data_18349 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18349 _Entry.Title ; NMR structure of a LINE-1 type transposase domain-containing protein 1 (L1TD1) from HOMO SAPINES ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-26 _Entry.Accession_date 2012-03-26 _Entry.Last_release_date 2012-07-02 _Entry.Original_release_date 2012-07-02 _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 NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pedro Serrano . . . 18349 2 Michael Geralt . . . 18349 3 Biswaranjan Mohanty . . . 18349 4 Kurt Wuthrich . . . 18349 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 18349 2 PSI:Biology 'Partnership for Stem Cell Biology' . 18349 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID JCSG . 18349 L1TD1 . 18349 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18349 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 294 18349 '15N chemical shifts' 88 18349 '1H chemical shifts' 608 18349 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-07-02 2012-03-26 original author . 18349 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LR6 'BMRB Entry Tracking System' 18349 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18349 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of a LINE-1 type transposase domain-containing protein 1 (L1TD1) from HOMO SAPINES' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Pedro Serrano . . . 18349 1 2 Michael Geralt . . . 18349 1 3 Biswaranjan Mohanty . . . 18349 1 4 Kurt Wuthrich . . . 18349 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18349 _Assembly.ID 1 _Assembly.Name RF2209A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 L1TD1 1 $L1TD1 A . yes native no no . . . 18349 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L1TD1 _Entity.Sf_category entity _Entity.Sf_framecode L1TD1 _Entity.Entry_ID 18349 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name L1TD1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVLMDEGAVLTLAADLSSAT LDISKQWSNVFNILRENDFE PKFLCEVKLAFKCDGEIKTF SDLQSLRKFASQKSSMKELL KDVLPQKEGVLMDEGAVLTL AADLSSATLDISKQWSNVFN ILRENDFEPKFLCEVKLAFK CDGEIKTFSDLQSLRKFASQ KSSMKELLKDVLPQKE ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19804.965 _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 PDB 2LR6 . "Nmr Structure Of A Line-1 Type Transposase Domain-containing Protein 1 (l1td1) From Homo Sapiens" . . . . . 50.00 88 100.00 100.00 4.45e-53 . . . . 18349 1 2 no DBJ BAA91878 . "unnamed protein product [Homo sapiens]" . . . . . 50.57 440 97.75 98.88 5.03e-50 . . . . 18349 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 1 GLY . 18349 1 2 2 VAL . 18349 1 3 3 LEU . 18349 1 4 4 MET . 18349 1 5 5 ASP . 18349 1 6 6 GLU . 18349 1 7 7 GLY . 18349 1 8 8 ALA . 18349 1 9 9 VAL . 18349 1 10 10 LEU . 18349 1 11 11 THR . 18349 1 12 12 LEU . 18349 1 13 13 ALA . 18349 1 14 14 ALA . 18349 1 15 15 ASP . 18349 1 16 16 LEU . 18349 1 17 17 SER . 18349 1 18 18 SER . 18349 1 19 19 ALA . 18349 1 20 20 THR . 18349 1 21 21 LEU . 18349 1 22 22 ASP . 18349 1 23 23 ILE . 18349 1 24 24 SER . 18349 1 25 25 LYS . 18349 1 26 26 GLN . 18349 1 27 27 TRP . 18349 1 28 28 SER . 18349 1 29 29 ASN . 18349 1 30 30 VAL . 18349 1 31 31 PHE . 18349 1 32 32 ASN . 18349 1 33 33 ILE . 18349 1 34 34 LEU . 18349 1 35 35 ARG . 18349 1 36 36 GLU . 18349 1 37 37 ASN . 18349 1 38 38 ASP . 18349 1 39 39 PHE . 18349 1 40 40 GLU . 18349 1 41 41 PRO . 18349 1 42 42 LYS . 18349 1 43 43 PHE . 18349 1 44 44 LEU . 18349 1 45 45 CYS . 18349 1 46 46 GLU . 18349 1 47 47 VAL . 18349 1 48 48 LYS . 18349 1 49 49 LEU . 18349 1 50 50 ALA . 18349 1 51 51 PHE . 18349 1 52 52 LYS . 18349 1 53 53 CYS . 18349 1 54 54 ASP . 18349 1 55 55 GLY . 18349 1 56 56 GLU . 18349 1 57 57 ILE . 18349 1 58 58 LYS . 18349 1 59 59 THR . 18349 1 60 60 PHE . 18349 1 61 61 SER . 18349 1 62 62 ASP . 18349 1 63 63 LEU . 18349 1 64 64 GLN . 18349 1 65 65 SER . 18349 1 66 66 LEU . 18349 1 67 67 ARG . 18349 1 68 68 LYS . 18349 1 69 69 PHE . 18349 1 70 70 ALA . 18349 1 71 71 SER . 18349 1 72 72 GLN . 18349 1 73 73 LYS . 18349 1 74 74 SER . 18349 1 75 75 SER . 18349 1 76 76 MET . 18349 1 77 77 LYS . 18349 1 78 78 GLU . 18349 1 79 79 LEU . 18349 1 80 80 LEU . 18349 1 81 81 LYS . 18349 1 82 82 ASP . 18349 1 83 83 VAL . 18349 1 84 84 LEU . 18349 1 85 85 PRO . 18349 1 86 86 GLN . 18349 1 87 87 LYS . 18349 1 88 88 GLU . 18349 1 89 89 GLY . 18349 1 90 90 VAL . 18349 1 91 91 LEU . 18349 1 92 92 MET . 18349 1 93 93 ASP . 18349 1 94 94 GLU . 18349 1 95 95 GLY . 18349 1 96 96 ALA . 18349 1 97 97 VAL . 18349 1 98 98 LEU . 18349 1 99 99 THR . 18349 1 100 100 LEU . 18349 1 101 101 ALA . 18349 1 102 102 ALA . 18349 1 103 103 ASP . 18349 1 104 104 LEU . 18349 1 105 105 SER . 18349 1 106 106 SER . 18349 1 107 107 ALA . 18349 1 108 108 THR . 18349 1 109 109 LEU . 18349 1 110 110 ASP . 18349 1 111 111 ILE . 18349 1 112 112 SER . 18349 1 113 113 LYS . 18349 1 114 114 GLN . 18349 1 115 115 TRP . 18349 1 116 116 SER . 18349 1 117 117 ASN . 18349 1 118 118 VAL . 18349 1 119 119 PHE . 18349 1 120 120 ASN . 18349 1 121 121 ILE . 18349 1 122 122 LEU . 18349 1 123 123 ARG . 18349 1 124 124 GLU . 18349 1 125 125 ASN . 18349 1 126 126 ASP . 18349 1 127 127 PHE . 18349 1 128 128 GLU . 18349 1 129 129 PRO . 18349 1 130 130 LYS . 18349 1 131 131 PHE . 18349 1 132 132 LEU . 18349 1 133 133 CYS . 18349 1 134 134 GLU . 18349 1 135 135 VAL . 18349 1 136 136 LYS . 18349 1 137 137 LEU . 18349 1 138 138 ALA . 18349 1 139 139 PHE . 18349 1 140 140 LYS . 18349 1 141 141 CYS . 18349 1 142 142 ASP . 18349 1 143 143 GLY . 18349 1 144 144 GLU . 18349 1 145 145 ILE . 18349 1 146 146 LYS . 18349 1 147 147 THR . 18349 1 148 148 PHE . 18349 1 149 149 SER . 18349 1 150 150 ASP . 18349 1 151 151 LEU . 18349 1 152 152 GLN . 18349 1 153 153 SER . 18349 1 154 154 LEU . 18349 1 155 155 ARG . 18349 1 156 156 LYS . 18349 1 157 157 PHE . 18349 1 158 158 ALA . 18349 1 159 159 SER . 18349 1 160 160 GLN . 18349 1 161 161 LYS . 18349 1 162 162 SER . 18349 1 163 163 SER . 18349 1 164 164 MET . 18349 1 165 165 LYS . 18349 1 166 166 GLU . 18349 1 167 167 LEU . 18349 1 168 168 LEU . 18349 1 169 169 LYS . 18349 1 170 170 ASP . 18349 1 171 171 VAL . 18349 1 172 172 LEU . 18349 1 173 173 PRO . 18349 1 174 174 GLN . 18349 1 175 175 LYS . 18349 1 176 176 GLU . 18349 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 . GLY 1 1 18349 1 . VAL 2 2 18349 1 . LEU 3 3 18349 1 . MET 4 4 18349 1 . ASP 5 5 18349 1 . GLU 6 6 18349 1 . GLY 7 7 18349 1 . ALA 8 8 18349 1 . VAL 9 9 18349 1 . LEU 10 10 18349 1 . THR 11 11 18349 1 . LEU 12 12 18349 1 . ALA 13 13 18349 1 . ALA 14 14 18349 1 . ASP 15 15 18349 1 . LEU 16 16 18349 1 . SER 17 17 18349 1 . SER 18 18 18349 1 . ALA 19 19 18349 1 . THR 20 20 18349 1 . LEU 21 21 18349 1 . ASP 22 22 18349 1 . ILE 23 23 18349 1 . SER 24 24 18349 1 . LYS 25 25 18349 1 . GLN 26 26 18349 1 . TRP 27 27 18349 1 . SER 28 28 18349 1 . ASN 29 29 18349 1 . VAL 30 30 18349 1 . PHE 31 31 18349 1 . ASN 32 32 18349 1 . ILE 33 33 18349 1 . LEU 34 34 18349 1 . ARG 35 35 18349 1 . GLU 36 36 18349 1 . ASN 37 37 18349 1 . ASP 38 38 18349 1 . PHE 39 39 18349 1 . GLU 40 40 18349 1 . PRO 41 41 18349 1 . LYS 42 42 18349 1 . PHE 43 43 18349 1 . LEU 44 44 18349 1 . CYS 45 45 18349 1 . GLU 46 46 18349 1 . VAL 47 47 18349 1 . LYS 48 48 18349 1 . LEU 49 49 18349 1 . ALA 50 50 18349 1 . PHE 51 51 18349 1 . LYS 52 52 18349 1 . CYS 53 53 18349 1 . ASP 54 54 18349 1 . GLY 55 55 18349 1 . GLU 56 56 18349 1 . ILE 57 57 18349 1 . LYS 58 58 18349 1 . THR 59 59 18349 1 . PHE 60 60 18349 1 . SER 61 61 18349 1 . ASP 62 62 18349 1 . LEU 63 63 18349 1 . GLN 64 64 18349 1 . SER 65 65 18349 1 . LEU 66 66 18349 1 . ARG 67 67 18349 1 . LYS 68 68 18349 1 . PHE 69 69 18349 1 . ALA 70 70 18349 1 . SER 71 71 18349 1 . GLN 72 72 18349 1 . LYS 73 73 18349 1 . SER 74 74 18349 1 . SER 75 75 18349 1 . MET 76 76 18349 1 . LYS 77 77 18349 1 . GLU 78 78 18349 1 . LEU 79 79 18349 1 . LEU 80 80 18349 1 . LYS 81 81 18349 1 . ASP 82 82 18349 1 . VAL 83 83 18349 1 . LEU 84 84 18349 1 . PRO 85 85 18349 1 . GLN 86 86 18349 1 . LYS 87 87 18349 1 . GLU 88 88 18349 1 . GLY 89 89 18349 1 . VAL 90 90 18349 1 . LEU 91 91 18349 1 . MET 92 92 18349 1 . ASP 93 93 18349 1 . GLU 94 94 18349 1 . GLY 95 95 18349 1 . ALA 96 96 18349 1 . VAL 97 97 18349 1 . LEU 98 98 18349 1 . THR 99 99 18349 1 . LEU 100 100 18349 1 . ALA 101 101 18349 1 . ALA 102 102 18349 1 . ASP 103 103 18349 1 . LEU 104 104 18349 1 . SER 105 105 18349 1 . SER 106 106 18349 1 . ALA 107 107 18349 1 . THR 108 108 18349 1 . LEU 109 109 18349 1 . ASP 110 110 18349 1 . ILE 111 111 18349 1 . SER 112 112 18349 1 . LYS 113 113 18349 1 . GLN 114 114 18349 1 . TRP 115 115 18349 1 . SER 116 116 18349 1 . ASN 117 117 18349 1 . VAL 118 118 18349 1 . PHE 119 119 18349 1 . ASN 120 120 18349 1 . ILE 121 121 18349 1 . LEU 122 122 18349 1 . ARG 123 123 18349 1 . GLU 124 124 18349 1 . ASN 125 125 18349 1 . ASP 126 126 18349 1 . PHE 127 127 18349 1 . GLU 128 128 18349 1 . PRO 129 129 18349 1 . LYS 130 130 18349 1 . PHE 131 131 18349 1 . LEU 132 132 18349 1 . CYS 133 133 18349 1 . GLU 134 134 18349 1 . VAL 135 135 18349 1 . LYS 136 136 18349 1 . LEU 137 137 18349 1 . ALA 138 138 18349 1 . PHE 139 139 18349 1 . LYS 140 140 18349 1 . CYS 141 141 18349 1 . ASP 142 142 18349 1 . GLY 143 143 18349 1 . GLU 144 144 18349 1 . ILE 145 145 18349 1 . LYS 146 146 18349 1 . THR 147 147 18349 1 . PHE 148 148 18349 1 . SER 149 149 18349 1 . ASP 150 150 18349 1 . LEU 151 151 18349 1 . GLN 152 152 18349 1 . SER 153 153 18349 1 . LEU 154 154 18349 1 . ARG 155 155 18349 1 . LYS 156 156 18349 1 . PHE 157 157 18349 1 . ALA 158 158 18349 1 . SER 159 159 18349 1 . GLN 160 160 18349 1 . LYS 161 161 18349 1 . SER 162 162 18349 1 . SER 163 163 18349 1 . MET 164 164 18349 1 . LYS 165 165 18349 1 . GLU 166 166 18349 1 . LEU 167 167 18349 1 . LEU 168 168 18349 1 . LYS 169 169 18349 1 . ASP 170 170 18349 1 . VAL 171 171 18349 1 . LEU 172 172 18349 1 . PRO 173 173 18349 1 . GLN 174 174 18349 1 . LYS 175 175 18349 1 . GLU 176 176 18349 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 18349 _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 $L1TD1 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18349 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 18349 _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 $L1TD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pSpeedET . . . . . . 18349 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18349 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 L1TD1 '[U-98% 13C; U-98% 15N]' . . 1 $L1TD1 . . 1.2 . . mM . . . . 18349 1 2 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18349 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18349 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18349 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18349 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18349 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 18349 _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' 0.185 . M 18349 1 pH 6.0 . pH 18349 1 pressure 1 . atm 18349 1 temperature 298 . K 18349 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18349 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 18349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18349 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18349 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18349 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18349 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18349 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18349 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18349 3 processing 18349 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18349 _Software.ID 4 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'UNIO Herrmann and Wuthrich' . . 18349 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18349 4 'structure solution' 18349 4 stop_ save_ save_cara _Software.Sf_category software _Software.Sf_framecode cara _Software.Entry_ID 18349 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18349 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18349 5 'data analysis' 18349 5 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 18349 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18349 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18349 _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 . 600 . . . 18349 1 2 spectrometer_2 Bruker Avance . 800 . . . 18349 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 18349 _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 . . . . . . . . . . . . . . . . 18349 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18349 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18349 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18349 1 5 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18349 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18349 1 7 'ASPY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18349 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 18349 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18349 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18349 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18349 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 18349 _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 0.009 _Assigned_chem_shift_list.Chem_shift_13C_err 0.18 _Assigned_chem_shift_list.Chem_shift_15N_err 0.13 _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' . . . 18349 1 2 '3D 1H-15N NOESY' . . . 18349 1 3 '3D 1H-13C NOESY aliphatic' . . . 18349 1 4 '3D 1H-13C NOESY aromatic' . . . 18349 1 5 'APSY 5D-HACACONH' . . . 18349 1 7 'ASPY 4D-HACANH' . . . 18349 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 3 3 LEU HA H 1 4.251 0.009 . 1 . . . A 3 LEU HA . 18349 1 2 . 1 1 3 3 LEU HB2 H 1 1.510 0.009 . 2 . . . A 3 LEU HB2 . 18349 1 3 . 1 1 3 3 LEU HB3 H 1 1.510 0.009 . 2 . . . A 3 LEU QB . 18349 1 4 . 1 1 3 3 LEU HD11 H 1 0.624 0.009 . . . . . A 3 LEU HD11 . 18349 1 5 . 1 1 3 3 LEU HD12 H 1 0.624 0.009 . . . . . A 3 LEU HD12 . 18349 1 6 . 1 1 3 3 LEU HD13 H 1 0.624 0.009 . . . . . A 3 LEU HD13 . 18349 1 7 . 1 1 3 3 LEU HD21 H 1 0.731 0.009 . . . . . A 3 LEU HD21 . 18349 1 8 . 1 1 3 3 LEU HD22 H 1 0.731 0.009 . . . . . A 3 LEU HD22 . 18349 1 9 . 1 1 3 3 LEU HD23 H 1 0.731 0.009 . . . . . A 3 LEU HD23 . 18349 1 10 . 1 1 3 3 LEU CA C 13 55.335 0.18 . 1 . . . A 3 LEU CA . 18349 1 11 . 1 1 3 3 LEU CB C 13 42.301 0.18 . 1 . . . A 3 LEU CB . 18349 1 12 . 1 1 3 3 LEU CD1 C 13 23.803 0.18 . 2 . . . A 3 LEU CD1 . 18349 1 13 . 1 1 3 3 LEU CD2 C 13 25.038 0.18 . 2 . . . A 3 LEU CD2 . 18349 1 14 . 1 1 4 4 MET H H 1 8.312 0.009 . 1 . . . A 4 MET H . 18349 1 15 . 1 1 4 4 MET HA H 1 4.422 0.009 . 1 . . . A 4 MET HA . 18349 1 16 . 1 1 4 4 MET HB2 H 1 1.923 0.009 . 2 . . . A 4 MET HB2 . 18349 1 17 . 1 1 4 4 MET HB3 H 1 2.049 0.009 . 2 . . . A 4 MET HB3 . 18349 1 18 . 1 1 4 4 MET HG2 H 1 2.435 0.009 . 2 . . . A 4 MET HG2 . 18349 1 19 . 1 1 4 4 MET HG3 H 1 2.435 0.009 . 2 . . . A 4 MET QG . 18349 1 20 . 1 1 4 4 MET HE1 H 1 1.967 0.009 . . . . . A 4 MET HE1 . 18349 1 21 . 1 1 4 4 MET HE2 H 1 1.967 0.009 . . . . . A 4 MET HE2 . 18349 1 22 . 1 1 4 4 MET HE3 H 1 1.967 0.009 . . . . . A 4 MET HE3 . 18349 1 23 . 1 1 4 4 MET CA C 13 55.404 0.18 . 1 . . . A 4 MET CA . 18349 1 24 . 1 1 4 4 MET CB C 13 33.059 0.18 . 1 . . . A 4 MET CB . 18349 1 25 . 1 1 4 4 MET CG C 13 32.123 0.18 . 1 . . . A 4 MET CG . 18349 1 26 . 1 1 4 4 MET CE C 13 17.089 0.18 . 1 . . . A 4 MET CE . 18349 1 27 . 1 1 4 4 MET N N 15 121.761 0.13 . 1 . . . A 4 MET N . 18349 1 28 . 1 1 5 5 ASP H H 1 8.357 0.009 . 1 . . . A 5 ASP H . 18349 1 29 . 1 1 5 5 ASP HA H 1 4.579 0.009 . 1 . . . A 5 ASP HA . 18349 1 30 . 1 1 5 5 ASP HB2 H 1 2.632 0.009 . 2 . . . A 5 ASP HB2 . 18349 1 31 . 1 1 5 5 ASP HB3 H 1 2.724 0.009 . 2 . . . A 5 ASP HB3 . 18349 1 32 . 1 1 5 5 ASP CA C 13 54.696 0.18 . 1 . . . A 5 ASP CA . 18349 1 33 . 1 1 5 5 ASP CB C 13 41.307 0.18 . 1 . . . A 5 ASP CB . 18349 1 34 . 1 1 5 5 ASP N N 15 122.449 0.13 . 1 . . . A 5 ASP N . 18349 1 35 . 1 1 6 6 GLU H H 1 8.485 0.009 . 1 . . . A 6 GLU H . 18349 1 36 . 1 1 6 6 GLU HA H 1 4.274 0.009 . 1 . . . A 6 GLU HA . 18349 1 37 . 1 1 6 6 GLU HB2 H 1 2.099 0.009 . 2 . . . A 6 GLU HB2 . 18349 1 38 . 1 1 6 6 GLU HB3 H 1 1.934 0.009 . 2 . . . A 6 GLU HB3 . 18349 1 39 . 1 1 6 6 GLU HG2 H 1 2.254 0.009 . 2 . . . A 6 GLU HG2 . 18349 1 40 . 1 1 6 6 GLU HG3 H 1 2.254 0.009 . 2 . . . A 6 GLU QG . 18349 1 41 . 1 1 6 6 GLU CA C 13 56.907 0.18 . 1 . . . A 6 GLU CA . 18349 1 42 . 1 1 6 6 GLU CB C 13 30.047 0.18 . 1 . . . A 6 GLU CB . 18349 1 43 . 1 1 6 6 GLU CG C 13 36.513 0.18 . 1 . . . A 6 GLU CG . 18349 1 44 . 1 1 6 6 GLU N N 15 121.856 0.13 . 1 . . . A 6 GLU N . 18349 1 45 . 1 1 7 7 GLY H H 1 8.376 0.009 . 1 . . . A 7 GLY H . 18349 1 46 . 1 1 7 7 GLY HA2 H 1 3.714 0.009 . 2 . . . A 7 GLY HA2 . 18349 1 47 . 1 1 7 7 GLY HA3 H 1 3.714 0.009 . 2 . . . A 7 GLY QA . 18349 1 48 . 1 1 7 7 GLY CA C 13 45.538 0.18 . 1 . . . A 7 GLY CA . 18349 1 49 . 1 1 7 7 GLY N N 15 110.268 0.13 . 1 . . . A 7 GLY N . 18349 1 50 . 1 1 8 8 ALA H H 1 7.902 0.009 . 1 . . . A 8 ALA H . 18349 1 51 . 1 1 8 8 ALA HA H 1 4.523 0.009 . 1 . . . A 8 ALA HA . 18349 1 52 . 1 1 8 8 ALA HB1 H 1 1.199 0.009 . . . . . A 8 ALA HB1 . 18349 1 53 . 1 1 8 8 ALA HB2 H 1 1.199 0.009 . . . . . A 8 ALA HB2 . 18349 1 54 . 1 1 8 8 ALA HB3 H 1 1.199 0.009 . . . . . A 8 ALA HB3 . 18349 1 55 . 1 1 8 8 ALA CA C 13 51.850 0.18 . 1 . . . A 8 ALA CA . 18349 1 56 . 1 1 8 8 ALA CB C 13 20.732 0.18 . 1 . . . A 8 ALA CB . 18349 1 57 . 1 1 8 8 ALA N N 15 123.141 0.13 . 1 . . . A 8 ALA N . 18349 1 58 . 1 1 9 9 VAL H H 1 8.113 0.009 . 1 . . . A 9 VAL H . 18349 1 59 . 1 1 9 9 VAL HA H 1 4.219 0.009 . 1 . . . A 9 VAL HA . 18349 1 60 . 1 1 9 9 VAL HB H 1 1.957 0.009 . 1 . . . A 9 VAL HB . 18349 1 61 . 1 1 9 9 VAL HG11 H 1 0.884 0.009 . . . . . A 9 VAL HG11 . 18349 1 62 . 1 1 9 9 VAL HG12 H 1 0.884 0.009 . . . . . A 9 VAL HG12 . 18349 1 63 . 1 1 9 9 VAL HG13 H 1 0.884 0.009 . . . . . A 9 VAL HG13 . 18349 1 64 . 1 1 9 9 VAL HG21 H 1 0.884 0.009 . . . . . A 9 VAL HG21 . 18349 1 65 . 1 1 9 9 VAL HG22 H 1 0.884 0.009 . . . . . A 9 VAL HG22 . 18349 1 66 . 1 1 9 9 VAL HG23 H 1 0.884 0.009 . . . . . A 9 VAL HG23 . 18349 1 67 . 1 1 9 9 VAL CA C 13 61.901 0.18 . 1 . . . A 9 VAL CA . 18349 1 68 . 1 1 9 9 VAL CB C 13 33.936 0.18 . 1 . . . A 9 VAL CB . 18349 1 69 . 1 1 9 9 VAL CG1 C 13 21.410 0.18 . 2 . . . A 9 VAL CG1 . 18349 1 70 . 1 1 9 9 VAL CG2 C 13 21.409 0.18 . 2 . . . A 9 VAL CG2 . 18349 1 71 . 1 1 9 9 VAL N N 15 120.521 0.13 . 1 . . . A 9 VAL N . 18349 1 72 . 1 1 10 10 LEU H H 1 8.577 0.009 . 1 . . . A 10 LEU H . 18349 1 73 . 1 1 10 10 LEU HA H 1 4.659 0.009 . 1 . . . A 10 LEU HA . 18349 1 74 . 1 1 10 10 LEU HB2 H 1 1.338 0.009 . 2 . . . A 10 LEU HB2 . 18349 1 75 . 1 1 10 10 LEU HB3 H 1 1.446 0.009 . 2 . . . A 10 LEU HB3 . 18349 1 76 . 1 1 10 10 LEU HG H 1 1.073 0.009 . 1 . . . A 10 LEU HG . 18349 1 77 . 1 1 10 10 LEU HD11 H 1 0.572 0.009 . . . . . A 10 LEU HD11 . 18349 1 78 . 1 1 10 10 LEU HD12 H 1 0.572 0.009 . . . . . A 10 LEU HD12 . 18349 1 79 . 1 1 10 10 LEU HD13 H 1 0.572 0.009 . . . . . A 10 LEU HD13 . 18349 1 80 . 1 1 10 10 LEU HD21 H 1 0.487 0.009 . . . . . A 10 LEU HD21 . 18349 1 81 . 1 1 10 10 LEU HD22 H 1 0.487 0.009 . . . . . A 10 LEU HD22 . 18349 1 82 . 1 1 10 10 LEU HD23 H 1 0.487 0.009 . . . . . A 10 LEU HD23 . 18349 1 83 . 1 1 10 10 LEU CA C 13 54.202 0.18 . 1 . . . A 10 LEU CA . 18349 1 84 . 1 1 10 10 LEU CB C 13 43.815 0.18 . 1 . . . A 10 LEU CB . 18349 1 85 . 1 1 10 10 LEU CG C 13 23.825 0.18 . 1 . . . A 10 LEU CG . 18349 1 86 . 1 1 10 10 LEU CD1 C 13 25.020 0.18 . 2 . . . A 10 LEU CD1 . 18349 1 87 . 1 1 10 10 LEU CD2 C 13 25.944 0.18 . 2 . . . A 10 LEU CD2 . 18349 1 88 . 1 1 10 10 LEU N N 15 128.790 0.13 . 1 . . . A 10 LEU N . 18349 1 89 . 1 1 11 11 THR HA H 1 5.349 0.009 . 1 . . . A 11 THR HA . 18349 1 90 . 1 1 11 11 THR HB H 1 3.854 0.009 . 1 . . . A 11 THR HB . 18349 1 91 . 1 1 11 11 THR HG21 H 1 1.096 0.009 . . . . . A 11 THR HG21 . 18349 1 92 . 1 1 11 11 THR HG22 H 1 1.096 0.009 . . . . . A 11 THR HG22 . 18349 1 93 . 1 1 11 11 THR HG23 H 1 1.096 0.009 . . . . . A 11 THR HG23 . 18349 1 94 . 1 1 11 11 THR CA C 13 60.386 0.18 . 1 . . . A 11 THR CA . 18349 1 95 . 1 1 11 11 THR CB C 13 72.001 0.18 . 1 . . . A 11 THR CB . 18349 1 96 . 1 1 11 11 THR CG2 C 13 21.634 0.18 . 1 . . . A 11 THR CG2 . 18349 1 97 . 1 1 12 12 LEU HA H 1 4.461 0.009 . 1 . . . A 12 LEU HA . 18349 1 98 . 1 1 12 12 LEU HB2 H 1 1.530 0.009 . 2 . . . A 12 LEU HB2 . 18349 1 99 . 1 1 12 12 LEU HB3 H 1 1.530 0.009 . 2 . . . A 12 LEU QB . 18349 1 100 . 1 1 12 12 LEU HG H 1 1.549 0.009 . 1 . . . A 12 LEU HG . 18349 1 101 . 1 1 12 12 LEU HD11 H 1 0.596 0.009 . . . . . A 12 LEU HD11 . 18349 1 102 . 1 1 12 12 LEU HD12 H 1 0.596 0.009 . . . . . A 12 LEU HD12 . 18349 1 103 . 1 1 12 12 LEU HD13 H 1 0.596 0.009 . . . . . A 12 LEU HD13 . 18349 1 104 . 1 1 12 12 LEU HD21 H 1 0.524 0.009 . . . . . A 12 LEU HD21 . 18349 1 105 . 1 1 12 12 LEU HD22 H 1 0.524 0.009 . . . . . A 12 LEU HD22 . 18349 1 106 . 1 1 12 12 LEU HD23 H 1 0.524 0.009 . . . . . A 12 LEU HD23 . 18349 1 107 . 1 1 12 12 LEU CA C 13 54.421 0.18 . 1 . . . A 12 LEU CA . 18349 1 108 . 1 1 12 12 LEU CB C 13 43.433 0.18 . 1 . . . A 12 LEU CB . 18349 1 109 . 1 1 12 12 LEU CG C 13 27.506 0.18 . 1 . . . A 12 LEU CG . 18349 1 110 . 1 1 12 12 LEU CD1 C 13 25.274 0.18 . 2 . . . A 12 LEU CD1 . 18349 1 111 . 1 1 12 12 LEU CD2 C 13 24.468 0.18 . 2 . . . A 12 LEU CD2 . 18349 1 112 . 1 1 13 13 ALA H H 1 8.394 0.009 . 1 . . . A 13 ALA H . 18349 1 113 . 1 1 13 13 ALA HA H 1 4.311 0.009 . 1 . . . A 13 ALA HA . 18349 1 114 . 1 1 13 13 ALA HB1 H 1 1.442 0.009 . . . . . A 13 ALA HB1 . 18349 1 115 . 1 1 13 13 ALA HB2 H 1 1.442 0.009 . . . . . A 13 ALA HB2 . 18349 1 116 . 1 1 13 13 ALA HB3 H 1 1.442 0.009 . . . . . A 13 ALA HB3 . 18349 1 117 . 1 1 13 13 ALA CA C 13 51.973 0.18 . 1 . . . A 13 ALA CA . 18349 1 118 . 1 1 13 13 ALA CB C 13 20.258 0.18 . 1 . . . A 13 ALA CB . 18349 1 119 . 1 1 13 13 ALA N N 15 125.942 0.13 . 1 . . . A 13 ALA N . 18349 1 120 . 1 1 14 14 ALA H H 1 8.760 0.009 . 1 . . . A 14 ALA H . 18349 1 121 . 1 1 14 14 ALA HA H 1 4.121 0.009 . 1 . . . A 14 ALA HA . 18349 1 122 . 1 1 14 14 ALA HB1 H 1 1.418 0.009 . . . . . A 14 ALA HB1 . 18349 1 123 . 1 1 14 14 ALA HB2 H 1 1.418 0.009 . . . . . A 14 ALA HB2 . 18349 1 124 . 1 1 14 14 ALA HB3 H 1 1.418 0.009 . . . . . A 14 ALA HB3 . 18349 1 125 . 1 1 14 14 ALA CA C 13 54.677 0.18 . 1 . . . A 14 ALA CA . 18349 1 126 . 1 1 14 14 ALA CB C 13 18.366 0.18 . 1 . . . A 14 ALA CB . 18349 1 127 . 1 1 14 14 ALA N N 15 125.619 0.13 . 1 . . . A 14 ALA N . 18349 1 128 . 1 1 15 15 ASP H H 1 7.835 0.009 . 1 . . . A 15 ASP H . 18349 1 129 . 1 1 15 15 ASP HA H 1 4.482 0.009 . 1 . . . A 15 ASP HA . 18349 1 130 . 1 1 15 15 ASP HB2 H 1 2.534 0.009 . 2 . . . A 15 ASP HB2 . 18349 1 131 . 1 1 15 15 ASP HB3 H 1 2.999 0.009 . 2 . . . A 15 ASP HB3 . 18349 1 132 . 1 1 15 15 ASP CA C 13 52.858 0.18 . 1 . . . A 15 ASP CA . 18349 1 133 . 1 1 15 15 ASP CB C 13 40.064 0.18 . 1 . . . A 15 ASP CB . 18349 1 134 . 1 1 15 15 ASP N N 15 114.584 0.13 . 1 . . . A 15 ASP N . 18349 1 135 . 1 1 16 16 LEU H H 1 8.165 0.009 . 1 . . . A 16 LEU H . 18349 1 136 . 1 1 16 16 LEU HA H 1 3.667 0.009 . 1 . . . A 16 LEU HA . 18349 1 137 . 1 1 16 16 LEU HB2 H 1 1.590 0.009 . 2 . . . A 16 LEU HB2 . 18349 1 138 . 1 1 16 16 LEU HB3 H 1 1.590 0.009 . 2 . . . A 16 LEU QB . 18349 1 139 . 1 1 16 16 LEU HG H 1 1.531 0.009 . 1 . . . A 16 LEU HG . 18349 1 140 . 1 1 16 16 LEU HD11 H 1 0.859 0.009 . . . . . A 16 LEU HD11 . 18349 1 141 . 1 1 16 16 LEU HD12 H 1 0.859 0.009 . . . . . A 16 LEU HD12 . 18349 1 142 . 1 1 16 16 LEU HD13 H 1 0.859 0.009 . . . . . A 16 LEU HD13 . 18349 1 143 . 1 1 16 16 LEU HD21 H 1 0.859 0.009 . . . . . A 16 LEU HD21 . 18349 1 144 . 1 1 16 16 LEU HD22 H 1 0.859 0.009 . . . . . A 16 LEU HD22 . 18349 1 145 . 1 1 16 16 LEU HD23 H 1 0.859 0.009 . . . . . A 16 LEU HD23 . 18349 1 146 . 1 1 16 16 LEU CA C 13 56.389 0.18 . 1 . . . A 16 LEU CA . 18349 1 147 . 1 1 16 16 LEU CB C 13 40.261 0.18 . 1 . . . A 16 LEU CB . 18349 1 148 . 1 1 16 16 LEU CG C 13 27.582 0.18 . 1 . . . A 16 LEU CG . 18349 1 149 . 1 1 16 16 LEU CD1 C 13 24.070 0.18 . 2 . . . A 16 LEU CD1 . 18349 1 150 . 1 1 16 16 LEU CD2 C 13 24.073 0.18 . 2 . . . A 16 LEU CD2 . 18349 1 151 . 1 1 16 16 LEU N N 15 115.700 0.13 . 1 . . . A 16 LEU N . 18349 1 152 . 1 1 17 17 SER H H 1 8.101 0.009 . 1 . . . A 17 SER H . 18349 1 153 . 1 1 17 17 SER HA H 1 4.389 0.009 . 1 . . . A 17 SER HA . 18349 1 154 . 1 1 17 17 SER HB2 H 1 3.859 0.009 . 2 . . . A 17 SER HB2 . 18349 1 155 . 1 1 17 17 SER HB3 H 1 3.728 0.009 . 2 . . . A 17 SER HB3 . 18349 1 156 . 1 1 17 17 SER CA C 13 59.732 0.18 . 1 . . . A 17 SER CA . 18349 1 157 . 1 1 17 17 SER CB C 13 64.092 0.18 . 1 . . . A 17 SER CB . 18349 1 158 . 1 1 17 17 SER N N 15 112.160 0.13 . 1 . . . A 17 SER N . 18349 1 159 . 1 1 18 18 SER H H 1 7.450 0.009 . 1 . . . A 18 SER H . 18349 1 160 . 1 1 18 18 SER HA H 1 5.024 0.009 . 1 . . . A 18 SER HA . 18349 1 161 . 1 1 18 18 SER HB2 H 1 3.823 0.009 . 2 . . . A 18 SER HB2 . 18349 1 162 . 1 1 18 18 SER HB3 H 1 3.711 0.009 . 2 . . . A 18 SER HB3 . 18349 1 163 . 1 1 18 18 SER CA C 13 56.996 0.18 . 1 . . . A 18 SER CA . 18349 1 164 . 1 1 18 18 SER CB C 13 65.549 0.18 . 1 . . . A 18 SER CB . 18349 1 165 . 1 1 18 18 SER N N 15 114.973 0.13 . 1 . . . A 18 SER N . 18349 1 166 . 1 1 19 19 ALA H H 1 8.749 0.009 . 1 . . . A 19 ALA H . 18349 1 167 . 1 1 19 19 ALA HA H 1 4.993 0.009 . 1 . . . A 19 ALA HA . 18349 1 168 . 1 1 19 19 ALA HB1 H 1 1.076 0.009 . . . . . A 19 ALA HB1 . 18349 1 169 . 1 1 19 19 ALA HB2 H 1 1.076 0.009 . . . . . A 19 ALA HB2 . 18349 1 170 . 1 1 19 19 ALA HB3 H 1 1.076 0.009 . . . . . A 19 ALA HB3 . 18349 1 171 . 1 1 19 19 ALA CA C 13 50.637 0.18 . 1 . . . A 19 ALA CA . 18349 1 172 . 1 1 19 19 ALA CB C 13 23.521 0.18 . 1 . . . A 19 ALA CB . 18349 1 173 . 1 1 19 19 ALA N N 15 122.800 0.13 . 1 . . . A 19 ALA N . 18349 1 174 . 1 1 20 20 THR H H 1 8.568 0.009 . 1 . . . A 20 THR H . 18349 1 175 . 1 1 20 20 THR HA H 1 5.016 0.009 . 1 . . . A 20 THR HA . 18349 1 176 . 1 1 20 20 THR HB H 1 3.873 0.009 . 1 . . . A 20 THR HB . 18349 1 177 . 1 1 20 20 THR HG21 H 1 1.074 0.009 . . . . . A 20 THR HG21 . 18349 1 178 . 1 1 20 20 THR HG22 H 1 1.074 0.009 . . . . . A 20 THR HG22 . 18349 1 179 . 1 1 20 20 THR HG23 H 1 1.074 0.009 . . . . . A 20 THR HG23 . 18349 1 180 . 1 1 20 20 THR CA C 13 61.219 0.18 . 1 . . . A 20 THR CA . 18349 1 181 . 1 1 20 20 THR CB C 13 71.159 0.18 . 1 . . . A 20 THR CB . 18349 1 182 . 1 1 20 20 THR CG2 C 13 21.764 0.18 . 1 . . . A 20 THR CG2 . 18349 1 183 . 1 1 20 20 THR N N 15 115.578 0.13 . 1 . . . A 20 THR N . 18349 1 184 . 1 1 21 21 LEU H H 1 8.877 0.009 . 1 . . . A 21 LEU H . 18349 1 185 . 1 1 21 21 LEU HA H 1 4.721 0.009 . 1 . . . A 21 LEU HA . 18349 1 186 . 1 1 21 21 LEU HB2 H 1 1.371 0.009 . 2 . . . A 21 LEU HB2 . 18349 1 187 . 1 1 21 21 LEU HB3 H 1 1.152 0.009 . 2 . . . A 21 LEU HB3 . 18349 1 188 . 1 1 21 21 LEU HG H 1 1.249 0.009 . 1 . . . A 21 LEU HG . 18349 1 189 . 1 1 21 21 LEU HD11 H 1 0.521 0.009 . . . . . A 21 LEU HD11 . 18349 1 190 . 1 1 21 21 LEU HD12 H 1 0.521 0.009 . . . . . A 21 LEU HD12 . 18349 1 191 . 1 1 21 21 LEU HD13 H 1 0.521 0.009 . . . . . A 21 LEU HD13 . 18349 1 192 . 1 1 21 21 LEU HD21 H 1 0.521 0.009 . . . . . A 21 LEU HD21 . 18349 1 193 . 1 1 21 21 LEU HD22 H 1 0.521 0.009 . . . . . A 21 LEU HD22 . 18349 1 194 . 1 1 21 21 LEU HD23 H 1 0.521 0.009 . . . . . A 21 LEU HD23 . 18349 1 195 . 1 1 21 21 LEU CA C 13 53.679 0.18 . 1 . . . A 21 LEU CA . 18349 1 196 . 1 1 21 21 LEU CB C 13 44.900 0.18 . 1 . . . A 21 LEU CB . 18349 1 197 . 1 1 21 21 LEU CG C 13 27.169 0.18 . 1 . . . A 21 LEU CG . 18349 1 198 . 1 1 21 21 LEU CD1 C 13 25.542 0.18 . 2 . . . A 21 LEU CD1 . 18349 1 199 . 1 1 21 21 LEU N N 15 126.796 0.13 . 1 . . . A 21 LEU N . 18349 1 200 . 1 1 22 22 ASP H H 1 8.466 0.009 . 1 . . . A 22 ASP H . 18349 1 201 . 1 1 22 22 ASP HA H 1 4.757 0.009 . 1 . . . A 22 ASP HA . 18349 1 202 . 1 1 22 22 ASP HB2 H 1 2.407 0.009 . 2 . . . A 22 ASP HB2 . 18349 1 203 . 1 1 22 22 ASP HB3 H 1 2.557 0.009 . 2 . . . A 22 ASP HB3 . 18349 1 204 . 1 1 22 22 ASP CA C 13 54.017 0.18 . 1 . . . A 22 ASP CA . 18349 1 205 . 1 1 22 22 ASP CB C 13 41.983 0.18 . 1 . . . A 22 ASP CB . 18349 1 206 . 1 1 22 22 ASP N N 15 124.700 0.13 . 1 . . . A 22 ASP N . 18349 1 207 . 1 1 23 23 ILE H H 1 7.825 0.009 . 1 . . . A 23 ILE H . 18349 1 208 . 1 1 23 23 ILE HA H 1 4.031 0.009 . 1 . . . A 23 ILE HA . 18349 1 209 . 1 1 23 23 ILE HB H 1 1.552 0.009 . 1 . . . A 23 ILE HB . 18349 1 210 . 1 1 23 23 ILE HG12 H 1 0.559 0.009 . 2 . . . A 23 ILE HG12 . 18349 1 211 . 1 1 23 23 ILE HG13 H 1 0.891 0.009 . 2 . . . A 23 ILE HG13 . 18349 1 212 . 1 1 23 23 ILE HG21 H 1 0.674 0.009 . . . . . A 23 ILE HG21 . 18349 1 213 . 1 1 23 23 ILE HG22 H 1 0.674 0.009 . . . . . A 23 ILE HG22 . 18349 1 214 . 1 1 23 23 ILE HG23 H 1 0.674 0.009 . . . . . A 23 ILE HG23 . 18349 1 215 . 1 1 23 23 ILE HD11 H 1 -0.026 0.009 . . . . . A 23 ILE HD11 . 18349 1 216 . 1 1 23 23 ILE HD12 H 1 -0.026 0.009 . . . . . A 23 ILE HD12 . 18349 1 217 . 1 1 23 23 ILE HD13 H 1 -0.026 0.009 . . . . . A 23 ILE HD13 . 18349 1 218 . 1 1 23 23 ILE CA C 13 59.629 0.18 . 1 . . . A 23 ILE CA . 18349 1 219 . 1 1 23 23 ILE CB C 13 38.062 0.18 . 1 . . . A 23 ILE CB . 18349 1 220 . 1 1 23 23 ILE CG1 C 13 27.089 0.18 . 1 . . . A 23 ILE CG1 . 18349 1 221 . 1 1 23 23 ILE CG2 C 13 17.612 0.18 . 1 . . . A 23 ILE CG2 . 18349 1 222 . 1 1 23 23 ILE CD1 C 13 11.194 0.18 . 1 . . . A 23 ILE CD1 . 18349 1 223 . 1 1 23 23 ILE N N 15 124.629 0.13 . 1 . . . A 23 ILE N . 18349 1 224 . 1 1 24 24 SER H H 1 8.637 0.009 . 1 . . . A 24 SER H . 18349 1 225 . 1 1 24 24 SER HA H 1 4.398 0.009 . 1 . . . A 24 SER HA . 18349 1 226 . 1 1 24 24 SER HB2 H 1 4.106 0.009 . 2 . . . A 24 SER HB2 . 18349 1 227 . 1 1 24 24 SER HB3 H 1 4.336 0.009 . 2 . . . A 24 SER HB3 . 18349 1 228 . 1 1 24 24 SER CA C 13 58.184 0.18 . 1 . . . A 24 SER CA . 18349 1 229 . 1 1 24 24 SER CB C 13 64.557 0.18 . 1 . . . A 24 SER CB . 18349 1 230 . 1 1 24 24 SER N N 15 125.361 0.13 . 1 . . . A 24 SER N . 18349 1 231 . 1 1 25 25 LYS H H 1 8.840 0.009 . 1 . . . A 25 LYS H . 18349 1 232 . 1 1 25 25 LYS HA H 1 4.181 0.009 . 1 . . . A 25 LYS HA . 18349 1 233 . 1 1 25 25 LYS HB2 H 1 1.841 0.009 . 2 . . . A 25 LYS HB2 . 18349 1 234 . 1 1 25 25 LYS HB3 H 1 1.788 0.009 . 2 . . . A 25 LYS HB3 . 18349 1 235 . 1 1 25 25 LYS HG2 H 1 1.499 0.009 . 2 . . . A 25 LYS HG2 . 18349 1 236 . 1 1 25 25 LYS HG3 H 1 1.499 0.009 . 2 . . . A 25 LYS QG . 18349 1 237 . 1 1 25 25 LYS HD2 H 1 1.685 0.009 . 2 . . . A 25 LYS HD2 . 18349 1 238 . 1 1 25 25 LYS HD3 H 1 1.685 0.009 . 2 . . . A 25 LYS QD . 18349 1 239 . 1 1 25 25 LYS HE2 H 1 2.989 0.009 . 2 . . . A 25 LYS HE2 . 18349 1 240 . 1 1 25 25 LYS HE3 H 1 2.989 0.009 . 2 . . . A 25 LYS QE . 18349 1 241 . 1 1 25 25 LYS CA C 13 58.427 0.18 . 1 . . . A 25 LYS CA . 18349 1 242 . 1 1 25 25 LYS CB C 13 32.042 0.18 . 1 . . . A 25 LYS CB . 18349 1 243 . 1 1 25 25 LYS CG C 13 24.879 0.18 . 1 . . . A 25 LYS CG . 18349 1 244 . 1 1 25 25 LYS CD C 13 28.791 0.18 . 1 . . . A 25 LYS CD . 18349 1 245 . 1 1 25 25 LYS CE C 13 42.249 0.18 . 1 . . . A 25 LYS CE . 18349 1 246 . 1 1 25 25 LYS N N 15 124.630 0.13 . 1 . . . A 25 LYS N . 18349 1 247 . 1 1 26 26 GLN H H 1 8.330 0.009 . 1 . . . A 26 GLN H . 18349 1 248 . 1 1 26 26 GLN HA H 1 4.066 0.009 . 1 . . . A 26 GLN HA . 18349 1 249 . 1 1 26 26 GLN HB2 H 1 1.760 0.009 . 2 . . . A 26 GLN HB2 . 18349 1 250 . 1 1 26 26 GLN HB3 H 1 1.867 0.009 . 2 . . . A 26 GLN HB3 . 18349 1 251 . 1 1 26 26 GLN HG2 H 1 2.209 0.009 . 2 . . . A 26 GLN HG2 . 18349 1 252 . 1 1 26 26 GLN HG3 H 1 2.238 0.009 . 2 . . . A 26 GLN HG3 . 18349 1 253 . 1 1 26 26 GLN HE21 H 1 7.381 0.009 . 2 . . . A 26 GLN HE21 . 18349 1 254 . 1 1 26 26 GLN HE22 H 1 6.893 0.009 . 2 . . . A 26 GLN HE22 . 18349 1 255 . 1 1 26 26 GLN CA C 13 59.321 0.18 . 1 . . . A 26 GLN CA . 18349 1 256 . 1 1 26 26 GLN CB C 13 28.773 0.18 . 1 . . . A 26 GLN CB . 18349 1 257 . 1 1 26 26 GLN CG C 13 34.544 0.18 . 1 . . . A 26 GLN CG . 18349 1 258 . 1 1 26 26 GLN N N 15 117.379 0.13 . 1 . . . A 26 GLN N . 18349 1 259 . 1 1 26 26 GLN NE2 N 15 112.522 0.13 . 1 . . . A 26 GLN NE2 . 18349 1 260 . 1 1 27 27 TRP H H 1 7.434 0.009 . 1 . . . A 27 TRP H . 18349 1 261 . 1 1 27 27 TRP HA H 1 4.561 0.009 . 1 . . . A 27 TRP HA . 18349 1 262 . 1 1 27 27 TRP HB2 H 1 3.340 0.009 . 2 . . . A 27 TRP HB2 . 18349 1 263 . 1 1 27 27 TRP HB3 H 1 3.278 0.009 . 2 . . . A 27 TRP HB3 . 18349 1 264 . 1 1 27 27 TRP HD1 H 1 7.365 0.009 . 1 . . . A 27 TRP HD1 . 18349 1 265 . 1 1 27 27 TRP HE1 H 1 10.245 0.009 . 1 . . . A 27 TRP HE1 . 18349 1 266 . 1 1 27 27 TRP HE3 H 1 7.576 0.009 . 1 . . . A 27 TRP HE3 . 18349 1 267 . 1 1 27 27 TRP HZ2 H 1 7.325 0.009 . 1 . . . A 27 TRP HZ2 . 18349 1 268 . 1 1 27 27 TRP HZ3 H 1 6.859 0.009 . 1 . . . A 27 TRP HZ3 . 18349 1 269 . 1 1 27 27 TRP HH2 H 1 6.710 0.009 . 1 . . . A 27 TRP HH2 . 18349 1 270 . 1 1 27 27 TRP CA C 13 60.228 0.18 . 1 . . . A 27 TRP CA . 18349 1 271 . 1 1 27 27 TRP CB C 13 30.121 0.18 . 1 . . . A 27 TRP CB . 18349 1 272 . 1 1 27 27 TRP CD1 C 13 127.577 0.18 . 1 . . . A 27 TRP CD1 . 18349 1 273 . 1 1 27 27 TRP CE3 C 13 119.558 0.18 . 1 . . . A 27 TRP CE3 . 18349 1 274 . 1 1 27 27 TRP CZ2 C 13 114.947 0.18 . 1 . . . A 27 TRP CZ2 . 18349 1 275 . 1 1 27 27 TRP CZ3 C 13 121.991 0.18 . 1 . . . A 27 TRP CZ3 . 18349 1 276 . 1 1 27 27 TRP CH2 C 13 123.308 0.18 . 1 . . . A 27 TRP CH2 . 18349 1 277 . 1 1 27 27 TRP N N 15 118.412 0.13 . 1 . . . A 27 TRP N . 18349 1 278 . 1 1 27 27 TRP NE1 N 15 129.932 0.13 . 1 . . . A 27 TRP NE1 . 18349 1 279 . 1 1 28 28 SER H H 1 9.003 0.009 . 1 . . . A 28 SER H . 18349 1 280 . 1 1 28 28 SER HA H 1 4.009 0.009 . 1 . . . A 28 SER HA . 18349 1 281 . 1 1 28 28 SER HB2 H 1 4.172 0.009 . 2 . . . A 28 SER HB2 . 18349 1 282 . 1 1 28 28 SER HB3 H 1 4.172 0.009 . 2 . . . A 28 SER QB . 18349 1 283 . 1 1 28 28 SER CA C 13 62.130 0.18 . 1 . . . A 28 SER CA . 18349 1 284 . 1 1 28 28 SER CB C 13 62.273 0.18 . 1 . . . A 28 SER CB . 18349 1 285 . 1 1 28 28 SER N N 15 117.604 0.13 . 1 . . . A 28 SER N . 18349 1 286 . 1 1 29 29 ASN H H 1 8.653 0.009 . 1 . . . A 29 ASN H . 18349 1 287 . 1 1 29 29 ASN HA H 1 4.595 0.009 . 1 . . . A 29 ASN HA . 18349 1 288 . 1 1 29 29 ASN HB2 H 1 3.006 0.009 . 2 . . . A 29 ASN HB2 . 18349 1 289 . 1 1 29 29 ASN HB3 H 1 2.664 0.009 . 2 . . . A 29 ASN HB3 . 18349 1 290 . 1 1 29 29 ASN HD21 H 1 7.638 0.009 . 2 . . . A 29 ASN HD21 . 18349 1 291 . 1 1 29 29 ASN HD22 H 1 6.900 0.009 . 2 . . . A 29 ASN HD22 . 18349 1 292 . 1 1 29 29 ASN CA C 13 55.824 0.18 . 1 . . . A 29 ASN CA . 18349 1 293 . 1 1 29 29 ASN CB C 13 38.163 0.18 . 1 . . . A 29 ASN CB . 18349 1 294 . 1 1 29 29 ASN N N 15 121.383 0.13 . 1 . . . A 29 ASN N . 18349 1 295 . 1 1 29 29 ASN ND2 N 15 112.333 0.13 . 1 . . . A 29 ASN ND2 . 18349 1 296 . 1 1 30 30 VAL CA C 13 56.222 0.18 . 1 . . . A 30 VAL CA . 18349 1 297 . 1 1 30 30 VAL CB C 13 29.494 0.18 . 1 . . . A 30 VAL CB . 18349 1 298 . 1 1 30 30 VAL CG1 C 13 21.907 0.18 . 2 . . . A 30 VAL CG1 . 18349 1 299 . 1 1 30 30 VAL CG2 C 13 22.908 0.18 . 2 . . . A 30 VAL CG2 . 18349 1 300 . 1 1 31 31 PHE H H 1 8.551 0.009 . 1 . . . A 31 PHE H . 18349 1 301 . 1 1 31 31 PHE HA H 1 3.517 0.009 . 1 . . . A 31 PHE HA . 18349 1 302 . 1 1 31 31 PHE HB2 H 1 3.030 0.009 . 2 . . . A 31 PHE HB2 . 18349 1 303 . 1 1 31 31 PHE HB3 H 1 3.455 0.009 . 2 . . . A 31 PHE HB3 . 18349 1 304 . 1 1 31 31 PHE HD1 H 1 6.579 0.009 . 3 . . . A 31 PHE HD1 . 18349 1 305 . 1 1 31 31 PHE HD2 H 1 6.625 0.009 . 3 . . . A 31 PHE HD2 . 18349 1 306 . 1 1 31 31 PHE CA C 13 62.835 0.18 . 1 . . . A 31 PHE CA . 18349 1 307 . 1 1 31 31 PHE CB C 13 40.156 0.18 . 1 . . . A 31 PHE CB . 18349 1 308 . 1 1 31 31 PHE CD1 C 13 132.405 0.18 . 3 . . . A 31 PHE CD1 . 18349 1 309 . 1 1 31 31 PHE CD2 C 13 132.410 0.18 . 3 . . . A 31 PHE CD2 . 18349 1 310 . 1 1 31 31 PHE N N 15 121.135 0.13 . 1 . . . A 31 PHE N . 18349 1 311 . 1 1 32 32 ASN H H 1 8.651 0.009 . 1 . . . A 32 ASN H . 18349 1 312 . 1 1 32 32 ASN HA H 1 4.368 0.009 . 1 . . . A 32 ASN HA . 18349 1 313 . 1 1 32 32 ASN HB2 H 1 2.919 0.009 . 2 . . . A 32 ASN HB2 . 18349 1 314 . 1 1 32 32 ASN HB3 H 1 2.919 0.009 . 2 . . . A 32 ASN QB . 18349 1 315 . 1 1 32 32 ASN HD21 H 1 6.904 0.009 . 2 . . . A 32 ASN HD21 . 18349 1 316 . 1 1 32 32 ASN HD22 H 1 7.613 0.009 . 2 . . . A 32 ASN HD22 . 18349 1 317 . 1 1 32 32 ASN CA C 13 57.015 0.18 . 1 . . . A 32 ASN CA . 18349 1 318 . 1 1 32 32 ASN CB C 13 38.839 0.18 . 1 . . . A 32 ASN CB . 18349 1 319 . 1 1 32 32 ASN N N 15 117.099 0.13 . 1 . . . A 32 ASN N . 18349 1 320 . 1 1 32 32 ASN ND2 N 15 114.446 0.13 . 1 . . . A 32 ASN ND2 . 18349 1 321 . 1 1 33 33 ILE H H 1 7.711 0.009 . 1 . . . A 33 ILE H . 18349 1 322 . 1 1 33 33 ILE HA H 1 3.789 0.009 . 1 . . . A 33 ILE HA . 18349 1 323 . 1 1 33 33 ILE HB H 1 1.678 0.009 . 1 . . . A 33 ILE HB . 18349 1 324 . 1 1 33 33 ILE HG12 H 1 1.670 0.009 . 2 . . . A 33 ILE HG12 . 18349 1 325 . 1 1 33 33 ILE HG13 H 1 1.160 0.009 . 2 . . . A 33 ILE HG13 . 18349 1 326 . 1 1 33 33 ILE HG21 H 1 0.736 0.009 . . . . . A 33 ILE HG21 . 18349 1 327 . 1 1 33 33 ILE HG22 H 1 0.736 0.009 . . . . . A 33 ILE HG22 . 18349 1 328 . 1 1 33 33 ILE HG23 H 1 0.736 0.009 . . . . . A 33 ILE HG23 . 18349 1 329 . 1 1 33 33 ILE HD11 H 1 0.797 0.009 . . . . . A 33 ILE HD11 . 18349 1 330 . 1 1 33 33 ILE HD12 H 1 0.797 0.009 . . . . . A 33 ILE HD12 . 18349 1 331 . 1 1 33 33 ILE HD13 H 1 0.797 0.009 . . . . . A 33 ILE HD13 . 18349 1 332 . 1 1 33 33 ILE CA C 13 64.520 0.18 . 1 . . . A 33 ILE CA . 18349 1 333 . 1 1 33 33 ILE CB C 13 38.339 0.18 . 1 . . . A 33 ILE CB . 18349 1 334 . 1 1 33 33 ILE CG1 C 13 29.455 0.18 . 1 . . . A 33 ILE CG1 . 18349 1 335 . 1 1 33 33 ILE CG2 C 13 18.285 0.18 . 1 . . . A 33 ILE CG2 . 18349 1 336 . 1 1 33 33 ILE CD1 C 13 13.829 0.18 . 1 . . . A 33 ILE CD1 . 18349 1 337 . 1 1 33 33 ILE N N 15 120.541 0.13 . 1 . . . A 33 ILE N . 18349 1 338 . 1 1 34 34 LEU H H 1 8.126 0.009 . 1 . . . A 34 LEU H . 18349 1 339 . 1 1 34 34 LEU HA H 1 3.858 0.009 . 1 . . . A 34 LEU HA . 18349 1 340 . 1 1 34 34 LEU HB2 H 1 0.703 0.009 . 2 . . . A 34 LEU HB2 . 18349 1 341 . 1 1 34 34 LEU HB3 H 1 1.610 0.009 . 2 . . . A 34 LEU HB3 . 18349 1 342 . 1 1 34 34 LEU HG H 1 1.425 0.009 . 1 . . . A 34 LEU HG . 18349 1 343 . 1 1 34 34 LEU HD11 H 1 0.051 0.009 . . . . . A 34 LEU HD11 . 18349 1 344 . 1 1 34 34 LEU HD12 H 1 0.051 0.009 . . . . . A 34 LEU HD12 . 18349 1 345 . 1 1 34 34 LEU HD13 H 1 0.051 0.009 . . . . . A 34 LEU HD13 . 18349 1 346 . 1 1 34 34 LEU HD21 H 1 -0.424 0.009 . . . . . A 34 LEU HD21 . 18349 1 347 . 1 1 34 34 LEU HD22 H 1 -0.424 0.009 . . . . . A 34 LEU HD22 . 18349 1 348 . 1 1 34 34 LEU HD23 H 1 -0.424 0.009 . . . . . A 34 LEU HD23 . 18349 1 349 . 1 1 34 34 LEU CA C 13 57.819 0.18 . 1 . . . A 34 LEU CA . 18349 1 350 . 1 1 34 34 LEU CB C 13 40.665 0.18 . 1 . . . A 34 LEU CB . 18349 1 351 . 1 1 34 34 LEU CG C 13 26.278 0.18 . 1 . . . A 34 LEU CG . 18349 1 352 . 1 1 34 34 LEU CD1 C 13 27.338 0.18 . 2 . . . A 34 LEU CD1 . 18349 1 353 . 1 1 34 34 LEU CD2 C 13 21.266 0.18 . 2 . . . A 34 LEU CD2 . 18349 1 354 . 1 1 34 34 LEU N N 15 121.099 0.13 . 1 . . . A 34 LEU N . 18349 1 355 . 1 1 35 35 ARG H H 1 8.756 0.009 . 1 . . . A 35 ARG H . 18349 1 356 . 1 1 35 35 ARG HA H 1 3.856 0.009 . 1 . . . A 35 ARG HA . 18349 1 357 . 1 1 35 35 ARG HB2 H 1 1.360 0.009 . 2 . . . A 35 ARG HB2 . 18349 1 358 . 1 1 35 35 ARG HB3 H 1 2.014 0.009 . 2 . . . A 35 ARG HB3 . 18349 1 359 . 1 1 35 35 ARG HG3 H 1 1.655 0.009 . 2 . . . A 35 ARG HG3 . 18349 1 360 . 1 1 35 35 ARG HD2 H 1 3.155 0.009 . 2 . . . A 35 ARG HD2 . 18349 1 361 . 1 1 35 35 ARG HD3 H 1 3.358 0.009 . 2 . . . A 35 ARG HD3 . 18349 1 362 . 1 1 35 35 ARG HE H 1 7.483 0.009 . 1 . . . A 35 ARG HE . 18349 1 363 . 1 1 35 35 ARG CA C 13 59.121 0.18 . 1 . . . A 35 ARG CA . 18349 1 364 . 1 1 35 35 ARG CB C 13 29.849 0.18 . 1 . . . A 35 ARG CB . 18349 1 365 . 1 1 35 35 ARG CG C 13 26.274 0.18 . 1 . . . A 35 ARG CG . 18349 1 366 . 1 1 35 35 ARG CD C 13 44.157 0.18 . 1 . . . A 35 ARG CD . 18349 1 367 . 1 1 35 35 ARG N N 15 122.638 0.13 . 1 . . . A 35 ARG N . 18349 1 368 . 1 1 35 35 ARG NE N 15 84.209 0.13 . 1 . . . A 35 ARG NE . 18349 1 369 . 1 1 36 36 GLU H H 1 8.423 0.009 . 1 . . . A 36 GLU H . 18349 1 370 . 1 1 36 36 GLU HA H 1 4.110 0.009 . 1 . . . A 36 GLU HA . 18349 1 371 . 1 1 36 36 GLU HB2 H 1 2.075 0.009 . 2 . . . A 36 GLU HB2 . 18349 1 372 . 1 1 36 36 GLU HB3 H 1 2.075 0.009 . 2 . . . A 36 GLU QB . 18349 1 373 . 1 1 36 36 GLU HG2 H 1 2.375 0.009 . 2 . . . A 36 GLU HG2 . 18349 1 374 . 1 1 36 36 GLU HG3 H 1 2.375 0.009 . 2 . . . A 36 GLU QG . 18349 1 375 . 1 1 36 36 GLU CA C 13 58.210 0.18 . 1 . . . A 36 GLU CA . 18349 1 376 . 1 1 36 36 GLU CB C 13 29.729 0.18 . 1 . . . A 36 GLU CB . 18349 1 377 . 1 1 36 36 GLU CG C 13 36.351 0.18 . 1 . . . A 36 GLU CG . 18349 1 378 . 1 1 36 36 GLU N N 15 120.533 0.13 . 1 . . . A 36 GLU N . 18349 1 379 . 1 1 37 37 ASN H H 1 7.163 0.009 . 1 . . . A 37 ASN H . 18349 1 380 . 1 1 37 37 ASN HA H 1 4.838 0.009 . 1 . . . A 37 ASN HA . 18349 1 381 . 1 1 37 37 ASN HB2 H 1 3.097 0.009 . 2 . . . A 37 ASN HB2 . 18349 1 382 . 1 1 37 37 ASN HB3 H 1 2.504 0.009 . 2 . . . A 37 ASN HB3 . 18349 1 383 . 1 1 37 37 ASN HD21 H 1 7.616 0.009 . 2 . . . A 37 ASN HD21 . 18349 1 384 . 1 1 37 37 ASN HD22 H 1 8.314 0.009 . 2 . . . A 37 ASN HD22 . 18349 1 385 . 1 1 37 37 ASN CA C 13 53.744 0.18 . 1 . . . A 37 ASN CA . 18349 1 386 . 1 1 37 37 ASN CB C 13 40.546 0.18 . 1 . . . A 37 ASN CB . 18349 1 387 . 1 1 37 37 ASN N N 15 115.321 0.13 . 1 . . . A 37 ASN N . 18349 1 388 . 1 1 37 37 ASN ND2 N 15 119.631 0.13 . 1 . . . A 37 ASN ND2 . 18349 1 389 . 1 1 38 38 ASP H H 1 7.542 0.009 . 1 . . . A 38 ASP H . 18349 1 390 . 1 1 38 38 ASP HA H 1 4.685 0.009 . 1 . . . A 38 ASP HA . 18349 1 391 . 1 1 38 38 ASP HB2 H 1 2.892 0.009 . 2 . . . A 38 ASP HB2 . 18349 1 392 . 1 1 38 38 ASP HB3 H 1 2.581 0.009 . 2 . . . A 38 ASP HB3 . 18349 1 393 . 1 1 38 38 ASP CA C 13 56.511 0.18 . 1 . . . A 38 ASP CA . 18349 1 394 . 1 1 38 38 ASP CB C 13 38.202 0.18 . 1 . . . A 38 ASP CB . 18349 1 395 . 1 1 38 38 ASP N N 15 111.921 0.13 . 1 . . . A 38 ASP N . 18349 1 396 . 1 1 39 39 PHE H H 1 8.078 0.009 . 1 . . . A 39 PHE H . 18349 1 397 . 1 1 39 39 PHE HA H 1 4.584 0.009 . 1 . . . A 39 PHE HA . 18349 1 398 . 1 1 39 39 PHE HB2 H 1 3.313 0.009 . 2 . . . A 39 PHE HB2 . 18349 1 399 . 1 1 39 39 PHE HB3 H 1 2.547 0.009 . 2 . . . A 39 PHE HB3 . 18349 1 400 . 1 1 39 39 PHE HD1 H 1 6.901 0.009 . 3 . . . A 39 PHE HD1 . 18349 1 401 . 1 1 39 39 PHE HD2 H 1 6.901 0.009 . 3 . . . A 39 PHE HD2 . 18349 1 402 . 1 1 39 39 PHE HE1 H 1 7.244 0.009 . 3 . . . A 39 PHE HE1 . 18349 1 403 . 1 1 39 39 PHE HE2 H 1 7.244 0.009 . 3 . . . A 39 PHE HE2 . 18349 1 404 . 1 1 39 39 PHE CA C 13 59.418 0.18 . 1 . . . A 39 PHE CA . 18349 1 405 . 1 1 39 39 PHE CB C 13 38.965 0.18 . 1 . . . A 39 PHE CB . 18349 1 406 . 1 1 39 39 PHE CD1 C 13 132.884 0.18 . 3 . . . A 39 PHE CD1 . 18349 1 407 . 1 1 39 39 PHE CE1 C 13 131.249 0.18 . 3 . . . A 39 PHE CE1 . 18349 1 408 . 1 1 39 39 PHE N N 15 114.378 0.13 . 1 . . . A 39 PHE N . 18349 1 409 . 1 1 40 40 GLU H H 1 8.733 0.009 . 1 . . . A 40 GLU H . 18349 1 410 . 1 1 40 40 GLU HA H 1 3.908 0.009 . 1 . . . A 40 GLU HA . 18349 1 411 . 1 1 40 40 GLU HB2 H 1 2.042 0.009 . 2 . . . A 40 GLU HB2 . 18349 1 412 . 1 1 40 40 GLU HB3 H 1 2.042 0.009 . 2 . . . A 40 GLU QB . 18349 1 413 . 1 1 40 40 GLU CA C 13 56.255 0.18 . 1 . . . A 40 GLU CA . 18349 1 414 . 1 1 40 40 GLU CB C 13 28.726 0.18 . 1 . . . A 40 GLU CB . 18349 1 415 . 1 1 40 40 GLU N N 15 115.531 0.13 . 1 . . . A 40 GLU N . 18349 1 416 . 1 1 41 41 PRO HA H 1 5.293 0.009 . 1 . . . A 41 PRO HA . 18349 1 417 . 1 1 41 41 PRO HB2 H 1 1.473 0.009 . 2 . . . A 41 PRO HB2 . 18349 1 418 . 1 1 41 41 PRO HB3 H 1 1.473 0.009 . 2 . . . A 41 PRO QB . 18349 1 419 . 1 1 41 41 PRO HG2 H 1 1.291 0.009 . 2 . . . A 41 PRO HG2 . 18349 1 420 . 1 1 41 41 PRO HG3 H 1 0.906 0.009 . 2 . . . A 41 PRO HG3 . 18349 1 421 . 1 1 41 41 PRO HD2 H 1 3.391 0.009 . 2 . . . A 41 PRO HD2 . 18349 1 422 . 1 1 41 41 PRO HD3 H 1 2.777 0.009 . 2 . . . A 41 PRO HD3 . 18349 1 423 . 1 1 41 41 PRO CA C 13 61.899 0.18 . 1 . . . A 41 PRO CA . 18349 1 424 . 1 1 41 41 PRO CB C 13 33.151 0.18 . 1 . . . A 41 PRO CB . 18349 1 425 . 1 1 41 41 PRO CG C 13 26.504 0.18 . 1 . . . A 41 PRO CG . 18349 1 426 . 1 1 41 41 PRO CD C 13 50.146 0.18 . 1 . . . A 41 PRO CD . 18349 1 427 . 1 1 42 42 LYS H H 1 9.144 0.009 . 1 . . . A 42 LYS H . 18349 1 428 . 1 1 42 42 LYS HA H 1 4.700 0.009 . 1 . . . A 42 LYS HA . 18349 1 429 . 1 1 42 42 LYS HB2 H 1 1.666 0.009 . 2 . . . A 42 LYS HB2 . 18349 1 430 . 1 1 42 42 LYS HB3 H 1 1.666 0.009 . 2 . . . A 42 LYS QB . 18349 1 431 . 1 1 42 42 LYS HG2 H 1 0.875 0.009 . 2 . . . A 42 LYS HG2 . 18349 1 432 . 1 1 42 42 LYS HG3 H 1 0.875 0.009 . 2 . . . A 42 LYS QG . 18349 1 433 . 1 1 42 42 LYS HD2 H 1 0.639 0.009 . 2 . . . A 42 LYS HD2 . 18349 1 434 . 1 1 42 42 LYS HD3 H 1 0.639 0.009 . 2 . . . A 42 LYS QD . 18349 1 435 . 1 1 42 42 LYS CA C 13 55.476 0.18 . 1 . . . A 42 LYS CA . 18349 1 436 . 1 1 42 42 LYS CB C 13 36.723 0.18 . 1 . . . A 42 LYS CB . 18349 1 437 . 1 1 42 42 LYS CG C 13 21.687 0.18 . 1 . . . A 42 LYS CG . 18349 1 438 . 1 1 42 42 LYS CD C 13 26.367 0.18 . 1 . . . A 42 LYS CD . 18349 1 439 . 1 1 42 42 LYS N N 15 118.255 0.13 . 1 . . . A 42 LYS N . 18349 1 440 . 1 1 43 43 PHE H H 1 9.085 0.009 . 1 . . . A 43 PHE H . 18349 1 441 . 1 1 43 43 PHE HA H 1 5.445 0.009 . 1 . . . A 43 PHE HA . 18349 1 442 . 1 1 43 43 PHE HB2 H 1 2.656 0.009 . 2 . . . A 43 PHE HB2 . 18349 1 443 . 1 1 43 43 PHE HB3 H 1 2.612 0.009 . 2 . . . A 43 PHE HB3 . 18349 1 444 . 1 1 43 43 PHE HD1 H 1 6.830 0.009 . 3 . . . A 43 PHE HD1 . 18349 1 445 . 1 1 43 43 PHE HD2 H 1 6.830 0.009 . 3 . . . A 43 PHE HD2 . 18349 1 446 . 1 1 43 43 PHE HE1 H 1 6.604 0.009 . 3 . . . A 43 PHE HE1 . 18349 1 447 . 1 1 43 43 PHE HE2 H 1 6.604 0.009 . 3 . . . A 43 PHE HE2 . 18349 1 448 . 1 1 43 43 PHE CA C 13 57.496 0.18 . 1 . . . A 43 PHE CA . 18349 1 449 . 1 1 43 43 PHE CB C 13 41.129 0.18 . 1 . . . A 43 PHE CB . 18349 1 450 . 1 1 43 43 PHE CD2 C 13 131.747 0.18 . 3 . . . A 43 PHE CD2 . 18349 1 451 . 1 1 43 43 PHE CE2 C 13 131.410 0.18 . 3 . . . A 43 PHE CE2 . 18349 1 452 . 1 1 43 43 PHE N N 15 122.245 0.13 . 1 . . . A 43 PHE N . 18349 1 453 . 1 1 44 44 LEU H H 1 9.069 0.009 . 1 . . . A 44 LEU H . 18349 1 454 . 1 1 44 44 LEU HA H 1 4.813 0.009 . 1 . . . A 44 LEU HA . 18349 1 455 . 1 1 44 44 LEU HB2 H 1 1.431 0.009 . 2 . . . A 44 LEU HB2 . 18349 1 456 . 1 1 44 44 LEU HB3 H 1 1.471 0.009 . 2 . . . A 44 LEU HB3 . 18349 1 457 . 1 1 44 44 LEU HD11 H 1 0.718 0.009 . . . . . A 44 LEU HD11 . 18349 1 458 . 1 1 44 44 LEU HD12 H 1 0.718 0.009 . . . . . A 44 LEU HD12 . 18349 1 459 . 1 1 44 44 LEU HD13 H 1 0.718 0.009 . . . . . A 44 LEU HD13 . 18349 1 460 . 1 1 44 44 LEU HD21 H 1 0.741 0.009 . . . . . A 44 LEU HD21 . 18349 1 461 . 1 1 44 44 LEU HD22 H 1 0.741 0.009 . . . . . A 44 LEU HD22 . 18349 1 462 . 1 1 44 44 LEU HD23 H 1 0.741 0.009 . . . . . A 44 LEU HD23 . 18349 1 463 . 1 1 44 44 LEU CA C 13 53.210 0.18 . 1 . . . A 44 LEU CA . 18349 1 464 . 1 1 44 44 LEU CB C 13 44.365 0.18 . 1 . . . A 44 LEU CB . 18349 1 465 . 1 1 44 44 LEU CD1 C 13 26.115 0.18 . 2 . . . A 44 LEU CD1 . 18349 1 466 . 1 1 44 44 LEU CD2 C 13 24.039 0.18 . 2 . . . A 44 LEU CD2 . 18349 1 467 . 1 1 44 44 LEU N N 15 124.272 0.13 . 1 . . . A 44 LEU N . 18349 1 468 . 1 1 45 45 CYS H H 1 8.819 0.009 . 1 . . . A 45 CYS H . 18349 1 469 . 1 1 45 45 CYS HA H 1 5.190 0.009 . 1 . . . A 45 CYS HA . 18349 1 470 . 1 1 45 45 CYS HB2 H 1 2.446 0.009 . 2 . . . A 45 CYS HB2 . 18349 1 471 . 1 1 45 45 CYS HB3 H 1 2.446 0.009 . 2 . . . A 45 CYS QB . 18349 1 472 . 1 1 45 45 CYS CA C 13 56.881 0.18 . 1 . . . A 45 CYS CA . 18349 1 473 . 1 1 45 45 CYS CB C 13 30.509 0.18 . 1 . . . A 45 CYS CB . 18349 1 474 . 1 1 45 45 CYS N N 15 120.218 0.13 . 1 . . . A 45 CYS N . 18349 1 475 . 1 1 46 46 GLU H H 1 8.652 0.009 . 1 . . . A 46 GLU H . 18349 1 476 . 1 1 46 46 GLU HA H 1 4.602 0.009 . 1 . . . A 46 GLU HA . 18349 1 477 . 1 1 46 46 GLU HB2 H 1 1.980 0.009 . 2 . . . A 46 GLU HB2 . 18349 1 478 . 1 1 46 46 GLU HB3 H 1 1.817 0.009 . 2 . . . A 46 GLU HB3 . 18349 1 479 . 1 1 46 46 GLU HG2 H 1 2.043 0.009 . 2 . . . A 46 GLU HG2 . 18349 1 480 . 1 1 46 46 GLU HG3 H 1 2.043 0.009 . 2 . . . A 46 GLU QG . 18349 1 481 . 1 1 46 46 GLU CA C 13 55.198 0.18 . 1 . . . A 46 GLU CA . 18349 1 482 . 1 1 46 46 GLU CB C 13 32.378 0.18 . 1 . . . A 46 GLU CB . 18349 1 483 . 1 1 46 46 GLU CG C 13 36.216 0.18 . 1 . . . A 46 GLU CG . 18349 1 484 . 1 1 46 46 GLU N N 15 127.444 0.13 . 1 . . . A 46 GLU N . 18349 1 485 . 1 1 47 47 VAL H H 1 8.455 0.009 . 1 . . . A 47 VAL H . 18349 1 486 . 1 1 47 47 VAL HA H 1 4.732 0.009 . 1 . . . A 47 VAL HA . 18349 1 487 . 1 1 47 47 VAL HB H 1 1.586 0.009 . 1 . . . A 47 VAL HB . 18349 1 488 . 1 1 47 47 VAL HG11 H 1 0.436 0.009 . . . . . A 47 VAL HG11 . 18349 1 489 . 1 1 47 47 VAL HG12 H 1 0.436 0.009 . . . . . A 47 VAL HG12 . 18349 1 490 . 1 1 47 47 VAL HG13 H 1 0.436 0.009 . . . . . A 47 VAL HG13 . 18349 1 491 . 1 1 47 47 VAL HG21 H 1 0.543 0.009 . . . . . A 47 VAL HG21 . 18349 1 492 . 1 1 47 47 VAL HG22 H 1 0.543 0.009 . . . . . A 47 VAL HG22 . 18349 1 493 . 1 1 47 47 VAL HG23 H 1 0.543 0.009 . . . . . A 47 VAL HG23 . 18349 1 494 . 1 1 47 47 VAL CA C 13 61.110 0.18 . 1 . . . A 47 VAL CA . 18349 1 495 . 1 1 47 47 VAL CB C 13 33.464 0.18 . 1 . . . A 47 VAL CB . 18349 1 496 . 1 1 47 47 VAL CG1 C 13 21.679 0.18 . 2 . . . A 47 VAL CG1 . 18349 1 497 . 1 1 47 47 VAL CG2 C 13 22.208 0.18 . 2 . . . A 47 VAL CG2 . 18349 1 498 . 1 1 47 47 VAL N N 15 126.664 0.13 . 1 . . . A 47 VAL N . 18349 1 499 . 1 1 48 48 LYS H H 1 8.680 0.009 . 1 . . . A 48 LYS H . 18349 1 500 . 1 1 48 48 LYS HA H 1 4.867 0.009 . 1 . . . A 48 LYS HA . 18349 1 501 . 1 1 48 48 LYS HB2 H 1 1.546 0.009 . 2 . . . A 48 LYS HB2 . 18349 1 502 . 1 1 48 48 LYS HB3 H 1 1.384 0.009 . 2 . . . A 48 LYS HB3 . 18349 1 503 . 1 1 48 48 LYS HG2 H 1 1.203 0.009 . 2 . . . A 48 LYS HG2 . 18349 1 504 . 1 1 48 48 LYS HG3 H 1 1.203 0.009 . 2 . . . A 48 LYS QG . 18349 1 505 . 1 1 48 48 LYS HD2 H 1 1.384 0.009 . 2 . . . A 48 LYS HD2 . 18349 1 506 . 1 1 48 48 LYS HD3 H 1 1.384 0.009 . 2 . . . A 48 LYS QD . 18349 1 507 . 1 1 48 48 LYS HE2 H 1 2.724 0.009 . 2 . . . A 48 LYS HE2 . 18349 1 508 . 1 1 48 48 LYS HE3 H 1 2.724 0.009 . 2 . . . A 48 LYS QE . 18349 1 509 . 1 1 48 48 LYS CA C 13 54.152 0.18 . 1 . . . A 48 LYS CA . 18349 1 510 . 1 1 48 48 LYS CB C 13 36.771 0.18 . 1 . . . A 48 LYS CB . 18349 1 511 . 1 1 48 48 LYS CG C 13 25.310 0.18 . 1 . . . A 48 LYS CG . 18349 1 512 . 1 1 48 48 LYS CD C 13 29.874 0.18 . 1 . . . A 48 LYS CD . 18349 1 513 . 1 1 48 48 LYS CE C 13 42.306 0.18 . 1 . . . A 48 LYS CE . 18349 1 514 . 1 1 48 48 LYS N N 15 124.434 0.13 . 1 . . . A 48 LYS N . 18349 1 515 . 1 1 49 49 LEU H H 1 8.699 0.009 . 1 . . . A 49 LEU H . 18349 1 516 . 1 1 49 49 LEU HA H 1 4.911 0.009 . 1 . . . A 49 LEU HA . 18349 1 517 . 1 1 49 49 LEU HB2 H 1 1.819 0.009 . 2 . . . A 49 LEU HB2 . 18349 1 518 . 1 1 49 49 LEU HB3 H 1 1.354 0.009 . 2 . . . A 49 LEU HB3 . 18349 1 519 . 1 1 49 49 LEU HG H 1 1.525 0.009 . 1 . . . A 49 LEU HG . 18349 1 520 . 1 1 49 49 LEU HD11 H 1 0.844 0.009 . . . . . A 49 LEU HD11 . 18349 1 521 . 1 1 49 49 LEU HD12 H 1 0.844 0.009 . . . . . A 49 LEU HD12 . 18349 1 522 . 1 1 49 49 LEU HD13 H 1 0.844 0.009 . . . . . A 49 LEU HD13 . 18349 1 523 . 1 1 49 49 LEU HD21 H 1 0.563 0.009 . . . . . A 49 LEU HD21 . 18349 1 524 . 1 1 49 49 LEU HD22 H 1 0.563 0.009 . . . . . A 49 LEU HD22 . 18349 1 525 . 1 1 49 49 LEU HD23 H 1 0.563 0.009 . . . . . A 49 LEU HD23 . 18349 1 526 . 1 1 49 49 LEU CA C 13 53.967 0.18 . 1 . . . A 49 LEU CA . 18349 1 527 . 1 1 49 49 LEU CB C 13 45.981 0.18 . 1 . . . A 49 LEU CB . 18349 1 528 . 1 1 49 49 LEU CG C 13 28.124 0.18 . 1 . . . A 49 LEU CG . 18349 1 529 . 1 1 49 49 LEU CD1 C 13 27.276 0.18 . 2 . . . A 49 LEU CD1 . 18349 1 530 . 1 1 49 49 LEU CD2 C 13 23.676 0.18 . 2 . . . A 49 LEU CD2 . 18349 1 531 . 1 1 49 49 LEU N N 15 124.048 0.13 . 1 . . . A 49 LEU N . 18349 1 532 . 1 1 50 50 ALA H H 1 9.203 0.009 . 1 . . . A 50 ALA H . 18349 1 533 . 1 1 50 50 ALA HA H 1 5.840 0.009 . 1 . . . A 50 ALA HA . 18349 1 534 . 1 1 50 50 ALA HB1 H 1 1.099 0.009 . . . . . A 50 ALA HB1 . 18349 1 535 . 1 1 50 50 ALA HB2 H 1 1.099 0.009 . . . . . A 50 ALA HB2 . 18349 1 536 . 1 1 50 50 ALA HB3 H 1 1.099 0.009 . . . . . A 50 ALA HB3 . 18349 1 537 . 1 1 50 50 ALA CA C 13 49.275 0.18 . 1 . . . A 50 ALA CA . 18349 1 538 . 1 1 50 50 ALA CB C 13 23.034 0.18 . 1 . . . A 50 ALA CB . 18349 1 539 . 1 1 50 50 ALA N N 15 130.149 0.13 . 1 . . . A 50 ALA N . 18349 1 540 . 1 1 51 51 PHE H H 1 8.440 0.009 . 1 . . . A 51 PHE H . 18349 1 541 . 1 1 51 51 PHE HA H 1 4.811 0.009 . 1 . . . A 51 PHE HA . 18349 1 542 . 1 1 51 51 PHE HB2 H 1 3.335 0.009 . 2 . . . A 51 PHE HB2 . 18349 1 543 . 1 1 51 51 PHE HB3 H 1 2.892 0.009 . 2 . . . A 51 PHE HB3 . 18349 1 544 . 1 1 51 51 PHE HD1 H 1 6.905 0.009 . 3 . . . A 51 PHE HD1 . 18349 1 545 . 1 1 51 51 PHE HD2 H 1 6.905 0.009 . 3 . . . A 51 PHE HD2 . 18349 1 546 . 1 1 51 51 PHE HE1 H 1 7.501 0.009 . 3 . . . A 51 PHE HE1 . 18349 1 547 . 1 1 51 51 PHE HE2 H 1 7.501 0.009 . 3 . . . A 51 PHE HE2 . 18349 1 548 . 1 1 51 51 PHE CA C 13 56.735 0.18 . 1 . . . A 51 PHE CA . 18349 1 549 . 1 1 51 51 PHE CB C 13 39.262 0.18 . 1 . . . A 51 PHE CB . 18349 1 550 . 1 1 51 51 PHE CD1 C 13 132.800 0.18 . 3 . . . A 51 PHE CD1 . 18349 1 551 . 1 1 51 51 PHE CD2 C 13 132.800 0.18 . 3 . . . A 51 PHE CD2 . 18349 1 552 . 1 1 51 51 PHE CE1 C 13 132.661 0.18 . 3 . . . A 51 PHE CE1 . 18349 1 553 . 1 1 51 51 PHE CE2 C 13 132.660 0.18 . 3 . . . A 51 PHE CE2 . 18349 1 554 . 1 1 51 51 PHE N N 15 115.001 0.13 . 1 . . . A 51 PHE N . 18349 1 555 . 1 1 52 52 LYS H H 1 8.931 0.009 . 1 . . . A 52 LYS H . 18349 1 556 . 1 1 52 52 LYS HA H 1 4.904 0.009 . 1 . . . A 52 LYS HA . 18349 1 557 . 1 1 52 52 LYS HB2 H 1 1.568 0.009 . 2 . . . A 52 LYS HB2 . 18349 1 558 . 1 1 52 52 LYS HB3 H 1 1.673 0.009 . 2 . . . A 52 LYS HB3 . 18349 1 559 . 1 1 52 52 LYS HG2 H 1 1.157 0.009 . 2 . . . A 52 LYS HG2 . 18349 1 560 . 1 1 52 52 LYS HG3 H 1 1.157 0.009 . 2 . . . A 52 LYS QG . 18349 1 561 . 1 1 52 52 LYS HD2 H 1 1.515 0.009 . 2 . . . A 52 LYS HD2 . 18349 1 562 . 1 1 52 52 LYS HD3 H 1 1.515 0.009 . 2 . . . A 52 LYS QD . 18349 1 563 . 1 1 52 52 LYS HE2 H 1 2.777 0.009 . 2 . . . A 52 LYS HE2 . 18349 1 564 . 1 1 52 52 LYS HE3 H 1 2.777 0.009 . 2 . . . A 52 LYS QE . 18349 1 565 . 1 1 52 52 LYS CA C 13 55.370 0.18 . 1 . . . A 52 LYS CA . 18349 1 566 . 1 1 52 52 LYS CB C 13 34.075 0.18 . 1 . . . A 52 LYS CB . 18349 1 567 . 1 1 52 52 LYS CG C 13 25.079 0.18 . 1 . . . A 52 LYS CG . 18349 1 568 . 1 1 52 52 LYS CD C 13 29.577 0.18 . 1 . . . A 52 LYS CD . 18349 1 569 . 1 1 52 52 LYS CE C 13 41.881 0.18 . 1 . . . A 52 LYS CE . 18349 1 570 . 1 1 52 52 LYS N N 15 122.139 0.13 . 1 . . . A 52 LYS N . 18349 1 571 . 1 1 53 53 CYS H H 1 9.183 0.009 . 1 . . . A 53 CYS H . 18349 1 572 . 1 1 53 53 CYS HA H 1 4.801 0.009 . 1 . . . A 53 CYS HA . 18349 1 573 . 1 1 53 53 CYS HB2 H 1 2.996 0.009 . 2 . . . A 53 CYS HB2 . 18349 1 574 . 1 1 53 53 CYS HB3 H 1 2.814 0.009 . 2 . . . A 53 CYS HB3 . 18349 1 575 . 1 1 53 53 CYS CA C 13 58.656 0.18 . 1 . . . A 53 CYS CA . 18349 1 576 . 1 1 53 53 CYS CB C 13 28.954 0.18 . 1 . . . A 53 CYS CB . 18349 1 577 . 1 1 53 53 CYS N N 15 125.893 0.13 . 1 . . . A 53 CYS N . 18349 1 578 . 1 1 54 54 ASP H H 1 9.712 0.009 . 1 . . . A 54 ASP H . 18349 1 579 . 1 1 54 54 ASP HA H 1 4.356 0.009 . 1 . . . A 54 ASP HA . 18349 1 580 . 1 1 54 54 ASP HB2 H 1 2.819 0.009 . 2 . . . A 54 ASP HB2 . 18349 1 581 . 1 1 54 54 ASP HB3 H 1 2.977 0.009 . 2 . . . A 54 ASP HB3 . 18349 1 582 . 1 1 54 54 ASP CA C 13 55.789 0.18 . 1 . . . A 54 ASP CA . 18349 1 583 . 1 1 54 54 ASP CB C 13 39.842 0.18 . 1 . . . A 54 ASP CB . 18349 1 584 . 1 1 54 54 ASP N N 15 131.027 0.13 . 1 . . . A 54 ASP N . 18349 1 585 . 1 1 55 55 GLY H H 1 8.707 0.009 . 1 . . . A 55 GLY H . 18349 1 586 . 1 1 55 55 GLY HA2 H 1 3.518 0.009 . 2 . . . A 55 GLY HA2 . 18349 1 587 . 1 1 55 55 GLY HA3 H 1 4.162 0.009 . 2 . . . A 55 GLY HA3 . 18349 1 588 . 1 1 55 55 GLY CA C 13 45.685 0.18 . 1 . . . A 55 GLY CA . 18349 1 589 . 1 1 55 55 GLY N N 15 104.172 0.13 . 1 . . . A 55 GLY N . 18349 1 590 . 1 1 56 56 GLU H H 1 7.709 0.009 . 1 . . . A 56 GLU H . 18349 1 591 . 1 1 56 56 GLU HA H 1 4.639 0.009 . 1 . . . A 56 GLU HA . 18349 1 592 . 1 1 56 56 GLU HB2 H 1 1.929 0.009 . 2 . . . A 56 GLU HB2 . 18349 1 593 . 1 1 56 56 GLU HB3 H 1 1.852 0.009 . 2 . . . A 56 GLU HB3 . 18349 1 594 . 1 1 56 56 GLU HG2 H 1 2.132 0.009 . 2 . . . A 56 GLU HG2 . 18349 1 595 . 1 1 56 56 GLU HG3 H 1 2.132 0.009 . 2 . . . A 56 GLU QG . 18349 1 596 . 1 1 56 56 GLU CA C 13 54.069 0.18 . 1 . . . A 56 GLU CA . 18349 1 597 . 1 1 56 56 GLU CB C 13 33.498 0.18 . 1 . . . A 56 GLU CB . 18349 1 598 . 1 1 56 56 GLU CG C 13 36.022 0.18 . 1 . . . A 56 GLU CG . 18349 1 599 . 1 1 56 56 GLU N N 15 120.557 0.13 . 1 . . . A 56 GLU N . 18349 1 600 . 1 1 57 57 ILE H H 1 8.502 0.009 . 1 . . . A 57 ILE H . 18349 1 601 . 1 1 57 57 ILE HA H 1 4.356 0.009 . 1 . . . A 57 ILE HA . 18349 1 602 . 1 1 57 57 ILE HB H 1 1.702 0.009 . 1 . . . A 57 ILE HB . 18349 1 603 . 1 1 57 57 ILE HG12 H 1 1.360 0.009 . 2 . . . A 57 ILE HG12 . 18349 1 604 . 1 1 57 57 ILE HG13 H 1 1.130 0.009 . 2 . . . A 57 ILE HG13 . 18349 1 605 . 1 1 57 57 ILE HG21 H 1 0.571 0.009 . . . . . A 57 ILE HG21 . 18349 1 606 . 1 1 57 57 ILE HG22 H 1 0.571 0.009 . . . . . A 57 ILE HG22 . 18349 1 607 . 1 1 57 57 ILE HG23 H 1 0.571 0.009 . . . . . A 57 ILE HG23 . 18349 1 608 . 1 1 57 57 ILE HD11 H 1 0.636 0.009 . . . . . A 57 ILE HD11 . 18349 1 609 . 1 1 57 57 ILE HD12 H 1 0.636 0.009 . . . . . A 57 ILE HD12 . 18349 1 610 . 1 1 57 57 ILE HD13 H 1 0.636 0.009 . . . . . A 57 ILE HD13 . 18349 1 611 . 1 1 57 57 ILE CA C 13 59.809 0.18 . 1 . . . A 57 ILE CA . 18349 1 612 . 1 1 57 57 ILE CB C 13 36.876 0.18 . 1 . . . A 57 ILE CB . 18349 1 613 . 1 1 57 57 ILE CG1 C 13 27.484 0.18 . 1 . . . A 57 ILE CG1 . 18349 1 614 . 1 1 57 57 ILE CG2 C 13 17.506 0.18 . 1 . . . A 57 ILE CG2 . 18349 1 615 . 1 1 57 57 ILE CD1 C 13 11.280 0.18 . 1 . . . A 57 ILE CD1 . 18349 1 616 . 1 1 57 57 ILE N N 15 123.029 0.13 . 1 . . . A 57 ILE N . 18349 1 617 . 1 1 58 58 LYS H H 1 8.755 0.009 . 1 . . . A 58 LYS H . 18349 1 618 . 1 1 58 58 LYS HA H 1 4.190 0.009 . 1 . . . A 58 LYS HA . 18349 1 619 . 1 1 58 58 LYS HB2 H 1 0.878 0.009 . 2 . . . A 58 LYS HB2 . 18349 1 620 . 1 1 58 58 LYS HB3 H 1 0.557 0.009 . 2 . . . A 58 LYS HB3 . 18349 1 621 . 1 1 58 58 LYS HG2 H 1 1.075 0.009 . 2 . . . A 58 LYS HG2 . 18349 1 622 . 1 1 58 58 LYS HG3 H 1 0.883 0.009 . 2 . . . A 58 LYS HG3 . 18349 1 623 . 1 1 58 58 LYS HD2 H 1 1.381 0.009 . 2 . . . A 58 LYS HD2 . 18349 1 624 . 1 1 58 58 LYS HD3 H 1 1.191 0.009 . 2 . . . A 58 LYS HD3 . 18349 1 625 . 1 1 58 58 LYS HE2 H 1 2.410 0.009 . 2 . . . A 58 LYS HE2 . 18349 1 626 . 1 1 58 58 LYS HE3 H 1 2.724 0.009 . 2 . . . A 58 LYS HE3 . 18349 1 627 . 1 1 58 58 LYS CA C 13 52.259 0.18 . 1 . . . A 58 LYS CA . 18349 1 628 . 1 1 58 58 LYS CB C 13 33.114 0.18 . 1 . . . A 58 LYS CB . 18349 1 629 . 1 1 58 58 LYS CG C 13 23.747 0.18 . 1 . . . A 58 LYS CG . 18349 1 630 . 1 1 58 58 LYS CD C 13 27.250 0.18 . 1 . . . A 58 LYS CD . 18349 1 631 . 1 1 58 58 LYS CE C 13 41.683 0.18 . 1 . . . A 58 LYS CE . 18349 1 632 . 1 1 58 58 LYS N N 15 130.275 0.13 . 1 . . . A 58 LYS N . 18349 1 633 . 1 1 59 59 THR H H 1 7.369 0.009 . 1 . . . A 59 THR H . 18349 1 634 . 1 1 59 59 THR HA H 1 5.100 0.009 . 1 . . . A 59 THR HA . 18349 1 635 . 1 1 59 59 THR HB H 1 3.534 0.009 . 1 . . . A 59 THR HB . 18349 1 636 . 1 1 59 59 THR HG21 H 1 0.871 0.009 . . . . . A 59 THR HG21 . 18349 1 637 . 1 1 59 59 THR HG22 H 1 0.871 0.009 . . . . . A 59 THR HG22 . 18349 1 638 . 1 1 59 59 THR HG23 H 1 0.871 0.009 . . . . . A 59 THR HG23 . 18349 1 639 . 1 1 59 59 THR CA C 13 60.409 0.18 . 1 . . . A 59 THR CA . 18349 1 640 . 1 1 59 59 THR CB C 13 70.886 0.18 . 1 . . . A 59 THR CB . 18349 1 641 . 1 1 59 59 THR CG2 C 13 22.020 0.18 . 1 . . . A 59 THR CG2 . 18349 1 642 . 1 1 59 59 THR N N 15 112.811 0.13 . 1 . . . A 59 THR N . 18349 1 643 . 1 1 60 60 PHE H H 1 9.162 0.009 . 1 . . . A 60 PHE H . 18349 1 644 . 1 1 60 60 PHE HA H 1 4.768 0.009 . 1 . . . A 60 PHE HA . 18349 1 645 . 1 1 60 60 PHE HB2 H 1 2.745 0.009 . 2 . . . A 60 PHE HB2 . 18349 1 646 . 1 1 60 60 PHE HB3 H 1 3.370 0.009 . 2 . . . A 60 PHE HB3 . 18349 1 647 . 1 1 60 60 PHE HD1 H 1 7.087 0.009 . 3 . . . A 60 PHE HD1 . 18349 1 648 . 1 1 60 60 PHE HD2 H 1 7.087 0.009 . 3 . . . A 60 PHE HD2 . 18349 1 649 . 1 1 60 60 PHE HE1 H 1 6.710 0.009 . 3 . . . A 60 PHE HE1 . 18349 1 650 . 1 1 60 60 PHE HE2 H 1 6.710 0.009 . 3 . . . A 60 PHE HE2 . 18349 1 651 . 1 1 60 60 PHE HZ H 1 6.106 0.009 . 1 . . . A 60 PHE HZ . 18349 1 652 . 1 1 60 60 PHE CA C 13 57.623 0.18 . 1 . . . A 60 PHE CA . 18349 1 653 . 1 1 60 60 PHE CB C 13 44.138 0.18 . 1 . . . A 60 PHE CB . 18349 1 654 . 1 1 60 60 PHE CD1 C 13 131.737 0.18 . 3 . . . A 60 PHE CD1 . 18349 1 655 . 1 1 60 60 PHE CD2 C 13 131.734 0.18 . 3 . . . A 60 PHE CD2 . 18349 1 656 . 1 1 60 60 PHE CE2 C 13 131.740 0.18 . 3 . . . A 60 PHE CE2 . 18349 1 657 . 1 1 60 60 PHE CZ C 13 129.368 0.18 . 1 . . . A 60 PHE CZ . 18349 1 658 . 1 1 60 60 PHE N N 15 121.789 0.13 . 1 . . . A 60 PHE N . 18349 1 659 . 1 1 61 61 SER H H 1 9.572 0.009 . 1 . . . A 61 SER H . 18349 1 660 . 1 1 61 61 SER HA H 1 4.876 0.009 . 1 . . . A 61 SER HA . 18349 1 661 . 1 1 61 61 SER HB2 H 1 3.874 0.009 . 2 . . . A 61 SER HB2 . 18349 1 662 . 1 1 61 61 SER HB3 H 1 4.104 0.009 . 2 . . . A 61 SER HB3 . 18349 1 663 . 1 1 61 61 SER CA C 13 58.232 0.18 . 1 . . . A 61 SER CA . 18349 1 664 . 1 1 61 61 SER CB C 13 64.611 0.18 . 1 . . . A 61 SER CB . 18349 1 665 . 1 1 61 61 SER N N 15 116.498 0.13 . 1 . . . A 61 SER N . 18349 1 666 . 1 1 62 62 ASP H H 1 7.787 0.009 . 1 . . . A 62 ASP H . 18349 1 667 . 1 1 62 62 ASP HA H 1 5.076 0.009 . 1 . . . A 62 ASP HA . 18349 1 668 . 1 1 62 62 ASP HB2 H 1 2.945 0.009 . 2 . . . A 62 ASP HB2 . 18349 1 669 . 1 1 62 62 ASP HB3 H 1 2.945 0.009 . 2 . . . A 62 ASP QB . 18349 1 670 . 1 1 62 62 ASP CA C 13 53.246 0.18 . 1 . . . A 62 ASP CA . 18349 1 671 . 1 1 62 62 ASP CB C 13 44.175 0.18 . 1 . . . A 62 ASP CB . 18349 1 672 . 1 1 62 62 ASP N N 15 117.813 0.13 . 1 . . . A 62 ASP N . 18349 1 673 . 1 1 63 63 LEU H H 1 8.906 0.009 . 1 . . . A 63 LEU H . 18349 1 674 . 1 1 63 63 LEU HA H 1 3.823 0.009 . 1 . . . A 63 LEU HA . 18349 1 675 . 1 1 63 63 LEU HB2 H 1 1.467 0.009 . 2 . . . A 63 LEU HB2 . 18349 1 676 . 1 1 63 63 LEU HB3 H 1 1.508 0.009 . 2 . . . A 63 LEU HB3 . 18349 1 677 . 1 1 63 63 LEU HD11 H 1 -0.028 0.009 . . . . . A 63 LEU HD11 . 18349 1 678 . 1 1 63 63 LEU HD12 H 1 -0.028 0.009 . . . . . A 63 LEU HD12 . 18349 1 679 . 1 1 63 63 LEU HD13 H 1 -0.028 0.009 . . . . . A 63 LEU HD13 . 18349 1 680 . 1 1 63 63 LEU HD21 H 1 -0.028 0.009 . . . . . A 63 LEU HD21 . 18349 1 681 . 1 1 63 63 LEU HD22 H 1 -0.028 0.009 . . . . . A 63 LEU HD22 . 18349 1 682 . 1 1 63 63 LEU HD23 H 1 -0.028 0.009 . . . . . A 63 LEU HD23 . 18349 1 683 . 1 1 63 63 LEU CA C 13 56.818 0.18 . 1 . . . A 63 LEU CA . 18349 1 684 . 1 1 63 63 LEU CB C 13 41.975 0.18 . 1 . . . A 63 LEU CB . 18349 1 685 . 1 1 63 63 LEU N N 15 122.385 0.13 . 1 . . . A 63 LEU N . 18349 1 686 . 1 1 64 64 GLN H H 1 8.602 0.009 . 1 . . . A 64 GLN H . 18349 1 687 . 1 1 64 64 GLN HA H 1 4.010 0.009 . 1 . . . A 64 GLN HA . 18349 1 688 . 1 1 64 64 GLN HB2 H 1 2.178 0.009 . 2 . . . A 64 GLN HB2 . 18349 1 689 . 1 1 64 64 GLN HB3 H 1 2.085 0.009 . 2 . . . A 64 GLN HB3 . 18349 1 690 . 1 1 64 64 GLN HG2 H 1 2.418 0.009 . 2 . . . A 64 GLN HG2 . 18349 1 691 . 1 1 64 64 GLN HG3 H 1 2.418 0.009 . 2 . . . A 64 GLN QG . 18349 1 692 . 1 1 64 64 GLN CA C 13 59.379 0.18 . 1 . . . A 64 GLN CA . 18349 1 693 . 1 1 64 64 GLN CB C 13 27.595 0.18 . 1 . . . A 64 GLN CB . 18349 1 694 . 1 1 64 64 GLN CG C 13 33.912 0.18 . 1 . . . A 64 GLN CG . 18349 1 695 . 1 1 64 64 GLN N N 15 121.981 0.13 . 1 . . . A 64 GLN N . 18349 1 696 . 1 1 65 65 SER H H 1 9.019 0.009 . 1 . . . A 65 SER H . 18349 1 697 . 1 1 65 65 SER HA H 1 4.220 0.009 . 1 . . . A 65 SER HA . 18349 1 698 . 1 1 65 65 SER HB2 H 1 4.014 0.009 . 2 . . . A 65 SER HB2 . 18349 1 699 . 1 1 65 65 SER HB3 H 1 4.014 0.009 . 2 . . . A 65 SER QB . 18349 1 700 . 1 1 65 65 SER CA C 13 62.205 0.18 . 1 . . . A 65 SER CA . 18349 1 701 . 1 1 65 65 SER CB C 13 62.355 0.18 . 1 . . . A 65 SER CB . 18349 1 702 . 1 1 65 65 SER N N 15 118.758 0.13 . 1 . . . A 65 SER N . 18349 1 703 . 1 1 66 66 LEU H H 1 7.099 0.009 . 1 . . . A 66 LEU H . 18349 1 704 . 1 1 66 66 LEU HA H 1 3.181 0.009 . 1 . . . A 66 LEU HA . 18349 1 705 . 1 1 66 66 LEU HB2 H 1 0.982 0.009 . 2 . . . A 66 LEU HB2 . 18349 1 706 . 1 1 66 66 LEU HB3 H 1 1.715 0.009 . 2 . . . A 66 LEU HB3 . 18349 1 707 . 1 1 66 66 LEU HG H 1 1.058 0.009 . 1 . . . A 66 LEU HG . 18349 1 708 . 1 1 66 66 LEU HD11 H 1 0.546 0.009 . . . . . A 66 LEU HD11 . 18349 1 709 . 1 1 66 66 LEU HD12 H 1 0.546 0.009 . . . . . A 66 LEU HD12 . 18349 1 710 . 1 1 66 66 LEU HD13 H 1 0.546 0.009 . . . . . A 66 LEU HD13 . 18349 1 711 . 1 1 66 66 LEU HD21 H 1 0.443 0.009 . . . . . A 66 LEU HD21 . 18349 1 712 . 1 1 66 66 LEU HD22 H 1 0.443 0.009 . . . . . A 66 LEU HD22 . 18349 1 713 . 1 1 66 66 LEU HD23 H 1 0.443 0.009 . . . . . A 66 LEU HD23 . 18349 1 714 . 1 1 66 66 LEU CA C 13 58.139 0.18 . 1 . . . A 66 LEU CA . 18349 1 715 . 1 1 66 66 LEU CB C 13 41.269 0.18 . 1 . . . A 66 LEU CB . 18349 1 716 . 1 1 66 66 LEU CG C 13 27.699 0.18 . 1 . . . A 66 LEU CG . 18349 1 717 . 1 1 66 66 LEU CD1 C 13 26.201 0.18 . 2 . . . A 66 LEU CD1 . 18349 1 718 . 1 1 66 66 LEU CD2 C 13 24.284 0.18 . 2 . . . A 66 LEU CD2 . 18349 1 719 . 1 1 66 66 LEU N N 15 125.879 0.13 . 1 . . . A 66 LEU N . 18349 1 720 . 1 1 67 67 ARG H H 1 8.449 0.009 . 1 . . . A 67 ARG H . 18349 1 721 . 1 1 67 67 ARG HA H 1 3.611 0.009 . 1 . . . A 67 ARG HA . 18349 1 722 . 1 1 67 67 ARG HB2 H 1 1.717 0.009 . 2 . . . A 67 ARG HB2 . 18349 1 723 . 1 1 67 67 ARG HB3 H 1 1.957 0.009 . 2 . . . A 67 ARG HB3 . 18349 1 724 . 1 1 67 67 ARG HG2 H 1 1.561 0.009 . 2 . . . A 67 ARG HG2 . 18349 1 725 . 1 1 67 67 ARG HG3 H 1 1.450 0.009 . 2 . . . A 67 ARG HG3 . 18349 1 726 . 1 1 67 67 ARG HD2 H 1 3.058 0.009 . 2 . . . A 67 ARG HD2 . 18349 1 727 . 1 1 67 67 ARG HD3 H 1 3.058 0.009 . 2 . . . A 67 ARG QD . 18349 1 728 . 1 1 67 67 ARG HE H 1 7.240 0.009 . 1 . . . A 67 ARG HE . 18349 1 729 . 1 1 67 67 ARG CA C 13 59.995 0.18 . 1 . . . A 67 ARG CA . 18349 1 730 . 1 1 67 67 ARG CB C 13 29.825 0.18 . 1 . . . A 67 ARG CB . 18349 1 731 . 1 1 67 67 ARG CG C 13 27.449 0.18 . 1 . . . A 67 ARG CG . 18349 1 732 . 1 1 67 67 ARG CD C 13 43.442 0.18 . 1 . . . A 67 ARG CD . 18349 1 733 . 1 1 67 67 ARG N N 15 121.270 0.13 . 1 . . . A 67 ARG N . 18349 1 734 . 1 1 67 67 ARG NE N 15 84.701 0.13 . 1 . . . A 67 ARG NE . 18349 1 735 . 1 1 68 68 LYS H H 1 7.998 0.009 . 1 . . . A 68 LYS H . 18349 1 736 . 1 1 68 68 LYS HA H 1 3.951 0.009 . 1 . . . A 68 LYS HA . 18349 1 737 . 1 1 68 68 LYS HB2 H 1 1.935 0.009 . 2 . . . A 68 LYS HB2 . 18349 1 738 . 1 1 68 68 LYS HB3 H 1 1.893 0.009 . 2 . . . A 68 LYS HB3 . 18349 1 739 . 1 1 68 68 LYS HG2 H 1 1.422 0.009 . 2 . . . A 68 LYS HG2 . 18349 1 740 . 1 1 68 68 LYS HG3 H 1 1.521 0.009 . 2 . . . A 68 LYS HG3 . 18349 1 741 . 1 1 68 68 LYS HD2 H 1 1.677 0.009 . 2 . . . A 68 LYS HD2 . 18349 1 742 . 1 1 68 68 LYS HD3 H 1 1.677 0.009 . 2 . . . A 68 LYS QD . 18349 1 743 . 1 1 68 68 LYS HE2 H 1 2.923 0.009 . 2 . . . A 68 LYS HE2 . 18349 1 744 . 1 1 68 68 LYS HE3 H 1 2.923 0.009 . 2 . . . A 68 LYS QE . 18349 1 745 . 1 1 68 68 LYS CA C 13 59.482 0.18 . 1 . . . A 68 LYS CA . 18349 1 746 . 1 1 68 68 LYS CB C 13 32.293 0.18 . 1 . . . A 68 LYS CB . 18349 1 747 . 1 1 68 68 LYS CG C 13 25.350 0.18 . 1 . . . A 68 LYS CG . 18349 1 748 . 1 1 68 68 LYS CD C 13 29.450 0.18 . 1 . . . A 68 LYS CD . 18349 1 749 . 1 1 68 68 LYS CE C 13 42.319 0.18 . 1 . . . A 68 LYS CE . 18349 1 750 . 1 1 68 68 LYS N N 15 120.624 0.13 . 1 . . . A 68 LYS N . 18349 1 751 . 1 1 69 69 PHE H H 1 7.783 0.009 . 1 . . . A 69 PHE H . 18349 1 752 . 1 1 69 69 PHE HA H 1 4.256 0.009 . 1 . . . A 69 PHE HA . 18349 1 753 . 1 1 69 69 PHE HB2 H 1 3.448 0.009 . 2 . . . A 69 PHE HB2 . 18349 1 754 . 1 1 69 69 PHE HB3 H 1 3.018 0.009 . 2 . . . A 69 PHE HB3 . 18349 1 755 . 1 1 69 69 PHE HD1 H 1 7.232 0.009 . 3 . . . A 69 PHE HD1 . 18349 1 756 . 1 1 69 69 PHE HD2 H 1 7.232 0.009 . 3 . . . A 69 PHE HD2 . 18349 1 757 . 1 1 69 69 PHE HE1 H 1 7.469 0.009 . 3 . . . A 69 PHE HE1 . 18349 1 758 . 1 1 69 69 PHE HE2 H 1 7.469 0.009 . 3 . . . A 69 PHE HE2 . 18349 1 759 . 1 1 69 69 PHE CA C 13 61.215 0.18 . 1 . . . A 69 PHE CA . 18349 1 760 . 1 1 69 69 PHE CB C 13 40.171 0.18 . 1 . . . A 69 PHE CB . 18349 1 761 . 1 1 69 69 PHE CD1 C 13 132.580 0.18 . 3 . . . A 69 PHE CD1 . 18349 1 762 . 1 1 69 69 PHE CD2 C 13 132.581 0.18 . 3 . . . A 69 PHE CD2 . 18349 1 763 . 1 1 69 69 PHE CE2 C 13 131.692 0.18 . 3 . . . A 69 PHE CE2 . 18349 1 764 . 1 1 69 69 PHE N N 15 122.104 0.13 . 1 . . . A 69 PHE N . 18349 1 765 . 1 1 70 70 ALA H H 1 8.801 0.009 . 1 . . . A 70 ALA H . 18349 1 766 . 1 1 70 70 ALA HA H 1 3.732 0.009 . 1 . . . A 70 ALA HA . 18349 1 767 . 1 1 70 70 ALA HB1 H 1 1.129 0.009 . . . . . A 70 ALA HB1 . 18349 1 768 . 1 1 70 70 ALA HB2 H 1 1.129 0.009 . . . . . A 70 ALA HB2 . 18349 1 769 . 1 1 70 70 ALA HB3 H 1 1.129 0.009 . . . . . A 70 ALA HB3 . 18349 1 770 . 1 1 70 70 ALA CA C 13 54.455 0.18 . 1 . . . A 70 ALA CA . 18349 1 771 . 1 1 70 70 ALA CB C 13 18.697 0.18 . 1 . . . A 70 ALA CB . 18349 1 772 . 1 1 70 70 ALA N N 15 121.297 0.13 . 1 . . . A 70 ALA N . 18349 1 773 . 1 1 71 71 SER H H 1 7.669 0.009 . 1 . . . A 71 SER H . 18349 1 774 . 1 1 71 71 SER HA H 1 3.948 0.009 . 1 . . . A 71 SER HA . 18349 1 775 . 1 1 71 71 SER HB2 H 1 3.939 0.009 . 2 . . . A 71 SER HB2 . 18349 1 776 . 1 1 71 71 SER CA C 13 60.995 0.18 . 1 . . . A 71 SER CA . 18349 1 777 . 1 1 71 71 SER CB C 13 63.451 0.18 . 1 . . . A 71 SER CB . 18349 1 778 . 1 1 71 71 SER N N 15 109.734 0.13 . 1 . . . A 71 SER N . 18349 1 779 . 1 1 72 72 GLN H H 1 7.160 0.009 . 1 . . . A 72 GLN H . 18349 1 780 . 1 1 72 72 GLN HA H 1 4.307 0.009 . 1 . . . A 72 GLN HA . 18349 1 781 . 1 1 72 72 GLN HB2 H 1 2.173 0.009 . 2 . . . A 72 GLN HB2 . 18349 1 782 . 1 1 72 72 GLN HB3 H 1 1.920 0.009 . 2 . . . A 72 GLN HB3 . 18349 1 783 . 1 1 72 72 GLN HG2 H 1 2.273 0.009 . 2 . . . A 72 GLN HG2 . 18349 1 784 . 1 1 72 72 GLN HG3 H 1 2.415 0.009 . 2 . . . A 72 GLN HG3 . 18349 1 785 . 1 1 72 72 GLN HE21 H 1 7.593 0.009 . 2 . . . A 72 GLN HE21 . 18349 1 786 . 1 1 72 72 GLN HE22 H 1 6.802 0.009 . 2 . . . A 72 GLN HE22 . 18349 1 787 . 1 1 72 72 GLN CA C 13 55.144 0.18 . 1 . . . A 72 GLN CA . 18349 1 788 . 1 1 72 72 GLN CB C 13 29.619 0.18 . 1 . . . A 72 GLN CB . 18349 1 789 . 1 1 72 72 GLN CG C 13 34.030 0.18 . 1 . . . A 72 GLN CG . 18349 1 790 . 1 1 72 72 GLN N N 15 118.485 0.13 . 1 . . . A 72 GLN N . 18349 1 791 . 1 1 72 72 GLN NE2 N 15 113.153 0.13 . 1 . . . A 72 GLN NE2 . 18349 1 792 . 1 1 73 73 LYS H H 1 7.288 0.009 . 1 . . . A 73 LYS H . 18349 1 793 . 1 1 73 73 LYS HA H 1 4.597 0.009 . 1 . . . A 73 LYS HA . 18349 1 794 . 1 1 73 73 LYS HB2 H 1 1.632 0.009 . 2 . . . A 73 LYS HB2 . 18349 1 795 . 1 1 73 73 LYS HB3 H 1 1.430 0.009 . 2 . . . A 73 LYS HB3 . 18349 1 796 . 1 1 73 73 LYS HG2 H 1 1.055 0.009 . 2 . . . A 73 LYS HG2 . 18349 1 797 . 1 1 73 73 LYS HG3 H 1 1.055 0.009 . 2 . . . A 73 LYS QG . 18349 1 798 . 1 1 73 73 LYS HD2 H 1 1.468 0.009 . 2 . . . A 73 LYS HD2 . 18349 1 799 . 1 1 73 73 LYS HD3 H 1 1.468 0.009 . 2 . . . A 73 LYS QD . 18349 1 800 . 1 1 73 73 LYS HE2 H 1 2.935 0.009 . 2 . . . A 73 LYS HE2 . 18349 1 801 . 1 1 73 73 LYS HE3 H 1 2.741 0.009 . 2 . . . A 73 LYS HE3 . 18349 1 802 . 1 1 73 73 LYS CA C 13 53.219 0.18 . 1 . . . A 73 LYS CA . 18349 1 803 . 1 1 73 73 LYS CB C 13 33.143 0.18 . 1 . . . A 73 LYS CB . 18349 1 804 . 1 1 73 73 LYS CG C 13 23.568 0.18 . 1 . . . A 73 LYS CG . 18349 1 805 . 1 1 73 73 LYS CD C 13 28.635 0.18 . 1 . . . A 73 LYS CD . 18349 1 806 . 1 1 73 73 LYS CE C 13 42.277 0.18 . 1 . . . A 73 LYS CE . 18349 1 807 . 1 1 73 73 LYS N N 15 121.680 0.13 . 1 . . . A 73 LYS N . 18349 1 808 . 1 1 74 74 SER HB2 H 1 3.986 0.009 . 2 . . . A 74 SER HB2 . 18349 1 809 . 1 1 74 74 SER HB3 H 1 3.918 0.009 . 2 . . . A 74 SER HB3 . 18349 1 810 . 1 1 74 74 SER CA C 13 62.000 0.18 . 1 . . . A 74 SER CA . 18349 1 811 . 1 1 74 74 SER CB C 13 62.392 0.18 . 1 . . . A 74 SER CB . 18349 1 812 . 1 1 75 75 SER H H 1 8.439 0.009 . 1 . . . A 75 SER H . 18349 1 813 . 1 1 75 75 SER HA H 1 4.299 0.009 . 1 . . . A 75 SER HA . 18349 1 814 . 1 1 75 75 SER HB2 H 1 3.952 0.009 . 2 . . . A 75 SER HB2 . 18349 1 815 . 1 1 75 75 SER HB3 H 1 4.035 0.009 . 2 . . . A 75 SER HB3 . 18349 1 816 . 1 1 75 75 SER CA C 13 59.939 0.18 . 1 . . . A 75 SER CA . 18349 1 817 . 1 1 75 75 SER CB C 13 62.592 0.18 . 1 . . . A 75 SER CB . 18349 1 818 . 1 1 75 75 SER N N 15 115.269 0.13 . 1 . . . A 75 SER N . 18349 1 819 . 1 1 76 76 MET H H 1 7.377 0.009 . 1 . . . A 76 MET H . 18349 1 820 . 1 1 76 76 MET HA H 1 4.338 0.009 . 1 . . . A 76 MET HA . 18349 1 821 . 1 1 76 76 MET HB2 H 1 1.917 0.009 . 2 . . . A 76 MET HB2 . 18349 1 822 . 1 1 76 76 MET HB3 H 1 2.094 0.009 . 2 . . . A 76 MET HB3 . 18349 1 823 . 1 1 76 76 MET HG2 H 1 2.441 0.009 . 2 . . . A 76 MET HG2 . 18349 1 824 . 1 1 76 76 MET HG3 H 1 2.059 0.009 . 2 . . . A 76 MET HG3 . 18349 1 825 . 1 1 76 76 MET HE1 H 1 1.221 0.009 . . . . . A 76 MET HE1 . 18349 1 826 . 1 1 76 76 MET HE2 H 1 1.221 0.009 . . . . . A 76 MET HE2 . 18349 1 827 . 1 1 76 76 MET HE3 H 1 1.221 0.009 . . . . . A 76 MET HE3 . 18349 1 828 . 1 1 76 76 MET CA C 13 57.159 0.18 . 1 . . . A 76 MET CA . 18349 1 829 . 1 1 76 76 MET CB C 13 34.819 0.18 . 1 . . . A 76 MET CB . 18349 1 830 . 1 1 76 76 MET CG C 13 33.219 0.18 . 1 . . . A 76 MET CG . 18349 1 831 . 1 1 76 76 MET CE C 13 17.489 0.18 . 1 . . . A 76 MET CE . 18349 1 832 . 1 1 76 76 MET N N 15 119.989 0.13 . 1 . . . A 76 MET N . 18349 1 833 . 1 1 77 77 LYS H H 1 8.013 0.009 . 1 . . . A 77 LYS H . 18349 1 834 . 1 1 77 77 LYS HA H 1 3.613 0.009 . 1 . . . A 77 LYS HA . 18349 1 835 . 1 1 77 77 LYS HB2 H 1 1.883 0.009 . 2 . . . A 77 LYS HB2 . 18349 1 836 . 1 1 77 77 LYS HB3 H 1 1.786 0.009 . 2 . . . A 77 LYS HB3 . 18349 1 837 . 1 1 77 77 LYS HG2 H 1 1.451 0.009 . 2 . . . A 77 LYS HG2 . 18349 1 838 . 1 1 77 77 LYS HG3 H 1 1.569 0.009 . 2 . . . A 77 LYS HG3 . 18349 1 839 . 1 1 77 77 LYS HD2 H 1 1.962 0.009 . 2 . . . A 77 LYS HD2 . 18349 1 840 . 1 1 77 77 LYS HD3 H 1 1.578 0.009 . 2 . . . A 77 LYS HD3 . 18349 1 841 . 1 1 77 77 LYS CA C 13 60.133 0.18 . 1 . . . A 77 LYS CA . 18349 1 842 . 1 1 77 77 LYS CB C 13 32.259 0.18 . 1 . . . A 77 LYS CB . 18349 1 843 . 1 1 77 77 LYS CG C 13 27.500 0.18 . 1 . . . A 77 LYS CG . 18349 1 844 . 1 1 77 77 LYS CD C 13 29.707 0.18 . 1 . . . A 77 LYS CD . 18349 1 845 . 1 1 77 77 LYS N N 15 121.432 0.13 . 1 . . . A 77 LYS N . 18349 1 846 . 1 1 78 78 GLU H H 1 8.089 0.009 . 1 . . . A 78 GLU H . 18349 1 847 . 1 1 78 78 GLU HA H 1 4.129 0.009 . 1 . . . A 78 GLU HA . 18349 1 848 . 1 1 78 78 GLU HB2 H 1 2.025 0.009 . 2 . . . A 78 GLU HB2 . 18349 1 849 . 1 1 78 78 GLU HB3 H 1 1.882 0.009 . 2 . . . A 78 GLU HB3 . 18349 1 850 . 1 1 78 78 GLU HG2 H 1 2.243 0.009 . 2 . . . A 78 GLU HG2 . 18349 1 851 . 1 1 78 78 GLU HG3 H 1 2.243 0.009 . 2 . . . A 78 GLU QG . 18349 1 852 . 1 1 78 78 GLU CA C 13 57.530 0.18 . 1 . . . A 78 GLU CA . 18349 1 853 . 1 1 78 78 GLU CB C 13 29.525 0.18 . 1 . . . A 78 GLU CB . 18349 1 854 . 1 1 78 78 GLU CG C 13 35.994 0.18 . 1 . . . A 78 GLU CG . 18349 1 855 . 1 1 78 78 GLU N N 15 117.200 0.13 . 1 . . . A 78 GLU N . 18349 1 856 . 1 1 79 79 LEU H H 1 7.437 0.009 . 1 . . . A 79 LEU H . 18349 1 857 . 1 1 79 79 LEU HA H 1 4.024 0.009 . 1 . . . A 79 LEU HA . 18349 1 858 . 1 1 79 79 LEU HB2 H 1 1.688 0.009 . 2 . . . A 79 LEU HB2 . 18349 1 859 . 1 1 79 79 LEU HB3 H 1 1.336 0.009 . 2 . . . A 79 LEU HB3 . 18349 1 860 . 1 1 79 79 LEU HG H 1 1.615 0.009 . 1 . . . A 79 LEU HG . 18349 1 861 . 1 1 79 79 LEU HD11 H 1 0.846 0.009 . . . . . A 79 LEU HD11 . 18349 1 862 . 1 1 79 79 LEU HD12 H 1 0.846 0.009 . . . . . A 79 LEU HD12 . 18349 1 863 . 1 1 79 79 LEU HD13 H 1 0.846 0.009 . . . . . A 79 LEU HD13 . 18349 1 864 . 1 1 79 79 LEU HD21 H 1 0.746 0.009 . . . . . A 79 LEU HD21 . 18349 1 865 . 1 1 79 79 LEU HD22 H 1 0.746 0.009 . . . . . A 79 LEU HD22 . 18349 1 866 . 1 1 79 79 LEU HD23 H 1 0.746 0.009 . . . . . A 79 LEU HD23 . 18349 1 867 . 1 1 79 79 LEU CA C 13 57.082 0.18 . 1 . . . A 79 LEU CA . 18349 1 868 . 1 1 79 79 LEU CB C 13 42.871 0.18 . 1 . . . A 79 LEU CB . 18349 1 869 . 1 1 79 79 LEU CG C 13 26.580 0.18 . 1 . . . A 79 LEU CG . 18349 1 870 . 1 1 79 79 LEU CD1 C 13 25.010 0.18 . 2 . . . A 79 LEU CD1 . 18349 1 871 . 1 1 79 79 LEU CD2 C 13 23.698 0.18 . 2 . . . A 79 LEU CD2 . 18349 1 872 . 1 1 79 79 LEU N N 15 119.315 0.13 . 1 . . . A 79 LEU N . 18349 1 873 . 1 1 80 80 LEU H H 1 7.560 0.009 . 1 . . . A 80 LEU H . 18349 1 874 . 1 1 80 80 LEU HA H 1 4.296 0.009 . 1 . . . A 80 LEU HA . 18349 1 875 . 1 1 80 80 LEU HB2 H 1 1.466 0.009 . 2 . . . A 80 LEU HB2 . 18349 1 876 . 1 1 80 80 LEU HB3 H 1 1.452 0.009 . 2 . . . A 80 LEU HB3 . 18349 1 877 . 1 1 80 80 LEU HG H 1 1.382 0.009 . 1 . . . A 80 LEU HG . 18349 1 878 . 1 1 80 80 LEU HD11 H 1 0.781 0.009 . . . . . A 80 LEU HD11 . 18349 1 879 . 1 1 80 80 LEU HD12 H 1 0.781 0.009 . . . . . A 80 LEU HD12 . 18349 1 880 . 1 1 80 80 LEU HD13 H 1 0.781 0.009 . . . . . A 80 LEU HD13 . 18349 1 881 . 1 1 80 80 LEU HD21 H 1 0.509 0.009 . . . . . A 80 LEU HD21 . 18349 1 882 . 1 1 80 80 LEU HD22 H 1 0.509 0.009 . . . . . A 80 LEU HD22 . 18349 1 883 . 1 1 80 80 LEU HD23 H 1 0.509 0.009 . . . . . A 80 LEU HD23 . 18349 1 884 . 1 1 80 80 LEU CA C 13 53.874 0.18 . 1 . . . A 80 LEU CA . 18349 1 885 . 1 1 80 80 LEU CB C 13 41.708 0.18 . 1 . . . A 80 LEU CB . 18349 1 886 . 1 1 80 80 LEU CG C 13 27.199 0.18 . 1 . . . A 80 LEU CG . 18349 1 887 . 1 1 80 80 LEU CD1 C 13 21.164 0.18 . 2 . . . A 80 LEU CD1 . 18349 1 888 . 1 1 80 80 LEU CD2 C 13 23.330 0.18 . 2 . . . A 80 LEU CD2 . 18349 1 889 . 1 1 80 80 LEU N N 15 114.760 0.13 . 1 . . . A 80 LEU N . 18349 1 890 . 1 1 81 81 LYS H H 1 7.054 0.009 . 1 . . . A 81 LYS H . 18349 1 891 . 1 1 81 81 LYS HA H 1 3.912 0.009 . 1 . . . A 81 LYS HA . 18349 1 892 . 1 1 81 81 LYS HB2 H 1 1.820 0.009 . 2 . . . A 81 LYS HB2 . 18349 1 893 . 1 1 81 81 LYS HB3 H 1 1.820 0.009 . 2 . . . A 81 LYS QB . 18349 1 894 . 1 1 81 81 LYS HG2 H 1 1.372 0.009 . 2 . . . A 81 LYS HG2 . 18349 1 895 . 1 1 81 81 LYS HG3 H 1 1.257 0.009 . 2 . . . A 81 LYS HG3 . 18349 1 896 . 1 1 81 81 LYS HD2 H 1 1.601 0.009 . 2 . . . A 81 LYS HD2 . 18349 1 897 . 1 1 81 81 LYS HD3 H 1 1.601 0.009 . 2 . . . A 81 LYS QD . 18349 1 898 . 1 1 81 81 LYS HE2 H 1 2.947 0.009 . 2 . . . A 81 LYS HE2 . 18349 1 899 . 1 1 81 81 LYS HE3 H 1 2.947 0.009 . 2 . . . A 81 LYS QE . 18349 1 900 . 1 1 81 81 LYS CA C 13 59.201 0.18 . 1 . . . A 81 LYS CA . 18349 1 901 . 1 1 81 81 LYS CB C 13 32.409 0.18 . 1 . . . A 81 LYS CB . 18349 1 902 . 1 1 81 81 LYS CG C 13 23.703 0.18 . 1 . . . A 81 LYS CG . 18349 1 903 . 1 1 81 81 LYS CD C 13 29.741 0.18 . 1 . . . A 81 LYS CD . 18349 1 904 . 1 1 81 81 LYS CE C 13 42.340 0.18 . 1 . . . A 81 LYS CE . 18349 1 905 . 1 1 81 81 LYS N N 15 120.468 0.13 . 1 . . . A 81 LYS N . 18349 1 906 . 1 1 82 82 ASP H H 1 8.456 0.009 . 1 . . . A 82 ASP H . 18349 1 907 . 1 1 82 82 ASP HA H 1 4.693 0.009 . 1 . . . A 82 ASP HA . 18349 1 908 . 1 1 82 82 ASP HB2 H 1 2.682 0.009 . 2 . . . A 82 ASP HB2 . 18349 1 909 . 1 1 82 82 ASP HB3 H 1 2.409 0.009 . 2 . . . A 82 ASP HB3 . 18349 1 910 . 1 1 82 82 ASP CA C 13 55.118 0.18 . 1 . . . A 82 ASP CA . 18349 1 911 . 1 1 82 82 ASP CB C 13 41.445 0.18 . 1 . . . A 82 ASP CB . 18349 1 912 . 1 1 82 82 ASP N N 15 118.031 0.13 . 1 . . . A 82 ASP N . 18349 1 913 . 1 1 83 83 VAL H H 1 7.427 0.009 . 1 . . . A 83 VAL H . 18349 1 914 . 1 1 83 83 VAL HA H 1 4.192 0.009 . 1 . . . A 83 VAL HA . 18349 1 915 . 1 1 83 83 VAL HB H 1 2.042 0.009 . 1 . . . A 83 VAL HB . 18349 1 916 . 1 1 83 83 VAL HG11 H 1 0.763 0.009 . . . . . A 83 VAL HG11 . 18349 1 917 . 1 1 83 83 VAL HG12 H 1 0.763 0.009 . . . . . A 83 VAL HG12 . 18349 1 918 . 1 1 83 83 VAL HG13 H 1 0.763 0.009 . . . . . A 83 VAL HG13 . 18349 1 919 . 1 1 83 83 VAL HG21 H 1 0.782 0.009 . . . . . A 83 VAL HG21 . 18349 1 920 . 1 1 83 83 VAL HG22 H 1 0.782 0.009 . . . . . A 83 VAL HG22 . 18349 1 921 . 1 1 83 83 VAL HG23 H 1 0.782 0.009 . . . . . A 83 VAL HG23 . 18349 1 922 . 1 1 83 83 VAL CA C 13 61.812 0.18 . 1 . . . A 83 VAL CA . 18349 1 923 . 1 1 83 83 VAL CB C 13 32.753 0.18 . 1 . . . A 83 VAL CB . 18349 1 924 . 1 1 83 83 VAL CG1 C 13 21.668 0.18 . 2 . . . A 83 VAL CG1 . 18349 1 925 . 1 1 83 83 VAL CG2 C 13 21.391 0.18 . 2 . . . A 83 VAL CG2 . 18349 1 926 . 1 1 83 83 VAL N N 15 115.842 0.13 . 1 . . . A 83 VAL N . 18349 1 927 . 1 1 84 84 LEU H H 1 7.461 0.009 . 1 . . . A 84 LEU H . 18349 1 928 . 1 1 84 84 LEU HA H 1 4.542 0.009 . 1 . . . A 84 LEU HA . 18349 1 929 . 1 1 84 84 LEU HB2 H 1 1.436 0.009 . 2 . . . A 84 LEU HB2 . 18349 1 930 . 1 1 84 84 LEU HB3 H 1 1.279 0.009 . 2 . . . A 84 LEU HB3 . 18349 1 931 . 1 1 84 84 LEU HG H 1 1.523 0.009 . 1 . . . A 84 LEU HG . 18349 1 932 . 1 1 84 84 LEU HD11 H 1 0.685 0.009 . . . . . A 84 LEU HD11 . 18349 1 933 . 1 1 84 84 LEU HD12 H 1 0.685 0.009 . . . . . A 84 LEU HD12 . 18349 1 934 . 1 1 84 84 LEU HD13 H 1 0.685 0.009 . . . . . A 84 LEU HD13 . 18349 1 935 . 1 1 84 84 LEU HD21 H 1 0.685 0.009 . . . . . A 84 LEU HD21 . 18349 1 936 . 1 1 84 84 LEU HD22 H 1 0.685 0.009 . . . . . A 84 LEU HD22 . 18349 1 937 . 1 1 84 84 LEU HD23 H 1 0.685 0.009 . . . . . A 84 LEU HD23 . 18349 1 938 . 1 1 84 84 LEU CA C 13 52.038 0.18 . 1 . . . A 84 LEU CA . 18349 1 939 . 1 1 84 84 LEU CB C 13 42.140 0.18 . 1 . . . A 84 LEU CB . 18349 1 940 . 1 1 84 84 LEU CG C 13 26.637 0.18 . 1 . . . A 84 LEU CG . 18349 1 941 . 1 1 84 84 LEU CD1 C 13 23.960 0.18 . 2 . . . A 84 LEU CD1 . 18349 1 942 . 1 1 84 84 LEU CD2 C 13 23.957 0.18 . 2 . . . A 84 LEU CD2 . 18349 1 943 . 1 1 84 84 LEU N N 15 123.084 0.13 . 1 . . . A 84 LEU N . 18349 1 944 . 1 1 85 85 PRO HA H 1 4.336 0.009 . 1 . . . A 85 PRO HA . 18349 1 945 . 1 1 85 85 PRO HB2 H 1 2.217 0.009 . 2 . . . A 85 PRO HB2 . 18349 1 946 . 1 1 85 85 PRO HB3 H 1 1.803 0.009 . 2 . . . A 85 PRO HB3 . 18349 1 947 . 1 1 85 85 PRO HG2 H 1 1.847 0.009 . 2 . . . A 85 PRO HG2 . 18349 1 948 . 1 1 85 85 PRO HG3 H 1 1.847 0.009 . 2 . . . A 85 PRO QG . 18349 1 949 . 1 1 85 85 PRO HD2 H 1 3.452 0.009 . 2 . . . A 85 PRO HD2 . 18349 1 950 . 1 1 85 85 PRO HD3 H 1 3.352 0.009 . 2 . . . A 85 PRO HD3 . 18349 1 951 . 1 1 85 85 PRO CA C 13 62.853 0.18 . 1 . . . A 85 PRO CA . 18349 1 952 . 1 1 85 85 PRO CB C 13 32.178 0.18 . 1 . . . A 85 PRO CB . 18349 1 953 . 1 1 85 85 PRO CG C 13 27.425 0.18 . 1 . . . A 85 PRO CG . 18349 1 954 . 1 1 85 85 PRO CD C 13 50.201 0.18 . 1 . . . A 85 PRO CD . 18349 1 955 . 1 1 86 86 GLN H H 1 8.460 0.009 . 1 . . . A 86 GLN H . 18349 1 956 . 1 1 86 86 GLN HA H 1 4.144 0.009 . 1 . . . A 86 GLN HA . 18349 1 957 . 1 1 86 86 GLN HB2 H 1 1.864 0.009 . 2 . . . A 86 GLN HB2 . 18349 1 958 . 1 1 86 86 GLN HB3 H 1 2.031 0.009 . 2 . . . A 86 GLN HB3 . 18349 1 959 . 1 1 86 86 GLN HG2 H 1 2.308 0.009 . 2 . . . A 86 GLN HG2 . 18349 1 960 . 1 1 86 86 GLN HG3 H 1 2.308 0.009 . 2 . . . A 86 GLN QG . 18349 1 961 . 1 1 86 86 GLN HE21 H 1 7.580 0.009 . 2 . . . A 86 GLN HE21 . 18349 1 962 . 1 1 86 86 GLN HE22 H 1 6.798 0.009 . 2 . . . A 86 GLN HE22 . 18349 1 963 . 1 1 86 86 GLN CA C 13 55.689 0.18 . 1 . . . A 86 GLN CA . 18349 1 964 . 1 1 86 86 GLN CB C 13 29.618 0.18 . 1 . . . A 86 GLN CB . 18349 1 965 . 1 1 86 86 GLN CG C 13 33.828 0.18 . 1 . . . A 86 GLN CG . 18349 1 966 . 1 1 86 86 GLN N N 15 121.533 0.13 . 1 . . . A 86 GLN N . 18349 1 967 . 1 1 86 86 GLN NE2 N 15 113.849 0.13 . 1 . . . A 86 GLN NE2 . 18349 1 968 . 1 1 87 87 LYS H H 1 8.168 0.009 . 1 . . . A 87 LYS H . 18349 1 969 . 1 1 87 87 LYS HA H 1 4.246 0.009 . 1 . . . A 87 LYS HA . 18349 1 970 . 1 1 87 87 LYS HB2 H 1 1.756 0.009 . 2 . . . A 87 LYS HB2 . 18349 1 971 . 1 1 87 87 LYS HB3 H 1 1.658 0.009 . 2 . . . A 87 LYS HB3 . 18349 1 972 . 1 1 87 87 LYS HG2 H 1 1.346 0.009 . 2 . . . A 87 LYS HG2 . 18349 1 973 . 1 1 87 87 LYS HG3 H 1 1.346 0.009 . 2 . . . A 87 LYS QG . 18349 1 974 . 1 1 87 87 LYS HD2 H 1 1.612 0.009 . 2 . . . A 87 LYS HD2 . 18349 1 975 . 1 1 87 87 LYS HD3 H 1 1.612 0.009 . 2 . . . A 87 LYS QD . 18349 1 976 . 1 1 87 87 LYS CA C 13 56.241 0.18 . 1 . . . A 87 LYS CA . 18349 1 977 . 1 1 87 87 LYS CB C 13 33.528 0.18 . 1 . . . A 87 LYS CB . 18349 1 978 . 1 1 87 87 LYS CG C 13 24.546 0.18 . 1 . . . A 87 LYS CG . 18349 1 979 . 1 1 87 87 LYS CD C 13 29.330 0.18 . 1 . . . A 87 LYS CD . 18349 1 980 . 1 1 87 87 LYS N N 15 123.688 0.13 . 1 . . . A 87 LYS N . 18349 1 981 . 1 1 88 88 GLU H H 1 8.043 0.009 . 1 . . . A 88 GLU H . 18349 1 982 . 1 1 88 88 GLU HA H 1 4.044 0.009 . 1 . . . A 88 GLU HA . 18349 1 983 . 1 1 88 88 GLU HB2 H 1 1.969 0.009 . 2 . . . A 88 GLU HB2 . 18349 1 984 . 1 1 88 88 GLU HB3 H 1 1.811 0.009 . 2 . . . A 88 GLU HB3 . 18349 1 985 . 1 1 88 88 GLU HG2 H 1 2.131 0.009 . 2 . . . A 88 GLU HG2 . 18349 1 986 . 1 1 88 88 GLU HG3 H 1 2.131 0.009 . 2 . . . A 88 GLU QG . 18349 1 987 . 1 1 88 88 GLU CA C 13 57.996 0.18 . 1 . . . A 88 GLU CA . 18349 1 988 . 1 1 88 88 GLU CB C 13 31.170 0.18 . 1 . . . A 88 GLU CB . 18349 1 989 . 1 1 88 88 GLU CG C 13 36.791 0.18 . 1 . . . A 88 GLU CG . 18349 1 990 . 1 1 88 88 GLU N N 15 128.983 0.13 . 1 . . . A 88 GLU N . 18349 1 stop_ save_