . SER 23 23 17357 1 . ASP 24 24 17357 1 . GLN 25 25 17357 1 . ALA 26 26 17357 1 . ARG 27 27 17357 1 . ASP 28 28 17357 1 . GLY 29 29 17357 1 . THR 30 30 17357 1 . LEU 31 31 17357 1 . PRO 32 32 17357 1 . TYR 33 33 17357 1 . THR 34 34 17357 1 . LYS 35 35 17357 1 . ASP 36 36 17357 1 . ARG 37 37 17357 1 . PHE 38 38 17357 1 . TYR 39 39 17357 1 . LEU 40 40 17357 1 . GLN 41 41 17357 1 . PRO 42 42 17357 1 . LEU 43 43 17357 1 . PRO 44 44 17357 1 . PRO 45 45 17357 1 . THR 46 46 17357 1 . GLU 47 47 17357 1 . ALA 48 48 17357 1 . ALA 49 49 17357 1 . GLN 50 50 17357 1 . ARG 51 51 17357 1 . ALA 52 52 17357 1 . LYS 53 53 17357 1 . VAL 54 54 17357 1 . SER 55 55 17357 1 . ALA 56 56 17357 1 . SER 57 57 17357 1 . GLU 58 58 17357 1 . ILE 59 59 17357 1 . LEU 60 60 17357 1 . ASN 61 61 17357 1 . VAL 62 62 17357 1 . LYS 63 63 17357 1 . GLN 64 64 17357 1 . PHE 65 65 17357 1 . ILE 66 66 17357 1 . ASP 67 67 17357 1 . ARG 68 68 17357 1 . LYS 69 69 17357 1 . ALA 70 70 17357 1 . TRP 71 71 17357 1 . PRO 72 72 17357 1 . SER 73 73 17357 1 . LEU 74 74 17357 1 . GLN 75 75 17357 1 . ASN 76 76 17357 1 . ASP 77 77 17357 1 . LEU 78 78 17357 1 . ARG 79 79 17357 1 . LEU 80 80 17357 1 . ARG 81 81 17357 1 . ALA 82 82 17357 1 . SER 83 83 17357 1 . TYR 84 84 17357 1 . LEU 85 85 17357 1 . ARG 86 86 17357 1 . TYR 87 87 17357 1 . ASP 88 88 17357 1 . LEU 89 89 17357 1 . LYS 90 90 17357 1 . THR 91 91 17357 1 . VAL 92 92 17357 1 . ILE 93 93 17357 1 . SER 94 94 17357 1 . ALA 95 95 17357 1 . LYS 96 96 17357 1 . PRO 97 97 17357 1 . LYS 98 98 17357 1 . ASP 99 99 17357 1 . GLU 100 100 17357 1 . LYS 101 101 17357 1 . LYS 102 102 17357 1 . SER 103 103 17357 1 . LEU 104 104 17357 1 . GLN 105 105 17357 1 . GLU 106 106 17357 1 . LEU 107 107 17357 1 . THR 108 108 17357 1 . SER 109 109 17357 1 . LYS 110 110 17357 1 . LEU 111 111 17357 1 . PHE 112 112 17357 1 . SER 113 113 17357 1 . SER 114 114 17357 1 . ILE 115 115 17357 1 . ASP 116 116 17357 1 . ASN 117 117 17357 1 . LEU 118 118 17357 1 . ASP 119 119 17357 1 . HIS 120 120 17357 1 . ALA 121 121 17357 1 . ALA 122 122 17357 1 . LYS 123 123 17357 1 . ILE 124 124 17357 1 . LYS 125 125 17357 1 . SER 126 126 17357 1 . PRO 127 127 17357 1 . THR 128 128 17357 1 . GLU 129 129 17357 1 . ALA 130 130 17357 1 . GLU 131 131 17357 1 . LYS 132 132 17357 1 . TYR 133 133 17357 1 . TYR 134 134 17357 1 . GLY 135 135 17357 1 . GLN 136 136 17357 1 . THR 137 137 17357 1 . VAL 138 138 17357 1 . SER 139 139 17357 1 . ASN 140 140 17357 1 . ILE 141 141 17357 1 . ASN 142 142 17357 1 . GLU 143 143 17357 1 . VAL 144 144 17357 1 . LEU 145 145 17357 1 . ALA 146 146 17357 1 . LYS 147 147 17357 1 . LEU 148 148 17357 1 . GLY 149 149 17357 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 17357 _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 $PsbQ_protein . 3562 organism . 'Spinacea oleracea' spinach . . Eukaryota Viridiplantae Spinacea oleracea . . . . . . . . . . . . . . . . . . . . . 17357 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 17357 _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 $PsbQ_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . JR2592 . . . . . . 17357 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17357 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PsbQ protein' '[U-99% 13C; U-99% 15N]' . . 1 $PsbQ_protein . . 0.5 . . mM . . . . 17357 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17357 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17357 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17357 1 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 17357 _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 'ionic strength' 20 . mM 17357 1 pH 7.00 . pH 17357 1 pressure 1 . atm 17357 1 temperature 300 . K 17357 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17357 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details 'Application for the NMR spectra analysis and computer aided resonance assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17357 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17357 1 'peak picking' 17357 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17357 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17357 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17357 2 processing 17357 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17357 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with TCI cryoprobe, z-gradient, at the FMP institute in Berlin-Buch, Germany' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17357 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'at the FMP institute in Berlin-Buch, Germany' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17357 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'equipped with TCI cryoprobe with cold proton and carbon preamplifier, in NCBR Brno, Czech republic' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17357 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'equipped with TXI cryoprobe with cold proton preamplifier, Institute of Organic Chemistry, JKU Linz, Austria' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17357 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 'equipped with TCI cryoprobe, z-gradient, at the FMP institute in Berlin-Buch, Germany' . . 17357 1 2 spectrometer_2 Bruker DRX . 600 'at the FMP institute in Berlin-Buch, Germany' . . 17357 1 3 spectrometer_3 Bruker Avance . 600 'equipped with TCI cryoprobe with cold proton and carbon preamplifier, in NCBR Brno, Czech republic' . . 17357 1 4 spectrometer_4 Bruker DRX . 500 'equipped with TXI cryoprobe with cold proton preamplifier, Institute of Organic Chemistry, JKU Linz, Austria' . . 17357 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 17357 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 17357 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17357 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17357 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17357 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17357 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17357 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17357 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17357 1 9 '3D 13C detected CBCACON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17357 1 10 '3D 13C detected CBCANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17357 1 11 '2D 13C detected CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17357 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17357 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 17357 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . . . . . 17357 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17357 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132911 . . . . . . . . . 17357 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 17357 _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 . _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' . . . 17357 1 2 '3D CBCA(CO)NH' . . . 17357 1 3 '3D HNCACB' . . . 17357 1 4 '3D HNCO' . . . 17357 1 5 '3D HN(CA)CO' . . . 17357 1 6 '3D HBHA(CO)NH' . . . 17357 1 7 '3D H(CCO)NH' . . . 17357 1 8 '3D C(CO)NH' . . . 17357 1 9 '3D 13C detected CBCACON' . . . 17357 1 10 '3D 13C detected CBCANCO' . . . 17357 1 11 '2D 13C detected CON' . . . 17357 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 GLU HA H 1 4.312 0.020 . 1 . . . . 1 GLU HA . 17357 1 2 . 1 1 1 1 GLU HB2 H 1 2.037 0.020 . 2 . . . . 1 GLU HB2 . 17357 1 3 . 1 1 1 1 GLU HB3 H 1 1.930 0.020 . 2 . . . . 1 GLU HB3 . 17357 1 4 . 1 1 1 1 GLU HG2 H 1 2.246 0.020 . 1 . . . . 1 GLU HG2 . 17357 1 5 . 1 1 1 1 GLU C C 13 175.743 0.3 . 1 . . . . 1 GLU C . 17357 1 6 . 1 1 1 1 GLU CA C 13 56.121 0.3 . 1 . . . . 1 GLU CA . 17357 1 7 . 1 1 1 1 GLU CB C 13 30.354 0.3 . 1 . . . . 1 GLU CB . 17357 1 8 . 1 1 1 1 GLU CG C 13 36.119 0.3 . 1 . . . . 1 GLU CG . 17357 1 9 . 1 1 2 2 ALA H H 1 8.544 0.020 . 1 . . . . 2 ALA H . 17357 1 10 . 1 1 2 2 ALA HA H 1 4.328 0.020 . 1 . . . . 2 ALA HA . 17357 1 11 . 1 1 2 2 ALA HB1 H 1 1.350 0.020 . 1 . . . . 2 ALA HB . 17357 1 12 . 1 1 2 2 ALA HB2 H 1 1.350 0.020 . 1 . . . . 2 ALA HB . 17357 1 13 . 1 1 2 2 ALA HB3 H 1 1.350 0.020 . 1 . . . . 2 ALA HB . 17357 1 14 . 1 1 2 2 ALA C C 13 177.285 0.3 . 1 . . . . 2 ALA C . 17357 1 15 . 1 1 2 2 ALA CA C 13 52.170 0.3 . 1 . . . . 2 ALA CA . 17357 1 16 . 1 1 2 2 ALA CB C 13 19.130 0.3 . 1 . . . . 2 ALA CB . 17357 1 17 . 1 1 2 2 ALA N N 15 126.348 0.3 . 1 . . . . 2 ALA N . 17357 1 18 . 1 1 3 3 ARG H H 1 8.367 0.020 . 1 . . . . 3 ARG H . 17357 1 19 . 1 1 3 3 ARG C C 13 174.172 0.3 . 1 . . . . 3 ARG C . 17357 1 20 . 1 1 3 3 ARG CA C 13 53.650 0.3 . 1 . . . . 3 ARG CA . 17357 1 21 . 1 1 3 3 ARG CB C 13 30.174 0.3 . 1 . . . . 3 ARG CB . 17357 1 22 . 1 1 3 3 ARG N N 15 121.974 0.3 . 1 . . . . 3 ARG N . 17357 1 23 . 1 1 4 4 PRO HA H 1 4.409 0.020 . 1 . . . . 4 PRO HA . 17357 1 24 . 1 1 4 4 PRO HB2 H 1 2.254 0.020 . 1 . . . . 4 PRO HB2 . 17357 1 25 . 1 1 4 4 PRO HG2 H 1 1.984 0.020 . 2 . . . . 4 PRO HG2 . 17357 1 26 . 1 1 4 4 PRO HG3 H 1 1.827 0.020 . 2 . . . . 4 PRO HG3 . 17357 1 27 . 1 1 4 4 PRO HD2 H 1 3.778 0.020 . 2 . . . . 4 PRO HD2 . 17357 1 28 . 1 1 4 4 PRO HD3 H 1 3.589 0.020 . 2 . . . . 4 PRO HD3 . 17357 1 29 . 1 1 4 4 PRO C C 13 176.611 0.3 . 1 . . . . 4 PRO C . 17357 1 30 . 1 1 4 4 PRO CA C 13 62.654 0.3 . 1 . . . . 4 PRO CA . 17357 1 31 . 1 1 4 4 PRO CB C 13 31.976 0.3 . 1 . . . . 4 PRO CB . 17357 1 32 . 1 1 4 4 PRO CG C 13 27.319 0.3 . 1 . . . . 4 PRO CG . 17357 1 33 . 1 1 4 4 PRO N N 15 137.044 0.3 . 1 . . . . 4 PRO N . 17357 1 34 . 1 1 5 5 ILE H H 1 8.307 0.020 . 1 . . . . 5 ILE H . 17357 1 35 . 1 1 5 5 ILE HA H 1 4.112 0.020 . 1 . . . . 5 ILE HA . 17357 1 36 . 1 1 5 5 ILE HB H 1 1.788 0.020 . 1 . . . . 5 ILE HB . 17357 1 37 . 1 1 5 5 ILE HG12 H 1 1.498 0.020 . 2 . . . . 5 ILE HG12 . 17357 1 38 . 1 1 5 5 ILE HG13 H 1 1.179 0.020 . 2 . . . . 5 ILE HG13 . 17357 1 39 . 1 1 5 5 ILE HG21 H 1 0.853 0.020 . 1 . . . . 5 ILE HG2 . 17357 1 40 . 1 1 5 5 ILE HG22 H 1 0.853 0.020 . 1 . . . . 5 ILE HG2 . 17357 1 41 . 1 1 5 5 ILE HG23 H 1 0.853 0.020 . 1 . . . . 5 ILE HG2 . 17357 1 42 . 1 1 5 5 ILE HD11 H 1 0.576 0.020 . 1 . . . . 5 ILE HD1 . 17357 1 43 . 1 1 5 5 ILE HD12 H 1 0.576 0.020 . 1 . . . . 5 ILE HD1 . 17357 1 44 . 1 1 5 5 ILE HD13 H 1 0.576 0.020 . 1 . . . . 5 ILE HD1 . 17357 1 45 . 1 1 5 5 ILE C C 13 176.192 0.3 . 1 . . . . 5 ILE C . 17357 1 46 . 1 1 5 5 ILE CA C 13 61.118 0.3 . 1 . . . . 5 ILE CA . 17357 1 47 . 1 1 5 5 ILE CB C 13 38.567 0.3 . 1 . . . . 5 ILE CB . 17357 1 48 . 1 1 5 5 ILE CG1 C 13 27.300 0.3 . 1 . . . . 5 ILE CG1 . 17357 1 49 . 1 1 5 5 ILE CG2 C 13 17.394 0.3 . 1 . . . . 5 ILE CG2 . 17357 1 50 . 1 1 5 5 ILE CD1 C 13 13.098 0.3 . 1 . . . . 5 ILE CD1 . 17357 1 51 . 1 1 5 5 ILE N N 15 121.848 0.3 . 1 . . . . 5 ILE N . 17357 1 52 . 1 1 6 6 VAL H H 1 8.293 0.020 . 1 . . . . 6 VAL H . 17357 1 53 . 1 1 6 6 VAL HA H 1 4.143 0.020 . 1 . . . . 6 VAL HA . 17357 1 54 . 1 1 6 6 VAL HB H 1 2.000 0.020 . 1 . . . . 6 VAL HB . 17357 1 55 . 1 1 6 6 VAL HG11 H 1 0.860 0.020 . 1 . . . . 6 VAL HG1 . 17357 1 56 . 1 1 6 6 VAL HG12 H 1 0.860 0.020 . 1 . . . . 6 VAL HG1 . 17357 1 57 . 1 1 6 6 VAL HG13 H 1 0.860 0.020 . 1 . . . . 6 VAL HG1 . 17357 1 58 . 1 1 6 6 VAL C C 13 175.804 0.3 . 1 . . . . 6 VAL C . 17357 1 59 . 1 1 6 6 VAL CA C 13 62.102 0.3 . 1 . . . . 6 VAL CA . 17357 1 60 . 1 1 6 6 VAL CB C 13 32.774 0.3 . 1 . . . . 6 VAL CB . 17357 1 61 . 1 1 6 6 VAL CG1 C 13 20.942 0.3 . 1 . . . . 6 VAL CG1 . 17357 1 62 . 1 1 6 6 VAL N N 15 125.954 0.3 . 1 . . . . 6 VAL N . 17357 1 63 . 1 1 7 7 VAL H H 1 8.382 0.020 . 1 . . . . 7 VAL H . 17357 1 64 . 1 1 7 7 VAL HA H 1 4.139 0.020 . 1 . . . . 7 VAL HA . 17357 1 65 . 1 1 7 7 VAL HB H 1 2.037 0.020 . 1 . . . . 7 VAL HB . 17357 1 66 . 1 1 7 7 VAL HG11 H 1 0.904 0.020 . 1 . . . . 7 VAL HG1 . 17357 1 67 . 1 1 7 7 VAL HG12 H 1 0.904 0.020 . 1 . . . . 7 VAL HG1 . 17357 1 68 . 1 1 7 7 VAL HG13 H 1 0.904 0.020 . 1 . . . . 7 VAL HG1 . 17357 1 69 . 1 1 7 7 VAL C C 13 176.092 0.3 . 1 . . . . 7 VAL C . 17357 1 70 . 1 1 7 7 VAL CA C 13 62.148 0.3 . 1 . . . . 7 VAL CA . 17357 1 71 . 1 1 7 7 VAL CB C 13 32.716 0.3 . 1 . . . . 7 VAL CB . 17357 1 72 . 1 1 7 7 VAL CG1 C 13 20.942 0.3 . 1 . . . . 7 VAL CG1 . 17357 1 73 . 1 1 7 7 VAL N N 15 125.834 0.3 . 1 . . . . 7 VAL N . 17357 1 74 . 1 1 8 8 GLY H H 1 8.338 0.020 . 1 . . . . 8 GLY H . 17357 1 75 . 1 1 8 8 GLY HA2 H 1 4.146 0.020 . 2 . . . . 8 GLY HA2 . 17357 1 76 . 1 1 8 8 GLY HA3 H 1 3.986 0.020 . 2 . . . . 8 GLY HA3 . 17357 1 77 . 1 1 8 8 GLY C C 13 170.954 0.3 . 1 . . . . 8 GLY C . 17357 1 78 . 1 1 8 8 GLY CA C 13 44.319 0.3 . 1 . . . . 8 GLY CA . 17357 1 79 . 1 1 8 8 GLY N N 15 113.433 0.3 . 1 . . . . 8 GLY N . 17357 1 80 . 1 1 9 9 PRO C C 13 174.457 0.3 . 1 . . . . 9 PRO C . 17357 1 81 . 1 1 9 9 PRO CA C 13 61.279 0.3 . 1 . . . . 9 PRO CA . 17357 1 82 . 1 1 9 9 PRO CB C 13 30.772 0.3 . 1 . . . . 9 PRO CB . 17357 1 83 . 1 1 9 9 PRO N N 15 135.780 0.3 . 1 . . . . 9 PRO N . 17357 1 84 . 1 1 10 10 PRO C C 13 174.298 0.3 . 1 . . . . 10 PRO C . 17357 1 85 . 1 1 10 10 PRO CA C 13 61.352 0.3 . 1 . . . . 10 PRO CA . 17357 1 86 . 1 1 10 10 PRO CB C 13 30.301 0.3 . 1 . . . . 10 PRO CB . 17357 1 87 . 1 1 10 10 PRO N N 15 136.956 0.3 . 1 . . . . 10 PRO N . 17357 1 88 . 1 1 11 11 PRO C C 13 174.799 0.3 . 1 . . . . 11 PRO C . 17357 1 89 . 1 1 11 11 PRO CA C 13 61.382 0.3 . 1 . . . . 11 PRO CA . 17357 1 90 . 1 1 11 11 PRO CB C 13 30.856 0.3 . 1 . . . . 11 PRO CB . 17357 1 91 . 1 1 11 11 PRO N N 15 136.418 0.3 . 1 . . . . 11 PRO N . 17357 1 92 . 1 1 12 12 PRO HA H 1 4.403 0.020 . 1 . . . . 12 PRO HA . 17357 1 93 . 1 1 12 12 PRO HB2 H 1 1.900 0.020 . 2 . . . . 12 PRO HB2 . 17357 1 94 . 1 1 12 12 PRO HB3 H 1 2.236 0.020 . 2 . . . . 12 PRO HB3 . 17357 1 95 . 1 1 12 12 PRO HG2 H 1 1.978 0.020 . 2 . . . . 12 PRO HG2 . 17357 1 96 . 1 1 12 12 PRO HG3 H 1 1.334 0.020 . 2 . . . . 12 PRO HG3 . 17357 1 97 . 1 1 12 12 PRO HD2 H 1 3.598 0.020 . 2 . . . . 12 PRO HD2 . 17357 1 98 . 1 1 12 12 PRO HD3 H 1 3.756 0.020 . 2 . . . . 12 PRO HD3 . 17357 1 99 . 1 1 12 12 PRO C C 13 177.050 0.3 . 1 . . . . 12 PRO C . 17357 1 100 . 1 1 12 12 PRO CA C 13 62.755 0.3 . 1 . . . . 12 PRO CA . 17357 1 101 . 1 1 12 12 PRO CB C 13 31.867 0.3 . 1 . . . . 12 PRO CB . 17357 1 102 . 1 1 12 12 PRO CG C 13 27.319 0.3 . 1 . . . . 12 PRO CG . 17357 1 103 . 1 1 12 12 PRO N N 15 135.006 0.3 . 1 . . . . 12 PRO N . 17357 1 104 . 1 1 13 13 LEU H H 1 8.402 0.020 . 1 . . . . 13 LEU H . 17357 1 105 . 1 1 13 13 LEU HA H 1 4.316 0.020 . 1 . . . . 13 LEU HA . 17357 1 106 . 1 1 13 13 LEU HB2 H 1 1.599 0.020 . 1 . . . . 13 LEU HB2 . 17357 1 107 . 1 1 13 13 LEU HD11 H 1 0.879 0.020 . 1 . . . . 13 LEU HD1 . 17357 1 108 . 1 1 13 13 LEU HD12 H 1 0.879 0.020 . 1 . . . . 13 LEU HD1 . 17357 1 109 . 1 1 13 13 LEU HD13 H 1 0.879 0.020 . 1 . . . . 13 LEU HD1 . 17357 1 110 . 1 1 13 13 LEU C C 13 177.667 0.3 . 1 . . . . 13 LEU C . 17357 1 111 . 1 1 13 13 LEU CA C 13 55.200 0.3 . 1 . . . . 13 LEU CA . 17357 1 112 . 1 1 13 13 LEU CB C 13 42.153 0.3 . 1 . . . . 13 LEU CB . 17357 1 113 . 1 1 13 13 LEU CG C 13 27.034 0.3 . 1 . . . . 13 LEU CG . 17357 1 114 . 1 1 13 13 LEU CD1 C 13 25.035 0.3 . 1 . . . . 13 LEU CD1 . 17357 1 115 . 1 1 13 13 LEU N N 15 122.288 0.3 . 1 . . . . 13 LEU N . 17357 1 116 . 1 1 14 14 SER H H 1 8.327 0.020 . 1 . . . . 14 SER H . 17357 1 117 . 1 1 14 14 SER HA H 1 4.418 0.020 . 1 . . . . 14 SER HA . 17357 1 118 . 1 1 14 14 SER HB2 H 1 3.848 0.020 . 1 . . . . 14 SER HB2 . 17357 1 119 . 1 1 14 14 SER C C 13 175.007 0.3 . 1 . . . . 14 SER C . 17357 1 120 . 1 1 14 14 SER CA C 13 58.346 0.3 . 1 . . . . 14 SER CA . 17357 1 121 . 1 1 14 14 SER CB C 13 63.652 0.3 . 1 . . . . 14 SER CB . 17357 1 122 . 1 1 14 14 SER N N 15 116.357 0.3 . 1 . . . . 14 SER N . 17357 1 123 . 1 1 15 15 GLY H H 1 8.450 0.020 . 1 . . . . 15 GLY H . 17357 1 124 . 1 1 15 15 GLY HA2 H 1 3.967 0.020 . 1 . . . . 15 GLY HA2 . 17357 1 125 . 1 1 15 15 GLY C C 13 174.457 0.3 . 1 . . . . 15 GLY C . 17357 1 126 . 1 1 15 15 GLY CA C 13 45.246 0.3 . 1 . . . . 15 GLY CA . 17357 1 127 . 1 1 15 15 GLY N N 15 110.900 0.3 . 1 . . . . 15 GLY N . 17357 1 128 . 1 1 16 16 GLY H H 1 8.240 0.020 . 1 . . . . 16 GLY H . 17357 1 129 . 1 1 16 16 GLY HA2 H 1 3.917 0.020 . 1 . . . . 16 GLY HA2 . 17357 1 130 . 1 1 16 16 GLY C C 13 173.717 0.3 . 1 . . . . 16 GLY C . 17357 1 131 . 1 1 16 16 GLY CA C 13 44.919 0.3 . 1 . . . . 16 GLY CA . 17357 1 132 . 1 1 16 16 GLY N N 15 108.399 0.3 . 1 . . . . 16 GLY N . 17357 1 133 . 1 1 17 17 LEU H H 1 8.183 0.020 . 1 . . . . 17 LEU H . 17357 1 134 . 1 1 17 17 LEU C C 13 175.465 0.3 . 1 . . . . 17 LEU C . 17357 1 135 . 1 1 17 17 LEU CA C 13 53.028 0.3 . 1 . . . . 17 LEU CA . 17357 1 136 . 1 1 17 17 LEU CB C 13 41.503 0.3 . 1 . . . . 17 LEU CB . 17357 1 137 . 1 1 17 17 LEU N N 15 122.717 0.3 . 1 . . . . 17 LEU N . 17357 1 138 . 1 1 18 18 PRO HA H 1 4.424 0.020 . 1 . . . . 18 PRO HA . 17357 1 139 . 1 1 18 18 PRO HB2 H 1 2.287 0.020 . 2 . . . . 18 PRO HB2 . 17357 1 140 . 1 1 18 18 PRO HB3 H 1 1.929 0.020 . 2 . . . . 18 PRO HB3 . 17357 1 141 . 1 1 18 18 PRO HG2 H 1 2.053 0.020 . 2 . . . . 18 PRO HG2 . 17357 1 142 . 1 1 18 18 PRO HG3 H 1 1.990 0.020 . 2 . . . . 18 PRO HG3 . 17357 1 143 . 1 1 18 18 PRO HD2 H 1 3.840 0.020 . 2 . . . . 18 PRO HD2 . 17357 1 144 . 1 1 18 18 PRO HD3 H 1 3.635 0.020 . 2 . . . . 18 PRO HD3 . 17357 1 145 . 1 1 18 18 PRO C C 13 177.505 0.3 . 1 . . . . 18 PRO C . 17357 1 146 . 1 1 18 18 PRO CA C 13 63.625 0.3 . 1 . . . . 18 PRO CA . 17357 1 147 . 1 1 18 18 PRO CB C 13 31.975 0.3 . 1 . . . . 18 PRO CB . 17357 1 148 . 1 1 18 18 PRO CG C 13 27.414 0.3 . 1 . . . . 18 PRO CG . 17357 1 149 . 1 1 18 18 PRO N N 15 136.735 0.3 . 1 . . . . 18 PRO N . 17357 1 150 . 1 1 19 19 GLY H H 1 8.623 0.020 . 1 . . . . 19 GLY H . 17357 1 151 . 1 1 19 19 GLY HA2 H 1 4.004 0.020 . 1 . . . . 19 GLY HA2 . 17357 1 152 . 1 1 19 19 GLY C C 13 174.710 0.3 . 1 . . . . 19 GLY C . 17357 1 153 . 1 1 19 19 GLY CA C 13 45.286 0.3 . 1 . . . . 19 GLY CA . 17357 1 154 . 1 1 19 19 GLY N N 15 109.856 0.3 . 1 . . . . 19 GLY N . 17357 1 155 . 1 1 20 20 THR H H 1 8.014 0.020 . 1 . . . . 20 THR H . 17357 1 156 . 1 1 20 20 THR HA H 1 4.300 0.020 . 1 . . . . 20 THR HA . 17357 1 157 . 1 1 20 20 THR HG21 H 1 1.156 0.020 . 1 . . . . 20 THR HG2 . 17357 1 158 . 1 1 20 20 THR HG22 H 1 1.156 0.020 . 1 . . . . 20 THR HG2 . 17357 1 159 . 1 1 20 20 THR HG23 H 1 1.156 0.020 . 1 . . . . 20 THR HG2 . 17357 1 160 . 1 1 20 20 THR C C 13 174.913 0.3 . 1 . . . . 20 THR C . 17357 1 161 . 1 1 20 20 THR CA C 13 61.729 0.3 . 1 . . . . 20 THR CA . 17357 1 162 . 1 1 20 20 THR CB C 13 69.809 0.3 . 1 . . . . 20 THR CB . 17357 1 163 . 1 1 20 20 THR CG2 C 13 21.703 0.3 . 1 . . . . 20 THR CG2 . 17357 1 164 . 1 1 20 20 THR N N 15 112.643 0.3 . 1 . . . . 20 THR N . 17357 1 165 . 1 1 21 21 GLU H H 1 8.730 0.020 . 1 . . . . 21 GLU H . 17357 1 166 . 1 1 21 21 GLU HA H 1 4.266 0.020 . 1 . . . . 21 GLU HA . 17357 1 167 . 1 1 21 21 GLU HB2 H 1 1.975 0.020 . 1 . . . . 21 GLU HB2 . 17357 1 168 . 1 1 21 21 GLU HG2 H 1 2.233 0.020 . 1 . . . . 21 GLU HG2 . 17357 1 169 . 1 1 21 21 GLU C C 13 176.296 0.3 . 1 . . . . 21 GLU C . 17357 1 170 . 1 1 21 21 GLU CA C 13 56.786 0.3 . 1 . . . . 21 GLU CA . 17357 1 171 . 1 1 21 21 GLU CB C 13 29.952 0.3 . 1 . . . . 21 GLU CB . 17357 1 172 . 1 1 21 21 GLU CG C 13 36.077 0.3 . 1 . . . . 21 GLU CG . 17357 1 173 . 1 1 21 21 GLU N N 15 123.179 0.3 . 1 . . . . 21 GLU N . 17357 1 174 . 1 1 22 22 ASN H H 1 8.513 0.020 . 1 . . . . 22 ASN H . 17357 1 175 . 1 1 22 22 ASN HA H 1 4.727 0.020 . 1 . . . . 22 ASN HA . 17357 1 176 . 1 1 22 22 ASN HB2 H 1 2.784 0.020 . 2 . . . . 22 ASN HB2 . 17357 1 177 . 1 1 22 22 ASN HB3 H 1 2.868 0.020 . 2 . . . . 22 ASN HB3 . 17357 1 178 . 1 1 22 22 ASN C C 13 175.406 0.3 . 1 . . . . 22 ASN C . 17357 1 179 . 1 1 22 22 ASN CA C 13 53.189 0.3 . 1 . . . . 22 ASN CA . 17357 1 180 . 1 1 22 22 ASN CB C 13 38.904 0.3 . 1 . . . . 22 ASN CB . 17357 1 181 . 1 1 22 22 ASN N N 15 119.703 0.3 . 1 . . . . 22 ASN N . 17357 1 182 . 1 1 23 23 SER H H 1 8.335 0.020 . 1 . . . . 23 SER H . 17357 1 183 . 1 1 23 23 SER HA H 1 4.417 0.020 . 1 . . . . 23 SER HA . 17357 1 184 . 1 1 23 23 SER HB2 H 1 3.925 0.020 . 2 . . . . 23 SER HB2 . 17357 1 185 . 1 1 23 23 SER HB3 H 1 3.844 0.020 . 2 . . . . 23 SER HB3 . 17357 1 186 . 1 1 23 23 SER C C 13 174.597 0.3 . 1 . . . . 23 SER C . 17357 1 187 . 1 1 23 23 SER CA C 13 58.535 0.3 . 1 . . . . 23 SER CA . 17357 1 188 . 1 1 23 23 SER CB C 13 63.648 0.3 . 1 . . . . 23 SER CB . 17357 1 189 . 1 1 23 23 SER N N 15 116.494 0.3 . 1 . . . . 23 SER N . 17357 1 190 . 1 1 24 24 ASP H H 1 8.460 0.020 . 1 . . . . 24 ASP H . 17357 1 191 . 1 1 24 24 ASP HA H 1 4.552 0.020 . 1 . . . . 24 ASP HA . 17357 1 192 . 1 1 24 24 ASP HB2 H 1 2.660 0.020 . 1 . . . . 24 ASP HB2 . 17357 1 193 . 1 1 24 24 ASP C C 13 176.498 0.3 . 1 . . . . 24 ASP C . 17357 1 194 . 1 1 24 24 ASP CA C 13 54.617 0.3 . 1 . . . . 24 ASP CA . 17357 1 195 . 1 1 24 24 ASP CB C 13 40.809 0.3 . 1 . . . . 24 ASP CB . 17357 1 196 . 1 1 24 24 ASP N N 15 122.401 0.3 . 1 . . . . 24 ASP N . 17357 1 197 . 1 1 25 25 GLN H H 1 8.188 0.020 . 1 . . . . 25 GLN H . 17357 1 198 . 1 1 25 25 GLN HA H 1 4.228 0.020 . 1 . . . . 25 GLN HA . 17357 1 199 . 1 1 25 25 GLN HB2 H 1 2.025 0.020 . 1 . . . . 25 GLN HB2 . 17357 1 200 . 1 1 25 25 GLN HG2 H 1 2.616 0.020 . 2 . . . . 25 GLN HG2 . 17357 1 201 . 1 1 25 25 GLN HG3 H 1 2.326 0.020 . 2 . . . . 25 GLN HG3 . 17357 1 202 . 1 1 25 25 GLN C C 13 176.011 0.3 . 1 . . . . 25 GLN C . 17357 1 203 . 1 1 25 25 GLN CA C 13 56.103 0.3 . 1 . . . . 25 GLN CA . 17357 1 204 . 1 1 25 25 GLN CB C 13 29.329 0.3 . 1 . . . . 25 GLN CB . 17357 1 205 . 1 1 25 25 GLN CG C 13 33.792 0.3 . 1 . . . . 25 GLN CG . 17357 1 206 . 1 1 25 25 GLN N N 15 120.147 0.3 . 1 . . . . 25 GLN N . 17357 1 207 . 1 1 26 26 ALA H H 1 8.245 0.020 . 1 . . . . 26 ALA H . 17357 1 208 . 1 1 26 26 ALA HA H 1 4.228 0.020 . 1 . . . . 26 ALA HA . 17357 1 209 . 1 1 26 26 ALA HB1 H 1 1.377 0.020 . 1 . . . . 26 ALA HB . 17357 1 210 . 1 1 26 26 ALA HB2 H 1 1.377 0.020 . 1 . . . . 26 ALA HB . 17357 1 211 . 1 1 26 26 ALA HB3 H 1 1.377 0.020 . 1 . . . . 26 ALA HB . 17357 1 212 . 1 1 26 26 ALA C C 13 178.001 0.3 . 1 . . . . 26 ALA C . 17357 1 213 . 1 1 26 26 ALA CA C 13 52.678 0.3 . 1 . . . . 26 ALA CA . 17357 1 214 . 1 1 26 26 ALA CB C 13 18.768 0.3 . 1 . . . . 26 ALA CB . 17357 1 215 . 1 1 26 26 ALA N N 15 124.350 0.3 . 1 . . . . 26 ALA N . 17357 1 216 . 1 1 27 27 ARG H H 1 8.238 0.020 . 1 . . . . 27 ARG H . 17357 1 217 . 1 1 27 27 ARG HA H 1 4.291 0.020 . 1 . . . . 27 ARG HA . 17357 1 218 . 1 1 27 27 ARG HB2 H 1 1.825 0.020 . 2 . . . . 27 ARG HB2 . 17357 1 219 . 1 1 27 27 ARG HB3 H 1 1.340 0.020 . 2 . . . . 27 ARG HB3 . 17357 1 220 . 1 1 27 27 ARG HD2 H 1 3.143 0.020 . 1 . . . . 27 ARG HD2 . 17357 1 221 . 1 1 27 27 ARG C C 13 176.263 0.3 . 1 . . . . 27 ARG C . 17357 1 222 . 1 1 27 27 ARG CA C 13 56.042 0.3 . 1 . . . . 27 ARG CA . 17357 1 223 . 1 1 27 27 ARG CB C 13 30.839 0.3 . 1 . . . . 27 ARG CB . 17357 1 224 . 1 1 27 27 ARG N N 15 120.309 0.3 . 1 . . . . 27 ARG N . 17357 1 225 . 1 1 28 28 ASP H H 1 8.351 0.020 . 1 . . . . 28 ASP H . 17357 1 226 . 1 1 28 28 ASP HA H 1 4.552 0.020 . 1 . . . . 28 ASP HA . 17357 1 227 . 1 1 28 28 ASP HB2 H 1 2.685 0.020 . 1 . . . . 28 ASP HB2 . 17357 1 228 . 1 1 28 28 ASP C C 13 176.867 0.3 . 1 . . . . 28 ASP C . 17357 1 229 . 1 1 28 28 ASP CA C 13 54.314 0.3 . 1 . . . . 28 ASP CA . 17357 1 230 . 1 1 28 28 ASP CB C 13 41.058 0.3 . 1 . . . . 28 ASP CB . 17357 1 231 . 1 1 28 28 ASP N N 15 121.172 0.3 . 1 . . . . 28 ASP N . 17357 1 232 . 1 1 29 29 GLY H H 1 8.381 0.020 . 1 . . . . 29 GLY H . 17357 1 233 . 1 1 29 29 GLY HA2 H 1 3.967 0.020 . 1 . . . . 29 GLY HA2 . 17357 1 234 . 1 1 29 29 GLY C C 13 174.550 0.3 . 1 . . . . 29 GLY C . 17357 1 235 . 1 1 29 29 GLY CA C 13 45.421 0.3 . 1 . . . . 29 GLY CA . 17357 1 236 . 1 1 29 29 GLY N N 15 109.645 0.3 . 1 . . . . 29 GLY N . 17357 1 237 . 1 1 30 30 THR H H 1 8.121 0.020 . 1 . . . . 30 THR H . 17357 1 238 . 1 1 30 30 THR HA H 1 4.216 0.020 . 1 . . . . 30 THR HA . 17357 1 239 . 1 1 30 30 THR HG21 H 1 1.151 0.020 . 1 . . . . 30 THR HG2 . 17357 1 240 . 1 1 30 30 THR HG22 H 1 1.151 0.020 . 1 . . . . 30 THR HG2 . 17357 1 241 . 1 1 30 30 THR HG23 H 1 1.151 0.020 . 1 . . . . 30 THR HG2 . 17357 1 242 . 1 1 30 30 THR C C 13 174.550 0.3 . 1 . . . . 30 THR C . 17357 1 243 . 1 1 30 30 THR CA C 13 62.164 0.3 . 1 . . . . 30 THR CA . 17357 1 244 . 1 1 30 30 THR CB C 13 69.855 0.3 . 1 . . . . 30 THR CB . 17357 1 245 . 1 1 30 30 THR CG2 C 13 21.667 0.3 . 1 . . . . 30 THR CG2 . 17357 1 246 . 1 1 30 30 THR N N 15 113.599 0.3 . 1 . . . . 30 THR N . 17357 1 247 . 1 1 31 31 LEU H H 1 8.173 0.020 . 1 . . . . 31 LEU H . 17357 1 248 . 1 1 31 31 LEU C C 13 175.354 0.3 . 1 . . . . 31 LEU C . 17357 1 249 . 1 1 31 31 LEU CA C 13 52.903 0.3 . 1 . . . . 31 LEU CA . 17357 1 250 . 1 1 31 31 LEU CB C 13 41.761 0.3 . 1 . . . . 31 LEU CB . 17357 1 251 . 1 1 31 31 LEU N N 15 125.505 0.3 . 1 . . . . 31 LEU N . 17357 1 252 . 1 1 32 32 PRO HA H 1 4.288 0.020 . 1 . . . . 32 PRO HA . 17357 1 253 . 1 1 32 32 PRO HB2 H 1 1.772 0.020 . 1 . . . . 32 PRO HB2 . 17357 1 254 . 1 1 32 32 PRO HG2 H 1 1.911 0.020 . 1 . . . . 32 PRO HG2 . 17357 1 255 . 1 1 32 32 PRO HD2 H 1 3.774 0.020 . 2 . . . . 32 PRO HD2 . 17357 1 256 . 1 1 32 32 PRO HD3 H 1 3.535 0.020 . 2 . . . . 32 PRO HD3 . 17357 1 257 . 1 1 32 32 PRO C C 13 176.448 0.3 . 1 . . . . 32 PRO C . 17357 1 258 . 1 1 32 32 PRO CA C 13 63.250 0.3 . 1 . . . . 32 PRO CA . 17357 1 259 . 1 1 32 32 PRO CB C 13 31.720 0.3 . 1 . . . . 32 PRO CB . 17357 1 260 . 1 1 32 32 PRO N N 15 135.635 0.3 . 1 . . . . 32 PRO N . 17357 1 261 . 1 1 33 33 TYR H H 1 8.127 0.020 . 1 . . . . 33 TYR H . 17357 1 262 . 1 1 33 33 TYR HA H 1 4.554 0.020 . 1 . . . . 33 TYR HA . 17357 1 263 . 1 1 33 33 TYR HB2 H 1 2.974 0.020 . 1 . . . . 33 TYR HB2 . 17357 1 264 . 1 1 33 33 TYR C C 13 175.914 0.3 . 1 . . . . 33 TYR C . 17357 1 265 . 1 1 33 33 TYR CA C 13 57.785 0.3 . 1 . . . . 33 TYR CA . 17357 1 266 . 1 1 33 33 TYR CB C 13 38.379 0.3 . 1 . . . . 33 TYR CB . 17357 1 267 . 1 1 33 33 TYR N N 15 119.889 0.3 . 1 . . . . 33 TYR N . 17357 1 268 . 1 1 34 34 THR H H 1 7.853 0.020 . 1 . . . . 34 THR H . 17357 1 269 . 1 1 34 34 THR HA H 1 3.917 0.020 . 1 . . . . 34 THR HA . 17357 1 270 . 1 1 34 34 THR C C 13 174.362 0.3 . 1 . . . . 34 THR C . 17357 1 271 . 1 1 34 34 THR CA C 13 61.287 0.3 . 1 . . . . 34 THR CA . 17357 1 272 . 1 1 34 34 THR CB C 13 69.902 0.3 . 1 . . . . 34 THR CB . 17357 1 273 . 1 1 34 34 THR N N 15 115.570 0.3 . 1 . . . . 34 THR N . 17357 1 274 . 1 1 35 35 LYS H H 1 8.207 0.020 . 1 . . . . 35 LYS H . 17357 1 275 . 1 1 35 35 LYS CA C 13 56.807 0.3 . 1 . . . . 35 LYS CA . 17357 1 276 . 1 1 35 35 LYS CB C 13 32.619 0.3 . 1 . . . . 35 LYS CB . 17357 1 277 . 1 1 35 35 LYS N N 15 122.771 0.3 . 1 . . . . 35 LYS N . 17357 1 278 . 1 1 37 37 ARG H H 1 8.928 0.020 . 1 . . . . 37 ARG H . 17357 1 279 . 1 1 37 37 ARG HA H 1 3.780 0.020 . 1 . . . . 37 ARG HA . 17357 1 280 . 1 1 37 37 ARG HB2 H 1 1.776 0.020 . 1 . . . . 37 ARG HB2 . 17357 1 281 . 1 1 37 37 ARG HG2 H 1 1.148 0.020 . 1 . . . . 37 ARG HG2 . 17357 1 282 . 1 1 37 37 ARG HD2 H 1 2.744 0.020 . 1 . . . . 37 ARG HD2 . 17357 1 283 . 1 1 37 37 ARG C C 13 178.008 0.3 . 1 . . . . 37 ARG C . 17357 1 284 . 1 1 37 37 ARG CA C 13 60.018 0.3 . 1 . . . . 37 ARG CA . 17357 1 285 . 1 1 37 37 ARG CB C 13 30.364 0.3 . 1 . . . . 37 ARG CB . 17357 1 286 . 1 1 37 37 ARG N N 15 118.964 0.3 . 1 . . . . 37 ARG N . 17357 1 287 . 1 1 38 38 PHE H H 1 7.570 0.020 . 1 . . . . 38 PHE H . 17357 1 288 . 1 1 38 38 PHE C C 13 178.384 0.3 . 1 . . . . 38 PHE C . 17357 1 289 . 1 1 38 38 PHE CA C 13 61.719 0.3 . 1 . . . . 38 PHE CA . 17357 1 290 . 1 1 38 38 PHE CB C 13 39.083 0.3 . 1 . . . . 38 PHE CB . 17357 1 291 . 1 1 38 38 PHE N N 15 117.968 0.3 . 1 . . . . 38 PHE N . 17357 1 292 . 1 1 39 39 TYR H H 1 7.766 0.020 . 1 . . . . 39 TYR H . 17357 1 293 . 1 1 39 39 TYR CA C 13 57.761 0.3 . 1 . . . . 39 TYR CA . 17357 1 294 . 1 1 39 39 TYR CB C 13 40.827 0.3 . 1 . . . . 39 TYR CB . 17357 1 295 . 1 1 39 39 TYR N N 15 117.979 0.3 . 1 . . . . 39 TYR N . 17357 1 296 . 1 1 41 41 GLN C C 13 173.826 0.3 . 1 . . . . 41 GLN C . 17357 1 297 . 1 1 41 41 GLN CA C 13 53.329 0.3 . 1 . . . . 41 GLN CA . 17357 1 298 . 1 1 41 41 GLN CB C 13 29.121 0.3 . 1 . . . . 41 GLN CB . 17357 1 299 . 1 1 42 42 PRO HA H 1 4.521 0.020 . 1 . . . . 42 PRO HA . 17357 1 300 . 1 1 42 42 PRO HB2 H 1 2.299 0.020 . 2 . . . . 42 PRO HB2 . 17357 1 301 . 1 1 42 42 PRO HB3 H 1 1.875 0.020 . 2 . . . . 42 PRO HB3 . 17357 1 302 . 1 1 42 42 PRO HG2 H 1 2.025 0.020 . 1 . . . . 42 PRO HG2 . 17357 1 303 . 1 1 42 42 PRO HD2 H 1 3.842 0.020 . 2 . . . . 42 PRO HD2 . 17357 1 304 . 1 1 42 42 PRO HD3 H 1 3.668 0.020 . 2 . . . . 42 PRO HD3 . 17357 1 305 . 1 1 42 42 PRO C C 13 176.576 0.3 . 1 . . . . 42 PRO C . 17357 1 306 . 1 1 42 42 PRO CA C 13 63.355 0.3 . 1 . . . . 42 PRO CA . 17357 1 307 . 1 1 42 42 PRO CB C 13 32.351 0.3 . 1 . . . . 42 PRO CB . 17357 1 308 . 1 1 42 42 PRO CG C 13 27.414 0.3 . 1 . . . . 42 PRO CG . 17357 1 309 . 1 1 42 42 PRO N N 15 138.337 0.3 . 1 . . . . 42 PRO N . 17357 1 310 . 1 1 43 43 LEU H H 1 8.446 0.020 . 1 . . . . 43 LEU H . 17357 1 311 . 1 1 43 43 LEU C C 13 174.668 0.3 . 1 . . . . 43 LEU C . 17357 1 312 . 1 1 43 43 LEU CA C 13 51.696 0.3 . 1 . . . . 43 LEU CA . 17357 1 313 . 1 1 43 43 LEU CB C 13 44.465 0.3 . 1 . . . . 43 LEU CB . 17357 1 314 . 1 1 43 43 LEU N N 15 123.225 0.3 . 1 . . . . 43 LEU N . 17357 1 315 . 1 1 44 44 PRO C C 13 175.261 0.3 . 1 . . . . 44 PRO C . 17357 1 316 . 1 1 44 44 PRO CA C 13 61.348 0.3 . 1 . . . . 44 PRO CA . 17357 1 317 . 1 1 44 44 PRO CB C 13 30.811 0.3 . 1 . . . . 44 PRO CB . 17357 1 318 . 1 1 44 44 PRO N N 15 133.601 0.3 . 1 . . . . 44 PRO N . 17357 1 319 . 1 1 45 45 PRO HA H 1 3.965 0.020 . 1 . . . . 45 PRO HA . 17357 1 320 . 1 1 45 45 PRO HB2 H 1 2.212 0.020 . 1 . . . . 45 PRO HB2 . 17357 1 321 . 1 1 45 45 PRO C C 13 178.342 0.3 . 1 . . . . 45 PRO C . 17357 1 322 . 1 1 45 45 PRO CA C 13 67.129 0.3 . 1 . . . . 45 PRO CA . 17357 1 323 . 1 1 45 45 PRO CB C 13 32.239 0.3 . 1 . . . . 45 PRO CB . 17357 1 324 . 1 1 45 45 PRO N N 15 133.441 0.3 . 1 . . . . 45 PRO N . 17357 1 325 . 1 1 46 46 THR H H 1 8.726 0.020 . 1 . . . . 46 THR H . 17357 1 326 . 1 1 46 46 THR HA H 1 3.979 0.020 . 1 . . . . 46 THR HA . 17357 1 327 . 1 1 46 46 THR HG21 H 1 1.251 0.020 . 1 . . . . 46 THR HG2 . 17357 1 328 . 1 1 46 46 THR HG22 H 1 1.251 0.020 . 1 . . . . 46 THR HG2 . 17357 1 329 . 1 1 46 46 THR HG23 H 1 1.251 0.020 . 1 . . . . 46 THR HG2 . 17357 1 330 . 1 1 46 46 THR C C 13 176.671 0.3 . 1 . . . . 46 THR C . 17357 1 331 . 1 1 46 46 THR CA C 13 66.616 0.3 . 1 . . . . 46 THR CA . 17357 1 332 . 1 1 46 46 THR CB C 13 67.930 0.3 . 1 . . . . 46 THR CB . 17357 1 333 . 1 1 46 46 THR CG2 C 13 22.274 0.3 . 1 . . . . 46 THR CG2 . 17357 1 334 . 1 1 46 46 THR N N 15 113.415 0.3 . 1 . . . . 46 THR N . 17357 1 335 . 1 1 47 47 GLU H H 1 7.770 0.020 . 1 . . . . 47 GLU H . 17357 1 336 . 1 1 47 47 GLU HA H 1 4.141 0.020 . 1 . . . . 47 GLU HA . 17357 1 337 . 1 1 47 47 GLU HB2 H 1 2.062 0.020 . 1 . . . . 47 GLU HB2 . 17357 1 338 . 1 1 47 47 GLU HG2 H 1 2.390 0.020 . 2 . . . . 47 GLU HG2 . 17357 1 339 . 1 1 47 47 GLU HG3 H 1 2.244 0.020 . 2 . . . . 47 GLU HG3 . 17357 1 340 . 1 1 47 47 GLU C C 13 179.288 0.3 . 1 . . . . 47 GLU C . 17357 1 341 . 1 1 47 47 GLU CA C 13 59.383 0.3 . 1 . . . . 47 GLU CA . 17357 1 342 . 1 1 47 47 GLU CB C 13 30.312 0.3 . 1 . . . . 47 GLU CB . 17357 1 343 . 1 1 47 47 GLU CG C 13 37.314 0.3 . 1 . . . . 47 GLU CG . 17357 1 344 . 1 1 47 47 GLU N N 15 122.763 0.3 . 1 . . . . 47 GLU N . 17357 1 345 . 1 1 48 48 ALA H H 1 9.218 0.020 . 1 . . . . 48 ALA H . 17357 1 346 . 1 1 48 48 ALA HA H 1 3.992 0.020 . 1 . . . . 48 ALA HA . 17357 1 347 . 1 1 48 48 ALA HB1 H 1 1.439 0.020 . 1 . . . . 48 ALA HB . 17357 1 348 . 1 1 48 48 ALA HB2 H 1 1.439 0.020 . 1 . . . . 48 ALA HB . 17357 1 349 . 1 1 48 48 ALA HB3 H 1 1.439 0.020 . 1 . . . . 48 ALA HB . 17357 1 350 . 1 1 48 48 ALA C C 13 179.169 0.3 . 1 . . . . 48 ALA C . 17357 1 351 . 1 1 48 48 ALA CA C 13 55.240 0.3 . 1 . . . . 48 ALA CA . 17357 1 352 . 1 1 48 48 ALA CB C 13 18.059 0.3 . 1 . . . . 48 ALA CB . 17357 1 353 . 1 1 48 48 ALA N N 15 125.896 0.3 . 1 . . . . 48 ALA N . 17357 1 354 . 1 1 49 49 ALA H H 1 7.876 0.020 . 1 . . . . 49 ALA H . 17357 1 355 . 1 1 49 49 ALA HA H 1 3.842 0.020 . 1 . . . . 49 ALA HA . 17357 1 356 . 1 1 49 49 ALA HB1 H 1 1.539 0.020 . 1 . . . . 49 ALA HB . 17357 1 357 . 1 1 49 49 ALA HB2 H 1 1.539 0.020 . 1 . . . . 49 ALA HB . 17357 1 358 . 1 1 49 49 ALA HB3 H 1 1.539 0.020 . 1 . . . . 49 ALA HB . 17357 1 359 . 1 1 49 49 ALA C C 13 178.795 0.3 . 1 . . . . 49 ALA C . 17357 1 360 . 1 1 49 49 ALA CA C 13 55.169 0.3 . 1 . . . . 49 ALA CA . 17357 1 361 . 1 1 49 49 ALA CB C 13 17.858 0.3 . 1 . . . . 49 ALA CB . 17357 1 362 . 1 1 49 49 ALA N N 15 118.932 0.3 . 1 . . . . 49 ALA N . 17357 1 363 . 1 1 50 50 GLN H H 1 7.061 0.020 . 1 . . . . 50 GLN H . 17357 1 364 . 1 1 50 50 GLN CA C 13 58.353 0.3 . 1 . . . . 50 GLN CA . 17357 1 365 . 1 1 50 50 GLN CB C 13 27.846 0.3 . 1 . . . . 50 GLN CB . 17357 1 366 . 1 1 50 50 GLN N N 15 114.509 0.3 . 1 . . . . 50 GLN N . 17357 1 367 . 1 1 56 56 ALA H H 1 8.943 0.020 . 1 . . . . 56 ALA H . 17357 1 368 . 1 1 56 56 ALA HA H 1 3.979 0.020 . 1 . . . . 56 ALA HA . 17357 1 369 . 1 1 56 56 ALA HB1 H 1 1.502 0.020 . 1 . . . . 56 ALA HB . 17357 1 370 . 1 1 56 56 ALA HB2 H 1 1.502 0.020 . 1 . . . . 56 ALA HB . 17357 1 371 . 1 1 56 56 ALA HB3 H 1 1.502 0.020 . 1 . . . . 56 ALA HB . 17357 1 372 . 1 1 56 56 ALA C C 13 178.860 0.3 . 1 . . . . 56 ALA C . 17357 1 373 . 1 1 56 56 ALA CA C 13 55.360 0.3 . 1 . . . . 56 ALA CA . 17357 1 374 . 1 1 56 56 ALA CB C 13 17.853 0.3 . 1 . . . . 56 ALA CB . 17357 1 375 . 1 1 56 56 ALA N N 15 121.746 0.3 . 1 . . . . 56 ALA N . 17357 1 376 . 1 1 57 57 SER H H 1 7.899 0.020 . 1 . . . . 57 SER H . 17357 1 377 . 1 1 57 57 SER CA C 13 61.997 0.3 . 1 . . . . 57 SER CA . 17357 1 378 . 1 1 57 57 SER CB C 13 62.748 0.3 . 1 . . . . 57 SER CB . 17357 1 379 . 1 1 57 57 SER N N 15 113.536 0.3 . 1 . . . . 57 SER N . 17357 1 380 . 1 1 59 59 ILE HA H 1 3.773 0.020 . 1 . . . . 59 ILE HA . 17357 1 381 . 1 1 59 59 ILE HB H 1 2.174 0.020 . 1 . . . . 59 ILE HB . 17357 1 382 . 1 1 59 59 ILE HD11 H 1 0.769 0.020 . 1 . . . . 59 ILE HD1 . 17357 1 383 . 1 1 59 59 ILE HD12 H 1 0.769 0.020 . 1 . . . . 59 ILE HD1 . 17357 1 384 . 1 1 59 59 ILE HD13 H 1 0.769 0.020 . 1 . . . . 59 ILE HD1 . 17357 1 385 . 1 1 59 59 ILE C C 13 177.559 0.3 . 1 . . . . 59 ILE C . 17357 1 386 . 1 1 59 59 ILE CA C 13 65.463 0.3 . 1 . . . . 59 ILE CA . 17357 1 387 . 1 1 59 59 ILE CB C 13 36.571 0.3 . 1 . . . . 59 ILE CB . 17357 1 388 . 1 1 59 59 ILE CG2 C 13 16.944 0.3 . 1 . . . . 59 ILE CG2 . 17357 1 389 . 1 1 59 59 ILE CD1 C 13 13.708 0.3 . 1 . . . . 59 ILE CD1 . 17357 1 390 . 1 1 60 60 LEU H H 1 7.680 0.020 . 1 . . . . 60 LEU H . 17357 1 391 . 1 1 60 60 LEU HA H 1 4.179 0.020 . 1 . . . . 60 LEU HA . 17357 1 392 . 1 1 60 60 LEU HB2 H 1 2.137 0.020 . 2 . . . . 60 LEU HB2 . 17357 1 393 . 1 1 60 60 LEU HB3 H 1 1.626 0.020 . 2 . . . . 60 LEU HB3 . 17357 1 394 . 1 1 60 60 LEU HG H 1 1.502 0.020 . 1 . . . . 60 LEU HG . 17357 1 395 . 1 1 60 60 LEU C C 13 180.571 0.3 . 1 . . . . 60 LEU C . 17357 1 396 . 1 1 60 60 LEU CA C 13 57.838 0.3 . 1 . . . . 60 LEU CA . 17357 1 397 . 1 1 60 60 LEU CB C 13 40.440 0.3 . 1 . . . . 60 LEU CB . 17357 1 398 . 1 1 60 60 LEU CG C 13 27.795 0.3 . 1 . . . . 60 LEU CG . 17357 1 399 . 1 1 60 60 LEU CD1 C 13 24.464 0.3 . 1 . . . . 60 LEU CD1 . 17357 1 400 . 1 1 60 60 LEU N N 15 117.387 0.3 . 1 . . . . 60 LEU N . 17357 1 401 . 1 1 61 61 ASN H H 1 7.640 0.020 . 1 . . . . 61 ASN H . 17357 1 402 . 1 1 61 61 ASN HA H 1 4.876 0.020 . 1 . . . . 61 ASN HA . 17357 1 403 . 1 1 61 61 ASN HB2 H 1 2.983 0.020 . 1 . . . . 61 ASN HB2 . 17357 1 404 . 1 1 61 61 ASN C C 13 176.499 0.3 . 1 . . . . 61 ASN C . 17357 1 405 . 1 1 61 61 ASN CA C 13 53.993 0.3 . 1 . . . . 61 ASN CA . 17357 1 406 . 1 1 61 61 ASN CB C 13 38.238 0.3 . 1 . . . . 61 ASN CB . 17357 1 407 . 1 1 61 61 ASN N N 15 115.884 0.3 . 1 . . . . 61 ASN N . 17357 1 408 . 1 1 62 62 VAL H H 1 8.077 0.020 . 1 . . . . 62 VAL H . 17357 1 409 . 1 1 62 62 VAL HA H 1 4.453 0.020 . 1 . . . . 62 VAL HA . 17357 1 410 . 1 1 62 62 VAL HB H 1 2.871 0.020 . 1 . . . . 62 VAL HB . 17357 1 411 . 1 1 62 62 VAL C C 13 177.001 0.3 . 1 . . . . 62 VAL C . 17357 1 412 . 1 1 62 62 VAL CA C 13 63.249 0.3 . 1 . . . . 62 VAL CA . 17357 1 413 . 1 1 62 62 VAL CB C 13 31.789 0.3 . 1 . . . . 62 VAL CB . 17357 1 414 . 1 1 62 62 VAL CG1 C 13 18.372 0.3 . 1 . . . . 62 VAL CG1 . 17357 1 415 . 1 1 62 62 VAL CG2 C 13 20.561 0.3 . 1 . . . . 62 VAL CG2 . 17357 1 416 . 1 1 62 62 VAL N N 15 113.212 0.3 . 1 . . . . 62 VAL N . 17357 1 417 . 1 1 63 63 LYS H H 1 7.060 0.020 . 1 . . . . 63 LYS H . 17357 1 418 . 1 1 63 63 LYS HA H 1 4.179 0.020 . 1 . . . . 63 LYS HA . 17357 1 419 . 1 1 63 63 LYS HB2 H 1 1.676 0.020 . 2 . . . . 63 LYS HB2 . 17357 1 420 . 1 1 63 63 LYS HB3 H 1 1.489 0.020 . 2 . . . . 63 LYS HB3 . 17357 1 421 . 1 1 63 63 LYS HE2 H 1 2.925 0.020 . 1 . . . . 63 LYS HE2 . 17357 1 422 . 1 1 63 63 LYS C C 13 177.215 0.3 . 1 . . . . 63 LYS C . 17357 1 423 . 1 1 63 63 LYS CA C 13 58.806 0.3 . 1 . . . . 63 LYS CA . 17357 1 424 . 1 1 63 63 LYS CB C 13 31.534 0.3 . 1 . . . . 63 LYS CB . 17357 1 425 . 1 1 63 63 LYS CG C 13 24.464 0.3 . 1 . . . . 63 LYS CG . 17357 1 426 . 1 1 63 63 LYS N N 15 122.829 0.3 . 1 . . . . 63 LYS N . 17357 1 427 . 1 1 64 64 GLN H H 1 7.633 0.020 . 1 . . . . 64 GLN H . 17357 1 428 . 1 1 64 64 GLN HA H 1 4.067 0.020 . 1 . . . . 64 GLN HA . 17357 1 429 . 1 1 64 64 GLN HB2 H 1 1.788 0.020 . 1 . . . . 64 GLN HB2 . 17357 1 430 . 1 1 64 64 GLN C C 13 177.275 0.3 . 1 . . . . 64 GLN C . 17357 1 431 . 1 1 64 64 GLN CA C 13 58.164 0.3 . 1 . . . . 64 GLN CA . 17357 1 432 . 1 1 64 64 GLN CB C 13 27.257 0.3 . 1 . . . . 64 GLN CB . 17357 1 433 . 1 1 64 64 GLN CG C 13 31.888 0.3 . 1 . . . . 64 GLN CG . 17357 1 434 . 1 1 64 64 GLN N N 15 115.109 0.3 . 1 . . . . 64 GLN N . 17357 1 435 . 1 1 65 65 PHE H H 1 7.171 0.020 . 1 . . . . 65 PHE H . 17357 1 436 . 1 1 65 65 PHE HA H 1 4.316 0.020 . 1 . . . . 65 PHE HA . 17357 1 437 . 1 1 65 65 PHE HB2 H 1 3.376 0.020 . 2 . . . . 65 PHE HB2 . 17357 1 438 . 1 1 65 65 PHE HB3 H 1 2.871 0.020 . 2 . . . . 65 PHE HB3 . 17357 1 439 . 1 1 65 65 PHE C C 13 177.929 0.3 . 1 . . . . 65 PHE C . 17357 1 440 . 1 1 65 65 PHE CA C 13 59.023 0.3 . 1 . . . . 65 PHE CA . 17357 1 441 . 1 1 65 65 PHE CB C 13 39.134 0.3 . 1 . . . . 65 PHE CB . 17357 1 442 . 1 1 65 65 PHE N N 15 117.172 0.3 . 1 . . . . 65 PHE N . 17357 1 443 . 1 1 66 66 ILE H H 1 7.381 0.020 . 1 . . . . 66 ILE H . 17357 1 444 . 1 1 66 66 ILE C C 13 174.811 0.3 . 1 . . . . 66 ILE C . 17357 1 445 . 1 1 66 66 ILE CA C 13 65.473 0.3 . 1 . . . . 66 ILE CA . 17357 1 446 . 1 1 66 66 ILE CB C 13 37.571 0.3 . 1 . . . . 66 ILE CB . 17357 1 447 . 1 1 66 66 ILE N N 15 120.163 0.3 . 1 . . . . 66 ILE N . 17357 1 448 . 1 1 68 68 ARG H H 1 6.878 0.020 . 1 . . . . 68 ARG H . 17357 1 449 . 1 1 68 68 ARG HA H 1 4.266 0.020 . 1 . . . . 68 ARG HA . 17357 1 450 . 1 1 68 68 ARG HB2 H 1 1.925 0.020 . 2 . . . . 68 ARG HB2 . 17357 1 451 . 1 1 68 68 ARG HB3 H 1 1.564 0.020 . 2 . . . . 68 ARG HB3 . 17357 1 452 . 1 1 68 68 ARG HD2 H 1 3.120 0.020 . 1 . . . . 68 ARG HD2 . 17357 1 453 . 1 1 68 68 ARG C C 13 174.692 0.3 . 1 . . . . 68 ARG C . 17357 1 454 . 1 1 68 68 ARG CA C 13 55.516 0.3 . 1 . . . . 68 ARG CA . 17357 1 455 . 1 1 68 68 ARG CB C 13 30.934 0.3 . 1 . . . . 68 ARG CB . 17357 1 456 . 1 1 68 68 ARG CG C 13 25.316 0.3 . 1 . . . . 68 ARG CG . 17357 1 457 . 1 1 68 68 ARG N N 15 113.972 0.3 . 1 . . . . 68 ARG N . 17357 1 458 . 1 1 69 69 LYS H H 1 7.567 0.020 . 1 . . . . 69 LYS H . 17357 1 459 . 1 1 69 69 LYS HA H 1 4.092 0.020 . 1 . . . . 69 LYS HA . 17357 1 460 . 1 1 69 69 LYS HB2 H 1 2.000 0.020 . 2 . . . . 69 LYS HB2 . 17357 1 461 . 1 1 69 69 LYS HB3 H 1 1.713 0.020 . 2 . . . . 69 LYS HB3 . 17357 1 462 . 1 1 69 69 LYS C C 13 174.137 0.3 . 1 . . . . 69 LYS C . 17357 1 463 . 1 1 69 69 LYS CA C 13 56.617 0.3 . 1 . . . . 69 LYS CA . 17357 1 464 . 1 1 69 69 LYS CB C 13 28.524 0.3 . 1 . . . . 69 LYS CB . 17357 1 465 . 1 1 69 69 LYS CG C 13 25.606 0.3 . 1 . . . . 69 LYS CG . 17357 1 466 . 1 1 69 69 LYS N N 15 118.903 0.3 . 1 . . . . 69 LYS N . 17357 1 467 . 1 1 70 70 ALA H H 1 8.003 0.020 . 1 . . . . 70 ALA H . 17357 1 468 . 1 1 70 70 ALA HA H 1 4.565 0.020 . 1 . . . . 70 ALA HA . 17357 1 469 . 1 1 70 70 ALA HB1 H 1 1.265 0.020 . 1 . . . . 70 ALA HB . 17357 1 470 . 1 1 70 70 ALA HB2 H 1 1.265 0.020 . 1 . . . . 70 ALA HB . 17357 1 471 . 1 1 70 70 ALA HB3 H 1 1.265 0.020 . 1 . . . . 70 ALA HB . 17357 1 472 . 1 1 70 70 ALA C C 13 177.429 0.3 . 1 . . . . 70 ALA C . 17357 1 473 . 1 1 70 70 ALA CA C 13 48.884 0.3 . 1 . . . . 70 ALA CA . 17357 1 474 . 1 1 70 70 ALA CB C 13 17.392 0.3 . 1 . . . . 70 ALA CB . 17357 1 475 . 1 1 70 70 ALA N N 15 122.931 0.3 . 1 . . . . 70 ALA N . 17357 1 476 . 1 1 71 71 TRP H H 1 7.032 0.020 . 1 . . . . 71 TRP H . 17357 1 477 . 1 1 71 71 TRP C C 13 175.088 0.3 . 1 . . . . 71 TRP C . 17357 1 478 . 1 1 71 71 TRP CA C 13 60.303 0.3 . 1 . . . . 71 TRP CA . 17357 1 479 . 1 1 71 71 TRP CB C 13 27.607 0.3 . 1 . . . . 71 TRP CB . 17357 1 480 . 1 1 71 71 TRP N N 15 119.538 0.3 . 1 . . . . 71 TRP N . 17357 1 481 . 1 1 72 72 PRO C C 13 179.767 0.3 . 1 . . . . 72 PRO C . 17357 1 482 . 1 1 72 72 PRO CA C 13 65.943 0.3 . 1 . . . . 72 PRO CA . 17357 1 483 . 1 1 72 72 PRO CB C 13 29.987 0.3 . 1 . . . . 72 PRO CB . 17357 1 484 . 1 1 72 72 PRO N N 15 136.568 0.3 . 1 . . . . 72 PRO N . 17357 1 485 . 1 1 80 80 LEU HA H 1 3.905 0.020 . 1 . . . . 80 LEU HA . 17357 1 486 . 1 1 80 80 LEU HB2 H 1 1.701 0.020 . 1 . . . . 80 LEU HB2 . 17357 1 487 . 1 1 80 80 LEU HG H 1 1.414 0.020 . 1 . . . . 80 LEU HG . 17357 1 488 . 1 1 80 80 LEU HD11 H 1 0.742 0.020 . 1 . . . . 80 LEU HD1 . 17357 1 489 . 1 1 80 80 LEU HD12 H 1 0.742 0.020 . 1 . . . . 80 LEU HD1 . 17357 1 490 . 1 1 80 80 LEU HD13 H 1 0.742 0.020 . 1 . . . . 80 LEU HD1 . 17357 1 491 . 1 1 80 80 LEU HD21 H 1 1.078 0.020 . 1 . . . . 80 LEU HD2 . 17357 1 492 . 1 1 80 80 LEU HD22 H 1 1.078 0.020 . 1 . . . . 80 LEU HD2 . 17357 1 493 . 1 1 80 80 LEU HD23 H 1 1.078 0.020 . 1 . . . . 80 LEU HD2 . 17357 1 494 . 1 1 80 80 LEU C C 13 178.632 0.3 . 1 . . . . 80 LEU C . 17357 1 495 . 1 1 80 80 LEU CA C 13 58.168 0.3 . 1 . . . . 80 LEU CA . 17357 1 496 . 1 1 80 80 LEU CB C 13 42.335 0.3 . 1 . . . . 80 LEU CB . 17357 1 497 . 1 1 80 80 LEU CG C 13 26.748 0.3 . 1 . . . . 80 LEU CG . 17357 1 498 . 1 1 80 80 LEU CD1 C 13 25.035 0.3 . 1 . . . . 80 LEU CD1 . 17357 1 499 . 1 1 81 81 ARG H H 1 8.386 0.020 . 1 . . . . 81 ARG H . 17357 1 500 . 1 1 81 81 ARG HA H 1 3.905 0.020 . 1 . . . . 81 ARG HA . 17357 1 501 . 1 1 81 81 ARG HB2 H 1 1.913 0.020 . 1 . . . . 81 ARG HB2 . 17357 1 502 . 1 1 81 81 ARG HD2 H 1 2.949 0.020 . 1 . . . . 81 ARG HD2 . 17357 1 503 . 1 1 81 81 ARG C C 13 179.411 0.3 . 1 . . . . 81 ARG C . 17357 1 504 . 1 1 81 81 ARG CA C 13 57.832 0.3 . 1 . . . . 81 ARG CA . 17357 1 505 . 1 1 81 81 ARG CB C 13 29.602 0.3 . 1 . . . . 81 ARG CB . 17357 1 506 . 1 1 81 81 ARG CG C 13 26.367 0.3 . 1 . . . . 81 ARG CG . 17357 1 507 . 1 1 81 81 ARG N N 15 115.127 0.3 . 1 . . . . 81 ARG N . 17357 1 508 . 1 1 82 82 ALA H H 1 9.140 0.020 . 1 . . . . 82 ALA H . 17357 1 509 . 1 1 82 82 ALA HA H 1 4.166 0.020 . 1 . . . . 82 ALA HA . 17357 1 510 . 1 1 82 82 ALA HB1 H 1 1.664 0.020 . 1 . . . . 82 ALA HB . 17357 1 511 . 1 1 82 82 ALA HB2 H 1 1.664 0.020 . 1 . . . . 82 ALA HB . 17357 1 512 . 1 1 82 82 ALA HB3 H 1 1.664 0.020 . 1 . . . . 82 ALA HB . 17357 1 513 . 1 1 82 82 ALA C C 13 179.414 0.3 . 1 . . . . 82 ALA C . 17357 1 514 . 1 1 82 82 ALA CA C 13 55.645 0.3 . 1 . . . . 82 ALA CA . 17357 1 515 . 1 1 82 82 ALA CB C 13 18.863 0.3 . 1 . . . . 82 ALA CB . 17357 1 516 . 1 1 82 82 ALA N N 15 119.805 0.3 . 1 . . . . 82 ALA N . 17357 1 517 . 1 1 83 83 SER H H 1 7.751 0.020 . 1 . . . . 83 SER H . 17357 1 518 . 1 1 83 83 SER CA C 13 61.830 0.3 . 1 . . . . 83 SER CA . 17357 1 519 . 1 1 83 83 SER CB C 13 62.762 0.3 . 1 . . . . 83 SER CB . 17357 1 520 . 1 1 83 83 SER N N 15 114.702 0.3 . 1 . . . . 83 SER N . 17357 1 521 . 1 1 85 85 LEU H H 1 7.810 0.020 . 1 . . . . 85 LEU H . 17357 1 522 . 1 1 85 85 LEU HA H 1 3.780 0.020 . 1 . . . . 85 LEU HA . 17357 1 523 . 1 1 85 85 LEU HB2 H 1 2.311 0.020 . 2 . . . . 85 LEU HB2 . 17357 1 524 . 1 1 85 85 LEU HB3 H 1 1.564 0.020 . 2 . . . . 85 LEU HB3 . 17357 1 525 . 1 1 85 85 LEU C C 13 177.337 0.3 . 1 . . . . 85 LEU C . 17357 1 526 . 1 1 85 85 LEU CA C 13 58.902 0.3 . 1 . . . . 85 LEU CA . 17357 1 527 . 1 1 85 85 LEU CB C 13 41.570 0.3 . 1 . . . . 85 LEU CB . 17357 1 528 . 1 1 85 85 LEU CG C 13 28.366 0.3 . 1 . . . . 85 LEU CG . 17357 1 529 . 1 1 85 85 LEU CD1 C 13 25.891 0.3 . 1 . . . . 85 LEU CD1 . 17357 1 530 . 1 1 85 85 LEU N N 15 121.817 0.3 . 1 . . . . 85 LEU N . 17357 1 531 . 1 1 86 86 ARG H H 1 8.088 0.020 . 1 . . . . 86 ARG H . 17357 1 532 . 1 1 86 86 ARG HA H 1 3.793 0.020 . 1 . . . . 86 ARG HA . 17357 1 533 . 1 1 86 86 ARG HB2 H 1 2.174 0.020 . 2 . . . . 86 ARG HB2 . 17357 1 534 . 1 1 86 86 ARG HB3 H 1 1.950 0.020 . 2 . . . . 86 ARG HB3 . 17357 1 535 . 1 1 86 86 ARG HD2 H 1 2.523 0.020 . 1 . . . . 86 ARG HD2 . 17357 1 536 . 1 1 86 86 ARG C C 13 178.060 0.3 . 1 . . . . 86 ARG C . 17357 1 537 . 1 1 86 86 ARG CA C 13 60.341 0.3 . 1 . . . . 86 ARG CA . 17357 1 538 . 1 1 86 86 ARG CB C 13 29.952 0.3 . 1 . . . . 86 ARG CB . 17357 1 539 . 1 1 86 86 ARG N N 15 115.425 0.3 . 1 . . . . 86 ARG N . 17357 1 540 . 1 1 87 87 TYR H H 1 8.164 0.020 . 1 . . . . 87 TYR H . 17357 1 541 . 1 1 87 87 TYR HA H 1 4.341 0.020 . 1 . . . . 87 TYR HA . 17357 1 542 . 1 1 87 87 TYR HB2 H 1 2.909 0.020 . 2 . . . . 87 TYR HB2 . 17357 1 543 . 1 1 87 87 TYR HB3 H 1 2.734 0.020 . 2 . . . . 87 TYR HB3 . 17357 1 544 . 1 1 87 87 TYR C C 13 177.599 0.3 . 1 . . . . 87 TYR C . 17357 1 545 . 1 1 87 87 TYR CA C 13 56.311 0.3 . 1 . . . . 87 TYR CA . 17357 1 546 . 1 1 87 87 TYR CB C 13 38.537 0.3 . 1 . . . . 87 TYR CB . 17357 1 547 . 1 1 87 87 TYR N N 15 115.945 0.3 . 1 . . . . 87 TYR N . 17357 1 548 . 1 1 88 88 ASP H H 1 8.021 0.020 . 1 . . . . 88 ASP H . 17357 1 549 . 1 1 88 88 ASP HA H 1 4.440 0.020 . 1 . . . . 88 ASP HA . 17357 1 550 . 1 1 88 88 ASP HB2 H 1 2.841 0.020 . 2 . . . . 88 ASP HB2 . 17357 1 551 . 1 1 88 88 ASP HB3 H 1 2.572 0.020 . 2 . . . . 88 ASP HB3 . 17357 1 552 . 1 1 88 88 ASP C C 13 178.265 0.3 . 1 . . . . 88 ASP C . 17357 1 553 . 1 1 88 88 ASP CA C 13 57.924 0.3 . 1 . . . . 88 ASP CA . 17357 1 554 . 1 1 88 88 ASP CB C 13 42.257 0.3 . 1 . . . . 88 ASP CB . 17357 1 555 . 1 1 88 88 ASP N N 15 120.649 0.3 . 1 . . . . 88 ASP N . 17357 1 556 . 1 1 89 89 LEU H H 1 8.665 0.020 . 1 . . . . 89 LEU H . 17357 1 557 . 1 1 89 89 LEU HA H 1 3.979 0.020 . 1 . . . . 89 LEU HA . 17357 1 558 . 1 1 89 89 LEU HB2 H 1 2.037 0.020 . 2 . . . . 89 LEU HB2 . 17357 1 559 . 1 1 89 89 LEU HB3 H 1 1.726 0.020 . 2 . . . . 89 LEU HB3 . 17357 1 560 . 1 1 89 89 LEU HG H 1 1.437 0.020 . 1 . . . . 89 LEU HG . 17357 1 561 . 1 1 89 89 LEU HD11 H 1 1.016 0.020 . 1 . . . . 89 LEU HD1 . 17357 1 562 . 1 1 89 89 LEU HD12 H 1 1.016 0.020 . 1 . . . . 89 LEU HD1 . 17357 1 563 . 1 1 89 89 LEU HD13 H 1 1.016 0.020 . 1 . . . . 89 LEU HD1 . 17357 1 564 . 1 1 89 89 LEU C C 13 178.075 0.3 . 1 . . . . 89 LEU C . 17357 1 565 . 1 1 89 89 LEU CA C 13 58.307 0.3 . 1 . . . . 89 LEU CA . 17357 1 566 . 1 1 89 89 LEU CB C 13 43.195 0.3 . 1 . . . . 89 LEU CB . 17357 1 567 . 1 1 89 89 LEU CD1 C 13 26.272 0.3 . 1 . . . . 89 LEU CD1 . 17357 1 568 . 1 1 89 89 LEU N N 15 118.115 0.3 . 1 . . . . 89 LEU N . 17357 1 569 . 1 1 90 90 LYS H H 1 8.002 0.020 . 1 . . . . 90 LYS H . 17357 1 570 . 1 1 90 90 LYS C C 13 179.669 0.3 . 1 . . . . 90 LYS C . 17357 1 571 . 1 1 90 90 LYS CA C 13 59.394 0.3 . 1 . . . . 90 LYS CA . 17357 1 572 . 1 1 90 90 LYS CB C 13 30.046 0.3 . 1 . . . . 90 LYS CB . 17357 1 573 . 1 1 90 90 LYS N N 15 115.802 0.3 . 1 . . . . 90 LYS N . 17357 1 574 . 1 1 91 91 THR C C 13 173.861 0.3 . 1 . . . . 91 THR C . 17357 1 575 . 1 1 91 91 THR CA C 13 61.884 0.3 . 1 . . . . 91 THR CA . 17357 1 576 . 1 1 91 91 THR CB C 13 70.081 0.3 . 1 . . . . 91 THR CB . 17357 1 577 . 1 1 91 91 THR N N 15 116.827 0.3 . 1 . . . . 91 THR N . 17357 1 578 . 1 1 94 94 SER H H 1 7.757 0.020 . 1 . . . . 94 SER H . 17357 1 579 . 1 1 94 94 SER HA H 1 4.079 0.020 . 1 . . . . 94 SER HA . 17357 1 580 . 1 1 94 94 SER C C 13 174.264 0.3 . 1 . . . . 94 SER C . 17357 1 581 . 1 1 94 94 SER CA C 13 61.437 0.3 . 1 . . . . 94 SER CA . 17357 1 582 . 1 1 94 94 SER CB C 13 62.964 0.3 . 1 . . . . 94 SER CB . 17357 1 583 . 1 1 94 94 SER N N 15 112.225 0.3 . 1 . . . . 94 SER N . 17357 1 584 . 1 1 95 95 ALA H H 1 7.143 0.020 . 1 . . . . 95 ALA H . 17357 1 585 . 1 1 95 95 ALA HA H 1 4.540 0.020 . 1 . . . . 95 ALA HA . 17357 1 586 . 1 1 95 95 ALA HB1 H 1 1.527 0.020 . 1 . . . . 95 ALA HB . 17357 1 587 . 1 1 95 95 ALA HB2 H 1 1.527 0.020 . 1 . . . . 95 ALA HB . 17357 1 588 . 1 1 95 95 ALA HB3 H 1 1.527 0.020 . 1 . . . . 95 ALA HB . 17357 1 589 . 1 1 95 95 ALA C C 13 177.789 0.3 . 1 . . . . 95 ALA C . 17357 1 590 . 1 1 95 95 ALA CA C 13 51.437 0.3 . 1 . . . . 95 ALA CA . 17357 1 591 . 1 1 95 95 ALA CB C 13 19.719 0.3 . 1 . . . . 95 ALA CB . 17357 1 592 . 1 1 95 95 ALA N N 15 120.912 0.3 . 1 . . . . 95 ALA N . 17357 1 593 . 1 1 96 96 LYS H H 1 7.439 0.020 . 1 . . . . 96 LYS H . 17357 1 594 . 1 1 96 96 LYS C C 13 174.077 0.3 . 1 . . . . 96 LYS C . 17357 1 595 . 1 1 96 96 LYS CA C 13 53.269 0.3 . 1 . . . . 96 LYS CA . 17357 1 596 . 1 1 96 96 LYS CB C 13 32.074 0.3 . 1 . . . . 96 LYS CB . 17357 1 597 . 1 1 96 96 LYS N N 15 120.570 0.3 . 1 . . . . 96 LYS N . 17357 1 598 . 1 1 100 100 GLU HA H 1 4.515 0.020 . 1 . . . . 100 GLU HA . 17357 1 599 . 1 1 100 100 GLU HB2 H 1 2.398 0.020 . 2 . . . . 100 GLU HB2 . 17357 1 600 . 1 1 100 100 GLU HB3 H 1 2.087 0.020 . 2 . . . . 100 GLU HB3 . 17357 1 601 . 1 1 100 100 GLU C C 13 177.275 0.3 . 1 . . . . 100 GLU C . 17357 1 602 . 1 1 100 100 GLU CA C 13 62.501 0.3 . 1 . . . . 100 GLU CA . 17357 1 603 . 1 1 100 100 GLU CB C 13 32.563 0.3 . 1 . . . . 100 GLU CB . 17357 1 604 . 1 1 100 100 GLU CG C 13 37.409 0.3 . 1 . . . . 100 GLU CG . 17357 1 605 . 1 1 101 101 LYS H H 1 8.643 0.020 . 1 . . . . 101 LYS H . 17357 1 606 . 1 1 101 101 LYS HA H 1 3.764 0.020 . 1 . . . . 101 LYS HA . 17357 1 607 . 1 1 101 101 LYS HB2 H 1 1.639 0.020 . 1 . . . . 101 LYS HB2 . 17357 1 608 . 1 1 101 101 LYS HG2 H 1 1.315 0.020 . 1 . . . . 101 LYS HG2 . 17357 1 609 . 1 1 101 101 LYS HE2 H 1 3.245 0.020 . 2 . . . . 101 LYS HE2 . 17357 1 610 . 1 1 101 101 LYS HE3 H 1 3.021 0.020 . 2 . . . . 101 LYS HE3 . 17357 1 611 . 1 1 101 101 LYS C C 13 178.250 0.3 . 1 . . . . 101 LYS C . 17357 1 612 . 1 1 101 101 LYS CA C 13 60.833 0.3 . 1 . . . . 101 LYS CA . 17357 1 613 . 1 1 101 101 LYS CB C 13 32.886 0.3 . 1 . . . . 101 LYS CB . 17357 1 614 . 1 1 101 101 LYS CG C 13 24.464 0.3 . 1 . . . . 101 LYS CG . 17357 1 615 . 1 1 101 101 LYS N N 15 120.567 0.3 . 1 . . . . 101 LYS N . 17357 1 616 . 1 1 102 102 LYS H H 1 7.861 0.020 . 1 . . . . 102 LYS H . 17357 1 617 . 1 1 102 102 LYS HA H 1 4.017 0.020 . 1 . . . . 102 LYS HA . 17357 1 618 . 1 1 102 102 LYS HB2 H 1 1.913 0.020 . 1 . . . . 102 LYS HB2 . 17357 1 619 . 1 1 102 102 LYS HG2 H 1 1.514 0.020 . 1 . . . . 102 LYS HG2 . 17357 1 620 . 1 1 102 102 LYS HD2 H 1 1.710 0.020 . 1 . . . . 102 LYS HD2 . 17357 1 621 . 1 1 102 102 LYS HE2 H 1 2.978 0.020 . 1 . . . . 102 LYS HE2 . 17357 1 622 . 1 1 102 102 LYS C C 13 179.027 0.3 . 1 . . . . 102 LYS C . 17357 1 623 . 1 1 102 102 LYS CA C 13 59.623 0.3 . 1 . . . . 102 LYS CA . 17357 1 624 . 1 1 102 102 LYS CB C 13 32.220 0.3 . 1 . . . . 102 LYS CB . 17357 1 625 . 1 1 102 102 LYS CG C 13 24.749 0.3 . 1 . . . . 102 LYS CG . 17357 1 626 . 1 1 102 102 LYS N N 15 118.087 0.3 . 1 . . . . 102 LYS N . 17357 1 627 . 1 1 103 103 SER H H 1 7.995 0.020 . 1 . . . . 103 SER H . 17357 1 628 . 1 1 103 103 SER HA H 1 4.278 0.020 . 1 . . . . 103 SER HA . 17357 1 629 . 1 1 103 103 SER HB2 H 1 3.955 0.020 . 1 . . . . 103 SER HB2 . 17357 1 630 . 1 1 103 103 SER C C 13 177.670 0.3 . 1 . . . . 103 SER C . 17357 1 631 . 1 1 103 103 SER CA C 13 61.357 0.3 . 1 . . . . 103 SER CA . 17357 1 632 . 1 1 103 103 SER CB C 13 62.570 0.3 . 1 . . . . 103 SER CB . 17357 1 633 . 1 1 103 103 SER N N 15 113.241 0.3 . 1 . . . . 103 SER N . 17357 1 634 . 1 1 104 104 LEU H H 1 8.066 0.020 . 1 . . . . 104 LEU H . 17357 1 635 . 1 1 104 104 LEU HA H 1 4.216 0.020 . 1 . . . . 104 LEU HA . 17357 1 636 . 1 1 104 104 LEU HB2 H 1 1.863 0.020 . 2 . . . . 104 LEU HB2 . 17357 1 637 . 1 1 104 104 LEU HB3 H 1 1.576 0.020 . 2 . . . . 104 LEU HB3 . 17357 1 638 . 1 1 104 104 LEU HG H 1 1.701 0.020 . 1 . . . . 104 LEU HG . 17357 1 639 . 1 1 104 104 LEU HD11 H 1 0.938 0.020 . 1 . . . . 104 LEU HD1 . 17357 1 640 . 1 1 104 104 LEU HD12 H 1 0.938 0.020 . 1 . . . . 104 LEU HD1 . 17357 1 641 . 1 1 104 104 LEU HD13 H 1 0.938 0.020 . 1 . . . . 104 LEU HD1 . 17357 1 642 . 1 1 104 104 LEU HD21 H 1 0.821 0.020 . 1 . . . . 104 LEU HD2 . 17357 1 643 . 1 1 104 104 LEU HD22 H 1 0.821 0.020 . 1 . . . . 104 LEU HD2 . 17357 1 644 . 1 1 104 104 LEU HD23 H 1 0.821 0.020 . 1 . . . . 104 LEU HD2 . 17357 1 645 . 1 1 104 104 LEU C C 13 179.883 0.3 . 1 . . . . 104 LEU C . 17357 1 646 . 1 1 104 104 LEU CA C 13 57.785 0.3 . 1 . . . . 104 LEU CA . 17357 1 647 . 1 1 104 104 LEU CB C 13 41.833 0.3 . 1 . . . . 104 LEU CB . 17357 1 648 . 1 1 104 104 LEU CG C 13 27.414 0.3 . 1 . . . . 104 LEU CG . 17357 1 649 . 1 1 104 104 LEU CD1 C 13 25.130 0.3 . 1 . . . . 104 LEU CD1 . 17357 1 650 . 1 1 104 104 LEU N N 15 121.281 0.3 . 1 . . . . 104 LEU N . 17357 1 651 . 1 1 105 105 GLN H H 1 8.965 0.020 . 1 . . . . 105 GLN H . 17357 1 652 . 1 1 105 105 GLN C C 13 178.833 0.3 . 1 . . . . 105 GLN C . 17357 1 653 . 1 1 105 105 GLN CA C 13 59.499 0.3 . 1 . . . . 105 GLN CA . 17357 1 654 . 1 1 105 105 GLN CB C 13 28.333 0.3 . 1 . . . . 105 GLN CB . 17357 1 655 . 1 1 105 105 GLN N N 15 122.396 0.3 . 1 . . . . 105 GLN N . 17357 1 656 . 1 1 106 106 GLU HA H 1 4.119 0.020 . 1 . . . . 106 GLU HA . 17357 1 657 . 1 1 106 106 GLU HB2 H 1 2.174 0.020 . 1 . . . . 106 GLU HB2 . 17357 1 658 . 1 1 106 106 GLU HG2 H 1 2.261 0.020 . 1 . . . . 106 GLU HG2 . 17357 1 659 . 1 1 106 106 GLU HG3 H 1 2.506 0.020 . 2 . . . . 106 GLU HG3 . 17357 1 660 . 1 1 106 106 GLU C C 13 179.692 0.3 . 1 . . . . 106 GLU C . 17357 1 661 . 1 1 106 106 GLU CA C 13 59.624 0.3 . 1 . . . . 106 GLU CA . 17357 1 662 . 1 1 106 106 GLU CB C 13 29.136 0.3 . 1 . . . . 106 GLU CB . 17357 1 663 . 1 1 106 106 GLU CG C 13 36.648 0.3 . 1 . . . . 106 GLU CG . 17357 1 664 . 1 1 106 106 GLU N N 15 120.659 0.3 . 1 . . . . 106 GLU N . 17357 1 665 . 1 1 107 107 LEU H H 1 7.933 0.020 . 1 . . . . 107 LEU H . 17357 1 666 . 1 1 107 107 LEU HA H 1 4.116 0.020 . 1 . . . . 107 LEU HA . 17357 1 667 . 1 1 107 107 LEU HB2 H 1 1.900 0.020 . 2 . . . . 107 LEU HB2 . 17357 1 668 . 1 1 107 107 LEU HB3 H 1 1.589 0.020 . 2 . . . . 107 LEU HB3 . 17357 1 669 . 1 1 107 107 LEU HD11 H 1 0.865 0.020 . 1 . . . . 107 LEU HD1 . 17357 1 670 . 1 1 107 107 LEU HD12 H 1 0.865 0.020 . 1 . . . . 107 LEU HD1 . 17357 1 671 . 1 1 107 107 LEU HD13 H 1 0.865 0.020 . 1 . . . . 107 LEU HD1 . 17357 1 672 . 1 1 107 107 LEU C C 13 179.661 0.3 . 1 . . . . 107 LEU C . 17357 1 673 . 1 1 107 107 LEU CA C 13 57.664 0.3 . 1 . . . . 107 LEU CA . 17357 1 674 . 1 1 107 107 LEU CB C 13 42.523 0.3 . 1 . . . . 107 LEU CB . 17357 1 675 . 1 1 107 107 LEU CG C 13 26.843 0.3 . 1 . . . . 107 LEU CG . 17357 1 676 . 1 1 107 107 LEU CD1 C 13 24.940 0.3 . 1 . . . . 107 LEU CD1 . 17357 1 677 . 1 1 107 107 LEU N N 15 119.770 0.3 . 1 . . . . 107 LEU N . 17357 1 678 . 1 1 108 108 THR H H 1 8.647 0.020 . 1 . . . . 108 THR H . 17357 1 679 . 1 1 108 108 THR CA C 13 67.339 0.3 . 1 . . . . 108 THR CA . 17357 1 680 . 1 1 108 108 THR CB C 13 68.090 0.3 . 1 . . . . 108 THR CB . 17357 1 681 . 1 1 108 108 THR N N 15 115.384 0.3 . 1 . . . . 108 THR N . 17357 1 682 . 1 1 111 111 LEU H H 1 7.943 0.020 . 1 . . . . 111 LEU H . 17357 1 683 . 1 1 111 111 LEU HA H 1 4.092 0.020 . 1 . . . . 111 LEU HA . 17357 1 684 . 1 1 111 111 LEU HB2 H 1 2.074 0.020 . 2 . . . . 111 LEU HB2 . 17357 1 685 . 1 1 111 111 LEU HB3 H 1 1.215 0.020 . 2 . . . . 111 LEU HB3 . 17357 1 686 . 1 1 111 111 LEU HG H 1 1.730 0.020 . 1 . . . . 111 LEU HG . 17357 1 687 . 1 1 111 111 LEU HD11 H 1 0.560 0.020 . 1 . . . . 111 LEU HD1 . 17357 1 688 . 1 1 111 111 LEU HD12 H 1 0.560 0.020 . 1 . . . . 111 LEU HD1 . 17357 1 689 . 1 1 111 111 LEU HD13 H 1 0.560 0.020 . 1 . . . . 111 LEU HD1 . 17357 1 690 . 1 1 111 111 LEU C C 13 177.917 0.3 . 1 . . . . 111 LEU C . 17357 1 691 . 1 1 111 111 LEU CA C 13 57.832 0.3 . 1 . . . . 111 LEU CA . 17357 1 692 . 1 1 111 111 LEU CB C 13 41.009 0.3 . 1 . . . . 111 LEU CB . 17357 1 693 . 1 1 111 111 LEU CG C 13 26.939 0.3 . 1 . . . . 111 LEU CG . 17357 1 694 . 1 1 111 111 LEU CD1 C 13 24.940 0.3 . 1 . . . . 111 LEU CD1 . 17357 1 695 . 1 1 111 111 LEU N N 15 120.455 0.3 . 1 . . . . 111 LEU N . 17357 1 696 . 1 1 112 112 PHE H H 1 8.697 0.020 . 1 . . . . 112 PHE H . 17357 1 697 . 1 1 112 112 PHE HA H 1 4.278 0.020 . 1 . . . . 112 PHE HA . 17357 1 698 . 1 1 112 112 PHE HB2 H 1 3.350 0.020 . 2 . . . . 112 PHE HB2 . 17357 1 699 . 1 1 112 112 PHE HB3 H 1 3.021 0.020 . 2 . . . . 112 PHE HB3 . 17357 1 700 . 1 1 112 112 PHE C C 13 177.965 0.3 . 1 . . . . 112 PHE C . 17357 1 701 . 1 1 112 112 PHE CA C 13 62.679 0.3 . 1 . . . . 112 PHE CA . 17357 1 702 . 1 1 112 112 PHE CB C 13 37.302 0.3 . 1 . . . . 112 PHE CB . 17357 1 703 . 1 1 112 112 PHE N N 15 116.713 0.3 . 1 . . . . 112 PHE N . 17357 1 704 . 1 1 113 113 SER H H 1 8.110 0.020 . 1 . . . . 113 SER H . 17357 1 705 . 1 1 113 113 SER CA C 13 62.106 0.3 . 1 . . . . 113 SER CA . 17357 1 706 . 1 1 113 113 SER CB C 13 63.950 0.3 . 1 . . . . 113 SER CB . 17357 1 707 . 1 1 113 113 SER N N 15 117.047 0.3 . 1 . . . . 113 SER N . 17357 1 708 . 1 1 118 118 LEU H H 1 8.331 0.020 . 1 . . . . 118 LEU H . 17357 1 709 . 1 1 118 118 LEU HA H 1 4.228 0.020 . 1 . . . . 118 LEU HA . 17357 1 710 . 1 1 118 118 LEU HB2 H 1 1.352 0.020 . 1 . . . . 118 LEU HB2 . 17357 1 711 . 1 1 118 118 LEU C C 13 176.811 0.3 . 1 . . . . 118 LEU C . 17357 1 712 . 1 1 118 118 LEU CA C 13 57.950 0.3 . 1 . . . . 118 LEU CA . 17357 1 713 . 1 1 118 118 LEU CB C 13 41.094 0.3 . 1 . . . . 118 LEU CB . 17357 1 714 . 1 1 118 118 LEU N N 15 125.608 0.3 . 1 . . . . 118 LEU N . 17357 1 715 . 1 1 119 119 ASP H H 1 8.592 0.020 . 1 . . . . 119 ASP H . 17357 1 716 . 1 1 119 119 ASP HA H 1 4.104 0.020 . 1 . . . . 119 ASP HA . 17357 1 717 . 1 1 119 119 ASP HB2 H 1 3.083 0.020 . 2 . . . . 119 ASP HB2 . 17357 1 718 . 1 1 119 119 ASP HB3 H 1 2.734 0.020 . 2 . . . . 119 ASP HB3 . 17357 1 719 . 1 1 119 119 ASP C C 13 178.310 0.3 . 1 . . . . 119 ASP C . 17357 1 720 . 1 1 119 119 ASP CA C 13 57.993 0.3 . 1 . . . . 119 ASP CA . 17357 1 721 . 1 1 119 119 ASP CB C 13 42.089 0.3 . 1 . . . . 119 ASP CB . 17357 1 722 . 1 1 119 119 ASP N N 15 120.339 0.3 . 1 . . . . 119 ASP N . 17357 1 723 . 1 1 120 120 HIS H H 1 8.185 0.020 . 1 . . . . 120 HIS H . 17357 1 724 . 1 1 120 120 HIS HA H 1 4.116 0.020 . 1 . . . . 120 HIS HA . 17357 1 725 . 1 1 120 120 HIS HB2 H 1 3.232 0.020 . 1 . . . . 120 HIS HB2 . 17357 1 726 . 1 1 120 120 HIS C C 13 176.573 0.3 . 1 . . . . 120 HIS C . 17357 1 727 . 1 1 120 120 HIS CA C 13 60.152 0.3 . 1 . . . . 120 HIS CA . 17357 1 728 . 1 1 120 120 HIS CB C 13 28.815 0.3 . 1 . . . . 120 HIS CB . 17357 1 729 . 1 1 120 120 HIS N N 15 117.407 0.3 . 1 . . . . 120 HIS N . 17357 1 730 . 1 1 121 121 ALA H H 1 8.168 0.020 . 1 . . . . 121 ALA H . 17357 1 731 . 1 1 121 121 ALA HA H 1 4.067 0.020 . 1 . . . . 121 ALA HA . 17357 1 732 . 1 1 121 121 ALA HB1 H 1 1.639 0.020 . 1 . . . . 121 ALA HB . 17357 1 733 . 1 1 121 121 ALA HB2 H 1 1.639 0.020 . 1 . . . . 121 ALA HB . 17357 1 734 . 1 1 121 121 ALA HB3 H 1 1.639 0.020 . 1 . . . . 121 ALA HB . 17357 1 735 . 1 1 121 121 ALA C C 13 178.239 0.3 . 1 . . . . 121 ALA C . 17357 1 736 . 1 1 121 121 ALA CA C 13 54.522 0.3 . 1 . . . . 121 ALA CA . 17357 1 737 . 1 1 121 121 ALA CB C 13 17.953 0.3 . 1 . . . . 121 ALA CB . 17357 1 738 . 1 1 121 121 ALA N N 15 121.398 0.3 . 1 . . . . 121 ALA N . 17357 1 739 . 1 1 122 122 ALA H H 1 7.822 0.020 . 1 . . . . 122 ALA H . 17357 1 740 . 1 1 122 122 ALA HA H 1 4.191 0.020 . 1 . . . . 122 ALA HA . 17357 1 741 . 1 1 122 122 ALA HB1 H 1 1.726 0.020 . 1 . . . . 122 ALA HB . 17357 1 742 . 1 1 122 122 ALA HB2 H 1 1.726 0.020 . 1 . . . . 122 ALA HB . 17357 1 743 . 1 1 122 122 ALA HB3 H 1 1.726 0.020 . 1 . . . . 122 ALA HB . 17357 1 744 . 1 1 122 122 ALA C C 13 179.738 0.3 . 1 . . . . 122 ALA C . 17357 1 745 . 1 1 122 122 ALA CA C 13 53.666 0.3 . 1 . . . . 122 ALA CA . 17357 1 746 . 1 1 122 122 ALA CB C 13 19.266 0.3 . 1 . . . . 122 ALA CB . 17357 1 747 . 1 1 122 122 ALA N N 15 117.609 0.3 . 1 . . . . 122 ALA N . 17357 1 748 . 1 1 123 123 LYS H H 1 8.048 0.020 . 1 . . . . 123 LYS H . 17357 1 749 . 1 1 123 123 LYS HA H 1 3.780 0.020 . 1 . . . . 123 LYS HA . 17357 1 750 . 1 1 123 123 LYS HB2 H 1 1.975 0.020 . 1 . . . . 123 LYS HB2 . 17357 1 751 . 1 1 123 123 LYS C C 13 178.828 0.3 . 1 . . . . 123 LYS C . 17357 1 752 . 1 1 123 123 LYS CA C 13 59.565 0.3 . 1 . . . . 123 LYS CA . 17357 1 753 . 1 1 123 123 LYS CB C 13 32.188 0.3 . 1 . . . . 123 LYS CB . 17357 1 754 . 1 1 123 123 LYS N N 15 122.209 0.3 . 1 . . . . 123 LYS N . 17357 1 755 . 1 1 124 124 ILE H H 1 7.426 0.020 . 1 . . . . 124 ILE H . 17357 1 756 . 1 1 124 124 ILE HA H 1 4.104 0.020 . 1 . . . . 124 ILE HA . 17357 1 757 . 1 1 124 124 ILE HB H 1 2.025 0.020 . 1 . . . . 124 ILE HB . 17357 1 758 . 1 1 124 124 ILE C C 13 174.838 0.3 . 1 . . . . 124 ILE C . 17357 1 759 . 1 1 124 124 ILE CA C 13 61.063 0.3 . 1 . . . . 124 ILE CA . 17357 1 760 . 1 1 124 124 ILE CB C 13 37.112 0.3 . 1 . . . . 124 ILE CB . 17357 1 761 . 1 1 124 124 ILE CG2 C 13 17.610 0.3 . 1 . . . . 124 ILE CG2 . 17357 1 762 . 1 1 124 124 ILE CD1 C 13 14.374 0.3 . 1 . . . . 124 ILE CD1 . 17357 1 763 . 1 1 124 124 ILE N N 15 108.565 0.3 . 1 . . . . 124 ILE N . 17357 1 764 . 1 1 125 125 LYS H H 1 7.121 0.020 . 1 . . . . 125 LYS H . 17357 1 765 . 1 1 125 125 LYS HB2 H 1 1.713 0.020 . 2 . . . . 125 LYS HB2 . 17357 1 766 . 1 1 125 125 LYS HB3 H 1 1.278 0.020 . 2 . . . . 125 LYS HB3 . 17357 1 767 . 1 1 125 125 LYS HE2 H 1 3.018 0.020 . 1 . . . . 125 LYS HE2 . 17357 1 768 . 1 1 125 125 LYS C C 13 174.814 0.3 . 1 . . . . 125 LYS C . 17357 1 769 . 1 1 125 125 LYS CA C 13 55.797 0.3 . 1 . . . . 125 LYS CA . 17357 1 770 . 1 1 125 125 LYS CB C 13 28.803 0.3 . 1 . . . . 125 LYS CB . 17357 1 771 . 1 1 125 125 LYS CG C 13 24.749 0.3 . 1 . . . . 125 LYS CG . 17357 1 772 . 1 1 125 125 LYS N N 15 120.011 0.3 . 1 . . . . 125 LYS N . 17357 1 773 . 1 1 126 126 SER H H 1 7.274 0.020 . 1 . . . . 126 SER H . 17357 1 774 . 1 1 126 126 SER C C 13 173.482 0.3 . 1 . . . . 126 SER C . 17357 1 775 . 1 1 126 126 SER CA C 13 53.105 0.3 . 1 . . . . 126 SER CA . 17357 1 776 . 1 1 126 126 SER CB C 13 63.922 0.3 . 1 . . . . 126 SER CB . 17357 1 777 . 1 1 126 126 SER N N 15 111.274 0.3 . 1 . . . . 126 SER N . 17357 1 778 . 1 1 127 127 PRO HA H 1 4.453 0.020 . 1 . . . . 127 PRO HA . 17357 1 779 . 1 1 127 127 PRO HB2 H 1 2.672 0.020 . 2 . . . . 127 PRO HB2 . 17357 1 780 . 1 1 127 127 PRO HB3 H 1 2.274 0.020 . 2 . . . . 127 PRO HB3 . 17357 1 781 . 1 1 127 127 PRO C C 13 179.083 0.3 . 1 . . . . 127 PRO C . 17357 1 782 . 1 1 127 127 PRO CA C 13 65.516 0.3 . 1 . . . . 127 PRO CA . 17357 1 783 . 1 1 127 127 PRO CB C 13 32.327 0.3 . 1 . . . . 127 PRO CB . 17357 1 784 . 1 1 127 127 PRO CG C 13 28.176 0.3 . 1 . . . . 127 PRO CG . 17357 1 785 . 1 1 128 128 THR H H 1 7.833 0.020 . 1 . . . . 128 THR H . 17357 1 786 . 1 1 128 128 THR HA H 1 4.139 0.020 . 1 . . . . 128 THR HA . 17357 1 787 . 1 1 128 128 THR HB H 1 4.138 0.020 . 1 . . . . 128 THR HB . 17357 1 788 . 1 1 128 128 THR HG21 H 1 1.282 0.020 . 1 . . . . 128 THR HG2 . 17357 1 789 . 1 1 128 128 THR HG22 H 1 1.282 0.020 . 1 . . . . 128 THR HG2 . 17357 1 790 . 1 1 128 128 THR HG23 H 1 1.282 0.020 . 1 . . . . 128 THR HG2 . 17357 1 791 . 1 1 128 128 THR C C 13 178.765 0.3 . 1 . . . . 128 THR C . 17357 1 792 . 1 1 128 128 THR CA C 13 65.146 0.3 . 1 . . . . 128 THR CA . 17357 1 793 . 1 1 128 128 THR CB C 13 67.774 0.3 . 1 . . . . 128 THR CB . 17357 1 794 . 1 1 128 128 THR CG2 C 13 22.274 0.3 . 1 . . . . 128 THR CG2 . 17357 1 795 . 1 1 128 128 THR N N 15 109.654 0.3 . 1 . . . . 128 THR N . 17357 1 796 . 1 1 129 129 GLU H H 1 8.079 0.020 . 1 . . . . 129 GLU H . 17357 1 797 . 1 1 129 129 GLU HA H 1 4.465 0.020 . 1 . . . . 129 GLU HA . 17357 1 798 . 1 1 129 129 GLU HB2 H 1 2.336 0.020 . 1 . . . . 129 GLU HB2 . 17357 1 799 . 1 1 129 129 GLU HB3 H 1 2.336 0.020 . 2 . . . . 129 GLU HB3 . 17357 1 800 . 1 1 129 129 GLU C C 13 178.122 0.3 . 1 . . . . 129 GLU C . 17357 1 801 . 1 1 129 129 GLU CA C 13 58.657 0.3 . 1 . . . . 129 GLU CA . 17357 1 802 . 1 1 129 129 GLU CB C 13 29.678 0.3 . 1 . . . . 129 GLU CB . 17357 1 803 . 1 1 129 129 GLU CG C 13 36.933 0.3 . 1 . . . . 129 GLU CG . 17357 1 804 . 1 1 129 129 GLU N N 15 123.057 0.3 . 1 . . . . 129 GLU N . 17357 1 805 . 1 1 130 130 ALA H H 1 8.733 0.020 . 1 . . . . 130 ALA H . 17357 1 806 . 1 1 130 130 ALA HA H 1 4.054 0.020 . 1 . . . . 130 ALA HA . 17357 1 807 . 1 1 130 130 ALA HB1 H 1 1.502 0.020 . 1 . . . . 130 ALA HB . 17357 1 808 . 1 1 130 130 ALA HB2 H 1 1.502 0.020 . 1 . . . . 130 ALA HB . 17357 1 809 . 1 1 130 130 ALA HB3 H 1 1.502 0.020 . 1 . . . . 130 ALA HB . 17357 1 810 . 1 1 130 130 ALA C C 13 179.145 0.3 . 1 . . . . 130 ALA C . 17357 1 811 . 1 1 130 130 ALA CA C 13 55.266 0.3 . 1 . . . . 130 ALA CA . 17357 1 812 . 1 1 130 130 ALA CB C 13 18.293 0.3 . 1 . . . . 130 ALA CB . 17357 1 813 . 1 1 130 130 ALA N N 15 122.154 0.3 . 1 . . . . 130 ALA N . 17357 1 814 . 1 1 131 131 GLU H H 1 8.348 0.020 . 1 . . . . 131 GLU H . 17357 1 815 . 1 1 131 131 GLU HA H 1 4.054 0.020 . 1 . . . . 131 GLU HA . 17357 1 816 . 1 1 131 131 GLU HB2 H 1 2.138 0.020 . 1 . . . . 131 GLU HB2 . 17357 1 817 . 1 1 131 131 GLU HG2 H 1 2.471 0.020 . 2 . . . . 131 GLU HG2 . 17357 1 818 . 1 1 131 131 GLU HG3 H 1 2.283 0.020 . 2 . . . . 131 GLU HG3 . 17357 1 819 . 1 1 131 131 GLU C C 13 179.714 0.3 . 1 . . . . 131 GLU C . 17357 1 820 . 1 1 131 131 GLU CA C 13 60.113 0.3 . 1 . . . . 131 GLU CA . 17357 1 821 . 1 1 131 131 GLU CB C 13 29.454 0.3 . 1 . . . . 131 GLU CB . 17357 1 822 . 1 1 131 131 GLU CG C 13 36.457 0.3 . 1 . . . . 131 GLU CG . 17357 1 823 . 1 1 131 131 GLU N N 15 117.714 0.3 . 1 . . . . 131 GLU N . 17357 1 824 . 1 1 132 132 LYS H H 1 7.595 0.020 . 1 . . . . 132 LYS H . 17357 1 825 . 1 1 132 132 LYS HA H 1 3.979 0.020 . 1 . . . . 132 LYS HA . 17357 1 826 . 1 1 132 132 LYS HB2 H 1 1.688 0.020 . 1 . . . . 132 LYS HB2 . 17357 1 827 . 1 1 132 132 LYS HE2 H 1 2.541 0.020 . 1 . . . . 132 LYS HE2 . 17357 1 828 . 1 1 132 132 LYS C C 13 180.047 0.3 . 1 . . . . 132 LYS C . 17357 1 829 . 1 1 132 132 LYS CA C 13 59.355 0.3 . 1 . . . . 132 LYS CA . 17357 1 830 . 1 1 132 132 LYS CB C 13 32.176 0.3 . 1 . . . . 132 LYS CB . 17357 1 831 . 1 1 132 132 LYS CG C 13 23.797 0.3 . 1 . . . . 132 LYS CG . 17357 1 832 . 1 1 132 132 LYS N N 15 120.922 0.3 . 1 . . . . 132 LYS N . 17357 1 833 . 1 1 133 133 TYR H H 1 8.568 0.020 . 1 . . . . 133 TYR H . 17357 1 834 . 1 1 133 133 TYR HA H 1 4.453 0.020 . 1 . . . . 133 TYR HA . 17357 1 835 . 1 1 133 133 TYR HB2 H 1 3.369 0.020 . 2 . . . . 133 TYR HB2 . 17357 1 836 . 1 1 133 133 TYR HB3 H 1 2.560 0.020 . 2 . . . . 133 TYR HB3 . 17357 1 837 . 1 1 133 133 TYR C C 13 179.167 0.3 . 1 . . . . 133 TYR C . 17357 1 838 . 1 1 133 133 TYR CA C 13 62.567 0.3 . 1 . . . . 133 TYR CA . 17357 1 839 . 1 1 133 133 TYR CB C 13 37.035 0.3 . 1 . . . . 133 TYR CB . 17357 1 840 . 1 1 133 133 TYR N N 15 116.687 0.3 . 1 . . . . 133 TYR N . 17357 1 841 . 1 1 134 134 TYR H H 1 9.576 0.020 . 1 . . . . 134 TYR H . 17357 1 842 . 1 1 134 134 TYR HA H 1 4.154 0.020 . 1 . . . . 134 TYR HA . 17357 1 843 . 1 1 134 134 TYR HB2 H 1 3.120 0.020 . 1 . . . . 134 TYR HB2 . 17357 1 844 . 1 1 134 134 TYR C C 13 176.382 0.3 . 1 . . . . 134 TYR C . 17357 1 845 . 1 1 134 134 TYR CA C 13 63.093 0.3 . 1 . . . . 134 TYR CA . 17357 1 846 . 1 1 134 134 TYR CB C 13 38.142 0.3 . 1 . . . . 134 TYR CB . 17357 1 847 . 1 1 134 134 TYR N N 15 127.198 0.3 . 1 . . . . 134 TYR N . 17357 1 848 . 1 1 135 135 GLY H H 1 8.182 0.020 . 1 . . . . 135 GLY H . 17357 1 849 . 1 1 135 135 GLY HA2 H 1 4.004 0.020 . 2 . . . . 135 GLY HA2 . 17357 1 850 . 1 1 135 135 GLY HA3 H 1 3.681 0.020 . 2 . . . . 135 GLY HA3 . 17357 1 851 . 1 1 135 135 GLY C C 13 177.239 0.3 . 1 . . . . 135 GLY C . 17357 1 852 . 1 1 135 135 GLY CA C 13 47.529 0.3 . 1 . . . . 135 GLY CA . 17357 1 853 . 1 1 135 135 GLY N N 15 106.437 0.3 . 1 . . . . 135 GLY N . 17357 1 854 . 1 1 136 136 GLN H H 1 7.615 0.020 . 1 . . . . 136 GLN H . 17357 1 855 . 1 1 136 136 GLN HA H 1 4.104 0.020 . 1 . . . . 136 GLN HA . 17357 1 856 . 1 1 136 136 GLN HB2 H 1 2.286 0.020 . 2 . . . . 136 GLN HB2 . 17357 1 857 . 1 1 136 136 GLN HB3 H 1 2.083 0.020 . 2 . . . . 136 GLN HB3 . 17357 1 858 . 1 1 136 136 GLN HG2 H 1 2.583 0.020 . 2 . . . . 136 GLN HG2 . 17357 1 859 . 1 1 136 136 GLN HG3 H 1 2.443 0.020 . 2 . . . . 136 GLN HG3 . 17357 1 860 . 1 1 136 136 GLN C C 13 177.682 0.3 . 1 . . . . 136 GLN C . 17357 1 861 . 1 1 136 136 GLN CA C 13 59.093 0.3 . 1 . . . . 136 GLN CA . 17357 1 862 . 1 1 136 136 GLN CB C 13 28.905 0.3 . 1 . . . . 136 GLN CB . 17357 1 863 . 1 1 136 136 GLN CG C 13 33.982 0.3 . 1 . . . . 136 GLN CG . 17357 1 864 . 1 1 136 136 GLN N N 15 119.338 0.3 . 1 . . . . 136 GLN N . 17357 1 865 . 1 1 137 137 THR H H 1 8.053 0.020 . 1 . . . . 137 THR H . 17357 1 866 . 1 1 137 137 THR CA C 13 68.667 0.3 . 1 . . . . 137 THR CA . 17357 1 867 . 1 1 137 137 THR CB C 13 67.659 0.3 . 1 . . . . 137 THR CB . 17357 1 868 . 1 1 137 137 THR N N 15 118.566 0.3 . 1 . . . . 137 THR N . 17357 1 869 . 1 1 141 141 ILE H H 1 9.189 0.020 . 1 . . . . 141 ILE H . 17357 1 870 . 1 1 141 141 ILE HA H 1 4.428 0.020 . 1 . . . . 141 ILE HA . 17357 1 871 . 1 1 141 141 ILE HB H 1 2.174 0.020 . 1 . . . . 141 ILE HB . 17357 1 872 . 1 1 141 141 ILE HD11 H 1 0.814 0.020 . 1 . . . . 141 ILE HD1 . 17357 1 873 . 1 1 141 141 ILE HD12 H 1 0.814 0.020 . 1 . . . . 141 ILE HD1 . 17357 1 874 . 1 1 141 141 ILE HD13 H 1 0.814 0.020 . 1 . . . . 141 ILE HD1 . 17357 1 875 . 1 1 141 141 ILE C C 13 177.242 0.3 . 1 . . . . 141 ILE C . 17357 1 876 . 1 1 141 141 ILE CA C 13 65.055 0.3 . 1 . . . . 141 ILE CA . 17357 1 877 . 1 1 141 141 ILE CB C 13 36.351 0.3 . 1 . . . . 141 ILE CB . 17357 1 878 . 1 1 141 141 ILE CG2 C 13 17.534 0.3 . 1 . . . . 141 ILE CG2 . 17357 1 879 . 1 1 141 141 ILE CD1 C 13 13.552 0.3 . 1 . . . . 141 ILE CD1 . 17357 1 880 . 1 1 141 141 ILE N N 15 123.371 0.3 . 1 . . . . 141 ILE N . 17357 1 881 . 1 1 142 142 ASN H H 1 8.288 0.020 . 1 . . . . 142 ASN H . 17357 1 882 . 1 1 142 142 ASN HA H 1 4.428 0.020 . 1 . . . . 142 ASN HA . 17357 1 883 . 1 1 142 142 ASN HB2 H 1 2.958 0.020 . 2 . . . . 142 ASN HB2 . 17357 1 884 . 1 1 142 142 ASN HB3 H 1 2.756 0.020 . 2 . . . . 142 ASN HB3 . 17357 1 885 . 1 1 142 142 ASN C C 13 178.762 0.3 . 1 . . . . 142 ASN C . 17357 1 886 . 1 1 142 142 ASN CA C 13 56.522 0.3 . 1 . . . . 142 ASN CA . 17357 1 887 . 1 1 142 142 ASN CB C 13 37.475 0.3 . 1 . . . . 142 ASN CB . 17357 1 888 . 1 1 142 142 ASN N N 15 119.151 0.3 . 1 . . . . 142 ASN N . 17357 1 889 . 1 1 143 143 GLU H H 1 7.800 0.020 . 1 . . . . 143 GLU H . 17357 1 890 . 1 1 143 143 GLU HA H 1 4.116 0.020 . 1 . . . . 143 GLU HA . 17357 1 891 . 1 1 143 143 GLU HB2 H 1 2.174 0.020 . 1 . . . . 143 GLU HB2 . 17357 1 892 . 1 1 143 143 GLU C C 13 179.037 0.3 . 1 . . . . 143 GLU C . 17357 1 893 . 1 1 143 143 GLU CA C 13 59.643 0.3 . 1 . . . . 143 GLU CA . 17357 1 894 . 1 1 143 143 GLU CB C 13 29.965 0.3 . 1 . . . . 143 GLU CB . 17357 1 895 . 1 1 143 143 GLU CG C 13 36.743 0.3 . 1 . . . . 143 GLU CG . 17357 1 896 . 1 1 143 143 GLU N N 15 119.853 0.3 . 1 . . . . 143 GLU N . 17357 1 897 . 1 1 144 144 VAL H H 1 7.919 0.020 . 1 . . . . 144 VAL H . 17357 1 898 . 1 1 144 144 VAL HA H 1 3.467 0.020 . 1 . . . . 144 VAL HA . 17357 1 899 . 1 1 144 144 VAL HB H 1 2.199 0.020 . 1 . . . . 144 VAL HB . 17357 1 900 . 1 1 144 144 VAL HG11 H 1 0.940 0.020 . 1 . . . . 144 VAL HG1 . 17357 1 901 . 1 1 144 144 VAL HG12 H 1 0.940 0.020 . 1 . . . . 144 VAL HG1 . 17357 1 902 . 1 1 144 144 VAL HG13 H 1 0.940 0.020 . 1 . . . . 144 VAL HG1 . 17357 1 903 . 1 1 144 144 VAL HG21 H 1 0.806 0.020 . 1 . . . . 144 VAL HG2 . 17357 1 904 . 1 1 144 144 VAL HG22 H 1 0.806 0.020 . 1 . . . . 144 VAL HG2 . 17357 1 905 . 1 1 144 144 VAL HG23 H 1 0.806 0.020 . 1 . . . . 144 VAL HG2 . 17357 1 906 . 1 1 144 144 VAL C C 13 177.908 0.3 . 1 . . . . 144 VAL C . 17357 1 907 . 1 1 144 144 VAL CA C 13 66.997 0.3 . 1 . . . . 144 VAL CA . 17357 1 908 . 1 1 144 144 VAL CB C 13 31.571 0.3 . 1 . . . . 144 VAL CB . 17357 1 909 . 1 1 144 144 VAL CG1 C 13 21.037 0.3 . 1 . . . . 144 VAL CG1 . 17357 1 910 . 1 1 144 144 VAL CG2 C 13 24.368 0.3 . 1 . . . . 144 VAL CG2 . 17357 1 911 . 1 1 144 144 VAL N N 15 119.901 0.3 . 1 . . . . 144 VAL N . 17357 1 912 . 1 1 145 145 LEU H H 1 8.982 0.020 . 1 . . . . 145 LEU H . 17357 1 913 . 1 1 145 145 LEU HA H 1 3.867 0.020 . 1 . . . . 145 LEU HA . 17357 1 914 . 1 1 145 145 LEU HB2 H 1 1.952 0.020 . 2 . . . . 145 LEU HB2 . 17357 1 915 . 1 1 145 145 LEU HB3 H 1 1.502 0.020 . 2 . . . . 145 LEU HB3 . 17357 1 916 . 1 1 145 145 LEU HG H 1 1.167 0.020 . 1 . . . . 145 LEU HG . 17357 1 917 . 1 1 145 145 LEU HD11 H 1 0.864 0.020 . 1 . . . . 145 LEU HD1 . 17357 1 918 . 1 1 145 145 LEU HD12 H 1 0.864 0.020 . 1 . . . . 145 LEU HD1 . 17357 1 919 . 1 1 145 145 LEU HD13 H 1 0.864 0.020 . 1 . . . . 145 LEU HD1 . 17357 1 920 . 1 1 145 145 LEU C C 13 180.097 0.3 . 1 . . . . 145 LEU C . 17357 1 921 . 1 1 145 145 LEU CA C 13 58.156 0.3 . 1 . . . . 145 LEU CA . 17357 1 922 . 1 1 145 145 LEU CB C 13 40.865 0.3 . 1 . . . . 145 LEU CB . 17357 1 923 . 1 1 145 145 LEU CG C 13 27.129 0.3 . 1 . . . . 145 LEU CG . 17357 1 924 . 1 1 145 145 LEU CD1 C 13 25.511 0.3 . 1 . . . . 145 LEU CD1 . 17357 1 925 . 1 1 145 145 LEU N N 15 118.426 0.3 . 1 . . . . 145 LEU N . 17357 1 926 . 1 1 146 146 ALA H H 1 7.513 0.020 . 1 . . . . 146 ALA H . 17357 1 927 . 1 1 146 146 ALA HA H 1 4.191 0.020 . 1 . . . . 146 ALA HA . 17357 1 928 . 1 1 146 146 ALA HB1 H 1 1.477 0.020 . 1 . . . . 146 ALA HB . 17357 1 929 . 1 1 146 146 ALA HB2 H 1 1.477 0.020 . 1 . . . . 146 ALA HB . 17357 1 930 . 1 1 146 146 ALA HB3 H 1 1.477 0.020 . 1 . . . . 146 ALA HB . 17357 1 931 . 1 1 146 146 ALA C C 13 179.476 0.3 . 1 . . . . 146 ALA C . 17357 1 932 . 1 1 146 146 ALA CA C 13 54.351 0.3 . 1 . . . . 146 ALA CA . 17357 1 933 . 1 1 146 146 ALA CB C 13 18.006 0.3 . 1 . . . . 146 ALA CB . 17357 1 934 . 1 1 146 146 ALA N N 15 119.677 0.3 . 1 . . . . 146 ALA N . 17357 1 935 . 1 1 147 147 LYS H H 1 7.568 0.020 . 1 . . . . 147 LYS H . 17357 1 936 . 1 1 147 147 LYS HA H 1 4.353 0.020 . 1 . . . . 147 LYS HA . 17357 1 937 . 1 1 147 147 LYS HB2 H 1 1.925 0.020 . 1 . . . . 147 LYS HB2 . 17357 1 938 . 1 1 147 147 LYS HD2 H 1 1.621 0.020 . 1 . . . . 147 LYS HD2 . 17357 1 939 . 1 1 147 147 LYS HE2 H 1 2.926 0.020 . 1 . . . . 147 LYS HE2 . 17357 1 940 . 1 1 147 147 LYS C C 13 177.596 0.3 . 1 . . . . 147 LYS C . 17357 1 941 . 1 1 147 147 LYS CA C 13 55.474 0.3 . 1 . . . . 147 LYS CA . 17357 1 942 . 1 1 147 147 LYS CB C 13 32.619 0.3 . 1 . . . . 147 LYS CB . 17357 1 943 . 1 1 147 147 LYS CG C 13 24.844 0.3 . 1 . . . . 147 LYS CG . 17357 1 944 . 1 1 147 147 LYS N N 15 115.845 0.3 . 1 . . . . 147 LYS N . 17357 1 945 . 1 1 148 148 LEU H H 1 7.664 0.020 . 1 . . . . 148 LEU H . 17357 1 946 . 1 1 148 148 LEU HA H 1 4.191 0.020 . 1 . . . . 148 LEU HA . 17357 1 947 . 1 1 148 148 LEU HB2 H 1 2.338 0.020 . 2 . . . . 148 LEU HB2 . 17357 1 948 . 1 1 148 148 LEU HB3 H 1 1.875 0.020 . 2 . . . . 148 LEU HB3 . 17357 1 949 . 1 1 148 148 LEU HG H 1 1.984 0.020 . 1 . . . . 148 LEU HG . 17357 1 950 . 1 1 148 148 LEU HD11 H 1 0.782 0.020 . 1 . . . . 148 LEU HD1 . 17357 1 951 . 1 1 148 148 LEU HD12 H 1 0.782 0.020 . 1 . . . . 148 LEU HD1 . 17357 1 952 . 1 1 148 148 LEU HD13 H 1 0.782 0.020 . 1 . . . . 148 LEU HD1 . 17357 1 953 . 1 1 148 148 LEU C C 13 177.001 0.3 . 1 . . . . 148 LEU C . 17357 1 954 . 1 1 148 148 LEU CA C 13 55.836 0.3 . 1 . . . . 148 LEU CA . 17357 1 955 . 1 1 148 148 LEU CB C 13 42.332 0.3 . 1 . . . . 148 LEU CB . 17357 1 956 . 1 1 148 148 LEU CG C 13 26.082 0.3 . 1 . . . . 148 LEU CG . 17357 1 957 . 1 1 148 148 LEU N N 15 119.200 0.3 . 1 . . . . 148 LEU N . 17357 1 958 . 1 1 149 149 GLY H H 1 7.560 0.020 . 1 . . . . 149 GLY H . 17357 1 959 . 1 1 149 149 GLY C C 13 179.048 0.3 . 1 . . . . 149 GLY C . 17357 1 960 . 1 1 149 149 GLY CA C 13 46.240 0.3 . 1 . . . . 149 GLY CA . 17357 1 961 . 1 1 149 149 GLY N N 15 112.662 0.3 . 1 . . . . 149 GLY N . 17357 1 stop_ save_