data_5341 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5341 _Entry.Title ; 1H, 13C, and 15N backbone assignment of an extended N-terminal, DNA-binding domain construct of the replication initiation protein from a geminivirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-04-09 _Entry.Accession_date 2002-04-09 _Entry.Last_release_date 2002-11-04 _Entry.Original_release_date 2002-11-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ramon Campos-Olivas . . . 5341 2 John Louis . M. . 5341 3 Bruno Gronenborn . . . 5341 4 Angela Gronenborn . M. . 5341 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5341 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 172 5341 '13C chemical shifts' 290 5341 '15N chemical shifts' 156 5341 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 . . 2002-11-04 2002-04-09 original author . 5341 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5297 'shorter protein, containing Rep4-121.' 5341 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5341 _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 ; 1H, 13C, and 15N assignment of the N-terminal, catalytic domain of the replication initiation protein from the geminivirus TYLCV ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 73 _Citation.Page_last 74 _Citation.Year 2002 _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 Ramon Campos-Olivas . . . 5341 1 2 John Louis . M. . 5341 1 3 D. Clerot . . . 5341 1 4 Bruno Gronenborn . . . 5341 1 5 Angela Gronenborn . M. . 5341 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NTD-Rep _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NTD-Rep _Assembly.Entry_ID 5341 _Assembly.ID 1 _Assembly.Name 'N-terminal DNA-binding domain of Rep protein from a geminivirus' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5341 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NTD-Rep, H6_rep1-136' 1 $H6_rep1-136 . . . native . . . . . 5341 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal DNA-binding domain of Rep protein from a geminivirus' system 5341 1 'NTD-Rep, DBD-Rep, Rep' abbreviation 5341 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Initiation of geminiviral replication (nuclease)' 5341 1 'Termination of replication (ligase)' 5341 1 'genome replication specificity determinant' 5341 1 'Transcriptional autorepressor' 5341 1 'Transcriptional Activator' 5341 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H6_rep1-136 _Entity.Sf_category entity _Entity.Sf_framecode H6_rep1-136 _Entity.Entry_ID 5341 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal DNA-binding domain of Rep protein from a geminivirus' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGIPGSGSGDD DDKMPRSGRFSIKAKNYFLT YPKCDLTKENALSQITNLQT PTNKLFIKICRELHENGEPH LHILIQFEGKYNCTNQRFFD LVSPTRSAHFHPNIQGAKSS SDVKSYIDKDGDVLEWGTFQ IDGRSARGGQQTANDAYAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17922.92 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5297 . rep4-121 . . . . . 74.21 118 100.00 100.00 5.43e-82 . . . . 5341 1 2 no PDB 1L2M . "Minimized Average Structure Of The N-Terminal, Dna-Binding Domain Of The Replication Initiation Protein From A Geminivirus (Tom" . . . . . 74.21 118 100.00 100.00 5.43e-82 . . . . 5341 1 3 no PDB 1L5I . "30-Conformer Nmr Ensemble Of The N-Terminal, Dna-Binding Domain Of The Replication Initiation Protein From A Geminivirus (Tomat" . . . . . 74.21 118 100.00 100.00 5.43e-82 . . . . 5341 1 4 no EMBL CAA43466 . "Rep protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 85.53 359 100.00 100.00 6.19e-94 . . . . 5341 1 5 no GB ACE02956 . "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 52.20 93 98.80 100.00 4.01e-54 . . . . 5341 1 6 no GB ACE02974 . "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 52.20 93 98.80 100.00 4.01e-54 . . . . 5341 1 7 no GB ADF43040 . "Rep protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 85.53 359 98.53 99.26 1.04e-92 . . . . 5341 1 8 no GB AFQ00071 . "C1 [Tomato yellow leaf curl Sardinia virus]" . . . . . 85.53 359 100.00 100.00 6.19e-94 . . . . 5341 1 9 no REF NP_620741 . "Rep protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 85.53 359 100.00 100.00 6.19e-94 . . . . 5341 1 10 no SP P27260 . "RecName: Full=Replication-associated protein; Short=Rep; AltName: Full=Protein C1 [Tomato yellow leaf curl Sardinia virus]" . . . . . 85.53 359 100.00 100.00 6.19e-94 . . . . 5341 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal DNA-binding domain of Rep protein from a geminivirus' common 5341 1 H6_rep1-136 variant 5341 1 'NTD-Rep, DBD-Rep, Rep' abbreviation 5341 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 -23 MET . 5341 1 2 -22 ARG . 5341 1 3 -21 GLY . 5341 1 4 -20 SER . 5341 1 5 -19 HIS . 5341 1 6 -18 HIS . 5341 1 7 -17 HIS . 5341 1 8 -16 HIS . 5341 1 9 -15 HIS . 5341 1 10 -14 HIS . 5341 1 11 -13 GLY . 5341 1 12 -12 ILE . 5341 1 13 -11 PRO . 5341 1 14 -10 GLY . 5341 1 15 -9 SER . 5341 1 16 -8 GLY . 5341 1 17 -7 SER . 5341 1 18 -6 GLY . 5341 1 19 -5 ASP . 5341 1 20 -4 ASP . 5341 1 21 -3 ASP . 5341 1 22 -2 ASP . 5341 1 23 -1 LYS . 5341 1 24 1 MET . 5341 1 25 2 PRO . 5341 1 26 3 ARG . 5341 1 27 4 SER . 5341 1 28 5 GLY . 5341 1 29 6 ARG . 5341 1 30 7 PHE . 5341 1 31 8 SER . 5341 1 32 9 ILE . 5341 1 33 10 LYS . 5341 1 34 11 ALA . 5341 1 35 12 LYS . 5341 1 36 13 ASN . 5341 1 37 14 TYR . 5341 1 38 15 PHE . 5341 1 39 16 LEU . 5341 1 40 17 THR . 5341 1 41 18 TYR . 5341 1 42 19 PRO . 5341 1 43 20 LYS . 5341 1 44 21 CYS . 5341 1 45 22 ASP . 5341 1 46 23 LEU . 5341 1 47 24 THR . 5341 1 48 25 LYS . 5341 1 49 26 GLU . 5341 1 50 27 ASN . 5341 1 51 28 ALA . 5341 1 52 29 LEU . 5341 1 53 30 SER . 5341 1 54 31 GLN . 5341 1 55 32 ILE . 5341 1 56 33 THR . 5341 1 57 34 ASN . 5341 1 58 35 LEU . 5341 1 59 36 GLN . 5341 1 60 37 THR . 5341 1 61 38 PRO . 5341 1 62 39 THR . 5341 1 63 40 ASN . 5341 1 64 41 LYS . 5341 1 65 42 LEU . 5341 1 66 43 PHE . 5341 1 67 44 ILE . 5341 1 68 45 LYS . 5341 1 69 46 ILE . 5341 1 70 47 CYS . 5341 1 71 48 ARG . 5341 1 72 49 GLU . 5341 1 73 50 LEU . 5341 1 74 51 HIS . 5341 1 75 52 GLU . 5341 1 76 53 ASN . 5341 1 77 54 GLY . 5341 1 78 55 GLU . 5341 1 79 56 PRO . 5341 1 80 57 HIS . 5341 1 81 58 LEU . 5341 1 82 59 HIS . 5341 1 83 60 ILE . 5341 1 84 61 LEU . 5341 1 85 62 ILE . 5341 1 86 63 GLN . 5341 1 87 64 PHE . 5341 1 88 65 GLU . 5341 1 89 66 GLY . 5341 1 90 67 LYS . 5341 1 91 68 TYR . 5341 1 92 69 ASN . 5341 1 93 70 CYS . 5341 1 94 71 THR . 5341 1 95 72 ASN . 5341 1 96 73 GLN . 5341 1 97 74 ARG . 5341 1 98 75 PHE . 5341 1 99 76 PHE . 5341 1 100 77 ASP . 5341 1 101 78 LEU . 5341 1 102 79 VAL . 5341 1 103 80 SER . 5341 1 104 81 PRO . 5341 1 105 82 THR . 5341 1 106 83 ARG . 5341 1 107 84 SER . 5341 1 108 85 ALA . 5341 1 109 86 HIS . 5341 1 110 87 PHE . 5341 1 111 88 HIS . 5341 1 112 89 PRO . 5341 1 113 90 ASN . 5341 1 114 91 ILE . 5341 1 115 92 GLN . 5341 1 116 93 GLY . 5341 1 117 94 ALA . 5341 1 118 95 LYS . 5341 1 119 96 SER . 5341 1 120 97 SER . 5341 1 121 98 SER . 5341 1 122 99 ASP . 5341 1 123 100 VAL . 5341 1 124 101 LYS . 5341 1 125 102 SER . 5341 1 126 103 TYR . 5341 1 127 104 ILE . 5341 1 128 105 ASP . 5341 1 129 106 LYS . 5341 1 130 107 ASP . 5341 1 131 108 GLY . 5341 1 132 109 ASP . 5341 1 133 110 VAL . 5341 1 134 111 LEU . 5341 1 135 112 GLU . 5341 1 136 113 TRP . 5341 1 137 114 GLY . 5341 1 138 115 THR . 5341 1 139 116 PHE . 5341 1 140 117 GLN . 5341 1 141 118 ILE . 5341 1 142 119 ASP . 5341 1 143 120 GLY . 5341 1 144 121 ARG . 5341 1 145 122 SER . 5341 1 146 123 ALA . 5341 1 147 124 ARG . 5341 1 148 125 GLY . 5341 1 149 126 GLY . 5341 1 150 127 GLN . 5341 1 151 128 GLN . 5341 1 152 129 THR . 5341 1 153 130 ALA . 5341 1 154 131 ASN . 5341 1 155 132 ASP . 5341 1 156 133 ALA . 5341 1 157 134 TYR . 5341 1 158 135 ALA . 5341 1 159 136 LYS . 5341 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5341 1 . ARG 2 2 5341 1 . GLY 3 3 5341 1 . SER 4 4 5341 1 . HIS 5 5 5341 1 . HIS 6 6 5341 1 . HIS 7 7 5341 1 . HIS 8 8 5341 1 . HIS 9 9 5341 1 . HIS 10 10 5341 1 . GLY 11 11 5341 1 . ILE 12 12 5341 1 . PRO 13 13 5341 1 . GLY 14 14 5341 1 . SER 15 15 5341 1 . GLY 16 16 5341 1 . SER 17 17 5341 1 . GLY 18 18 5341 1 . ASP 19 19 5341 1 . ASP 20 20 5341 1 . ASP 21 21 5341 1 . ASP 22 22 5341 1 . LYS 23 23 5341 1 . MET 24 24 5341 1 . PRO 25 25 5341 1 . ARG 26 26 5341 1 . SER 27 27 5341 1 . GLY 28 28 5341 1 . ARG 29 29 5341 1 . PHE 30 30 5341 1 . SER 31 31 5341 1 . ILE 32 32 5341 1 . LYS 33 33 5341 1 . ALA 34 34 5341 1 . LYS 35 35 5341 1 . ASN 36 36 5341 1 . TYR 37 37 5341 1 . PHE 38 38 5341 1 . LEU 39 39 5341 1 . THR 40 40 5341 1 . TYR 41 41 5341 1 . PRO 42 42 5341 1 . LYS 43 43 5341 1 . CYS 44 44 5341 1 . ASP 45 45 5341 1 . LEU 46 46 5341 1 . THR 47 47 5341 1 . LYS 48 48 5341 1 . GLU 49 49 5341 1 . ASN 50 50 5341 1 . ALA 51 51 5341 1 . LEU 52 52 5341 1 . SER 53 53 5341 1 . GLN 54 54 5341 1 . ILE 55 55 5341 1 . THR 56 56 5341 1 . ASN 57 57 5341 1 . LEU 58 58 5341 1 . GLN 59 59 5341 1 . THR 60 60 5341 1 . PRO 61 61 5341 1 . THR 62 62 5341 1 . ASN 63 63 5341 1 . LYS 64 64 5341 1 . LEU 65 65 5341 1 . PHE 66 66 5341 1 . ILE 67 67 5341 1 . LYS 68 68 5341 1 . ILE 69 69 5341 1 . CYS 70 70 5341 1 . ARG 71 71 5341 1 . GLU 72 72 5341 1 . LEU 73 73 5341 1 . HIS 74 74 5341 1 . GLU 75 75 5341 1 . ASN 76 76 5341 1 . GLY 77 77 5341 1 . GLU 78 78 5341 1 . PRO 79 79 5341 1 . HIS 80 80 5341 1 . LEU 81 81 5341 1 . HIS 82 82 5341 1 . ILE 83 83 5341 1 . LEU 84 84 5341 1 . ILE 85 85 5341 1 . GLN 86 86 5341 1 . PHE 87 87 5341 1 . GLU 88 88 5341 1 . GLY 89 89 5341 1 . LYS 90 90 5341 1 . TYR 91 91 5341 1 . ASN 92 92 5341 1 . CYS 93 93 5341 1 . THR 94 94 5341 1 . ASN 95 95 5341 1 . GLN 96 96 5341 1 . ARG 97 97 5341 1 . PHE 98 98 5341 1 . PHE 99 99 5341 1 . ASP 100 100 5341 1 . LEU 101 101 5341 1 . VAL 102 102 5341 1 . SER 103 103 5341 1 . PRO 104 104 5341 1 . THR 105 105 5341 1 . ARG 106 106 5341 1 . SER 107 107 5341 1 . ALA 108 108 5341 1 . HIS 109 109 5341 1 . PHE 110 110 5341 1 . HIS 111 111 5341 1 . PRO 112 112 5341 1 . ASN 113 113 5341 1 . ILE 114 114 5341 1 . GLN 115 115 5341 1 . GLY 116 116 5341 1 . ALA 117 117 5341 1 . LYS 118 118 5341 1 . SER 119 119 5341 1 . SER 120 120 5341 1 . SER 121 121 5341 1 . ASP 122 122 5341 1 . VAL 123 123 5341 1 . LYS 124 124 5341 1 . SER 125 125 5341 1 . TYR 126 126 5341 1 . ILE 127 127 5341 1 . ASP 128 128 5341 1 . LYS 129 129 5341 1 . ASP 130 130 5341 1 . GLY 131 131 5341 1 . ASP 132 132 5341 1 . VAL 133 133 5341 1 . LEU 134 134 5341 1 . GLU 135 135 5341 1 . TRP 136 136 5341 1 . GLY 137 137 5341 1 . THR 138 138 5341 1 . PHE 139 139 5341 1 . GLN 140 140 5341 1 . ILE 141 141 5341 1 . ASP 142 142 5341 1 . GLY 143 143 5341 1 . ARG 144 144 5341 1 . SER 145 145 5341 1 . ALA 146 146 5341 1 . ARG 147 147 5341 1 . GLY 148 148 5341 1 . GLY 149 149 5341 1 . GLN 150 150 5341 1 . GLN 151 151 5341 1 . THR 152 152 5341 1 . ALA 153 153 5341 1 . ASN 154 154 5341 1 . ASP 155 155 5341 1 . ALA 156 156 5341 1 . TYR 157 157 5341 1 . ALA 158 158 5341 1 . LYS 159 159 5341 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 5341 _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 $H6_rep1-136 . 123735 . . 'Begomovirus Tomato yellow leaf curl virus - Sardinia' 'Tomato yellow leaf curl virus - Sardinia' . . Viruses . Begomovirus 'Tomato yellow leaf curl virus - Sardinia' Sardinia . . . . . . . . . . . . . . . 'rep, ac1, c1' . . . . 5341 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 5341 _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 $H6_rep1-136 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; DNA coding for rep1-136 was inserted into plasmid pQE-32 and overexpressed in E.coli strain M15pRep4 (Qiagen), resulting in production of H6_rep1-136, that contains a non-native N-terminal tag of 23 residues, including a row of 6 his. For the complete assignment, the shorter construct rep4-121 was produced by proteolysis of H6-rep1-136 with factor Xa. These are reported in the related entry BMRB-5297. ; . . 5341 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5341 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[10%-13C; U-99% 15N]' . . 1 $H6_rep1-136 . . . 0.6 0.8 mM . . . . 5341 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5341 1 3 NaCl . . . . . . . 300 . . mM . . . . 5341 1 4 DTT . . . . . . . 1 . . mM . . . . 5341 1 5 D2O . . . . . . . 8 . . % . . . . 5341 1 6 H2O . . . . . . . 92 . . % . . . . 5341 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 5341 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[U-13C; U-99% 15N]' . . 1 $H6_rep1-136 . . . 0.6 0.8 mM . . . . 5341 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5341 2 3 NaCl . . . . . . . 300 . . mM . . . . 5341 2 4 DTT . . . . . . . 1 . . mM . . . . 5341 2 5 D2O . . . . . . . 8 . . % . . . . 5341 2 6 H2O . . . . . . . 92 . . % . . . . 5341 2 stop_ save_ save_sample3 _Sample.Sf_category sample _Sample.Sf_framecode sample3 _Sample.Entry_ID 5341 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[U-10% 13C; U-99% 15N]' . . 1 $H6_rep1-136 . . . 0.6 0.8 mM . . . . 5341 3 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5341 3 3 NaCl . . . . . . . 300 . . mM . . . . 5341 3 4 DTT . . . . . . . 1 . . mM . . . . 5341 3 5 D2O . . . . . . . 100 . . % . . . . 5341 3 stop_ save_ save_sample4 _Sample.Sf_category sample _Sample.Sf_framecode sample4 _Sample.Entry_ID 5341 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[U-13C; U-99% 15N]' . . 1 $H6_rep1-136 . . . 0.6 0.8 mM . . . . 5341 4 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5341 4 3 NaCl . . . . . . . 300 . . mM . . . . 5341 4 4 DTT . . . . . . . 1 . . mM . . . . 5341 4 5 D2O . . . . . . . 100 . . % . . . . 5341 4 stop_ save_ ####################### # Sample conditions # ####################### save_cond_H2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_H2O _Sample_condition_list.Entry_ID 5341 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 0.1 n/a 5341 1 temperature 298 0.5 K 5341 1 'ionic strength' 1.0 0.02 M 5341 1 stop_ save_ save_cond_D2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_D2O _Sample_condition_list.Entry_ID 5341 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6.6 0.1 n/a 5341 2 temperature 298 0.5 K 5341 2 'ionic strength' 1.0 0.02 M 5341 2 stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Software.Sf_category software _Software.Sf_framecode nmrpipe _Software.Entry_ID 5341 _Software.ID 1 _Software.Name nmrpipe _Software.Version . _Software.Details http://spin.niddk.nih.gov/bax/ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5341 1 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 5341 _Software.ID 2 _Software.Name nmrview _Software.Version 4.1.1 _Software.Details http://www.nmrview.com/index.html loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5341 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5341 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5341 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5341 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5341 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 5341 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5341 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 5341 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5341 1 3 NMR_spectrometer_3 Bruker DRX . 600 . . . 5341 1 4 NMR_spectrometer_4 Bruker DMX . 750 . . . 5341 1 5 NMR_spectrometer_5 Bruker DRX . 800 . . . 5341 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 5341 _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-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 3 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 4 '2D 1H-13C HSQC/HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 5 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 6 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 7 '3D HNCOCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 8 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 9 '3D CC(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 10 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 11 '3D 15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 12 '4D 13C,13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5341 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-13C HSQC/HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCOCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D CC(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5341 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '4D 13C,13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5341 _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 H 1 H2O protons . . . . ppm 4.774 internal direct 1.0 . . . . . . . . . 5341 1 N 15 H2O protons . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5341 1 C 13 H2O protons . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5341 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_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_set_1 _Assigned_chem_shift_list.Entry_ID 5341 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_H2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 5341 1 . . 2 $sample2 . 5341 1 . . 3 $sample3 . 5341 1 . . 4 $sample4 . 5341 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 2 2 ARG CA C 13 56.52 0.1 . 1 . . . . . . . . 5341 1 2 . 1 1 2 2 ARG C C 13 176.30 0.1 . 1 . . . . . . . . 5341 1 3 . 1 1 3 3 GLY N N 15 110.94 0.05 . 1 . . . . . . . . 5341 1 4 . 1 1 3 3 GLY H H 1 8.64 0.04 . 1 . . . . . . . . 5341 1 5 . 1 1 3 3 GLY CA C 13 45.18 0.1 . 1 . . . . . . . . 5341 1 6 . 1 1 3 3 GLY C C 13 173.64 0.1 . 1 . . . . . . . . 5341 1 7 . 1 1 4 4 SER N N 15 121.51 0.05 . 1 . . . . . . . . 5341 1 8 . 1 1 4 4 SER H H 1 8.11 0.04 . 1 . . . . . . . . 5341 1 9 . 1 1 4 4 SER CA C 13 58.76 0.1 . 1 . . . . . . . . 5341 1 10 . 1 1 10 10 HIS CA C 13 56.18 0.1 . 1 . . . . . . . . 5341 1 11 . 1 1 10 10 HIS C C 13 175.46 0.1 . 1 . . . . . . . . 5341 1 12 . 1 1 11 11 GLY N N 15 110.14 0.05 . 1 . . . . . . . . 5341 1 13 . 1 1 11 11 GLY H H 1 8.43 0.04 . 1 . . . . . . . . 5341 1 14 . 1 1 11 11 GLY CA C 13 45.16 0.1 . 1 . . . . . . . . 5341 1 15 . 1 1 11 11 GLY C C 13 172.73 0.1 . 1 . . . . . . . . 5341 1 16 . 1 1 12 12 ILE N N 15 119.68 0.05 . 1 . . . . . . . . 5341 1 17 . 1 1 12 12 ILE H H 1 7.83 0.04 . 1 . . . . . . . . 5341 1 18 . 1 1 12 12 ILE CA C 13 58.07 0.1 . 1 . . . . . . . . 5341 1 19 . 1 1 13 13 PRO CA C 13 63.70 0.1 . 1 . . . . . . . . 5341 1 20 . 1 1 13 13 PRO C C 13 177.50 0.1 . 1 . . . . . . . . 5341 1 21 . 1 1 14 14 GLY N N 15 110.10 0.05 . 1 . . . . . . . . 5341 1 22 . 1 1 14 14 GLY H H 1 8.58 0.04 . 1 . . . . . . . . 5341 1 23 . 1 1 14 14 GLY CA C 13 45.40 0.1 . 1 . . . . . . . . 5341 1 24 . 1 1 14 14 GLY C C 13 174.49 0.1 . 1 . . . . . . . . 5341 1 25 . 1 1 15 15 SER N N 15 115.40 0.05 . 1 . . . . . . . . 5341 1 26 . 1 1 15 15 SER H H 1 8.27 0.04 . 1 . . . . . . . . 5341 1 27 . 1 1 15 15 SER CA C 13 58.58 0.1 . 1 . . . . . . . . 5341 1 28 . 1 1 15 15 SER C C 13 175.10 0.1 . 1 . . . . . . . . 5341 1 29 . 1 1 16 16 GLY N N 15 110.78 0.05 . 1 . . . . . . . . 5341 1 30 . 1 1 16 16 GLY H H 1 8.46 0.04 . 1 . . . . . . . . 5341 1 31 . 1 1 16 16 GLY CA C 13 45.42 0.1 . 1 . . . . . . . . 5341 1 32 . 1 1 16 16 GLY C C 13 174.33 0.1 . 1 . . . . . . . . 5341 1 33 . 1 1 17 17 SER N N 15 115.63 0.05 . 1 . . . . . . . . 5341 1 34 . 1 1 17 17 SER H H 1 8.35 0.04 . 1 . . . . . . . . 5341 1 35 . 1 1 17 17 SER CA C 13 58.51 0.1 . 1 . . . . . . . . 5341 1 36 . 1 1 17 17 SER C C 13 175.15 0.1 . 1 . . . . . . . . 5341 1 37 . 1 1 18 18 GLY N N 15 111.10 0.05 . 1 . . . . . . . . 5341 1 38 . 1 1 18 18 GLY H H 1 8.56 0.04 . 1 . . . . . . . . 5341 1 39 . 1 1 18 18 GLY CA C 13 45.48 0.1 . 1 . . . . . . . . 5341 1 40 . 1 1 19 19 ASP C C 13 176.34 0.1 . 1 . . . . . . . . 5341 1 41 . 1 1 20 20 ASP N N 15 120.25 0.05 . 1 . . . . . . . . 5341 1 42 . 1 1 20 20 ASP H H 1 8.28 0.04 . 1 . . . . . . . . 5341 1 43 . 1 1 20 20 ASP CA C 13 54.76 0.1 . 1 . . . . . . . . 5341 1 44 . 1 1 20 20 ASP C C 13 176.19 0.1 . 1 . . . . . . . . 5341 1 45 . 1 1 21 21 ASP N N 15 120.08 0.05 . 1 . . . . . . . . 5341 1 46 . 1 1 21 21 ASP H H 1 8.35 0.04 . 1 . . . . . . . . 5341 1 47 . 1 1 21 21 ASP CA C 13 54.60 0.1 . 1 . . . . . . . . 5341 1 48 . 1 1 21 21 ASP C C 13 176.29 0.1 . 1 . . . . . . . . 5341 1 49 . 1 1 22 22 ASP N N 15 120.44 0.05 . 1 . . . . . . . . 5341 1 50 . 1 1 22 22 ASP H H 1 8.27 0.04 . 1 . . . . . . . . 5341 1 51 . 1 1 22 22 ASP CA C 13 54.75 0.1 . 1 . . . . . . . . 5341 1 52 . 1 1 22 22 ASP C C 13 176.43 0.1 . 1 . . . . . . . . 5341 1 53 . 1 1 23 23 LYS N N 15 119.87 0.05 . 1 . . . . . . . . 5341 1 54 . 1 1 23 23 LYS H H 1 8.13 0.04 . 1 . . . . . . . . 5341 1 55 . 1 1 23 23 LYS CA C 13 56.33 0.1 . 1 . . . . . . . . 5341 1 56 . 1 1 23 23 LYS C C 13 176.69 0.1 . 1 . . . . . . . . 5341 1 57 . 1 1 24 24 MET N N 15 121.36 0.05 . 1 . . . . . . . . 5341 1 58 . 1 1 24 24 MET H H 1 8.16 0.04 . 1 . . . . . . . . 5341 1 59 . 1 1 24 24 MET CA C 13 53.52 0.1 . 1 . . . . . . . . 5341 1 60 . 1 1 25 25 PRO CA C 13 63.24 0.1 . 1 . . . . . . . . 5341 1 61 . 1 1 25 25 PRO C C 13 177.19 0.1 . 1 . . . . . . . . 5341 1 62 . 1 1 26 26 ARG N N 15 121.69 0.05 . 1 . . . . . . . . 5341 1 63 . 1 1 26 26 ARG H H 1 8.58 0.04 . 1 . . . . . . . . 5341 1 64 . 1 1 26 26 ARG CA C 13 56.39 0.1 . 1 . . . . . . . . 5341 1 65 . 1 1 26 26 ARG C C 13 176.71 0.1 . 1 . . . . . . . . 5341 1 66 . 1 1 27 27 SER N N 15 116.22 0.05 . 1 . . . . . . . . 5341 1 67 . 1 1 27 27 SER H H 1 8.38 0.04 . 1 . . . . . . . . 5341 1 68 . 1 1 27 27 SER CA C 13 58.53 0.1 . 1 . . . . . . . . 5341 1 69 . 1 1 27 27 SER C C 13 175.26 0.1 . 1 . . . . . . . . 5341 1 70 . 1 1 28 28 GLY N N 15 111.22 0.05 . 1 . . . . . . . . 5341 1 71 . 1 1 28 28 GLY H H 1 8.61 0.04 . 1 . . . . . . . . 5341 1 72 . 1 1 28 28 GLY CA C 13 45.39 0.1 . 1 . . . . . . . . 5341 1 73 . 1 1 28 28 GLY C C 13 173.98 0.1 . 1 . . . . . . . . 5341 1 74 . 1 1 29 29 ARG N N 15 120.43 0.05 . 1 . . . . . . . . 5341 1 75 . 1 1 29 29 ARG H H 1 8.14 0.04 . 1 . . . . . . . . 5341 1 76 . 1 1 29 29 ARG CA C 13 56.02 0.1 . 1 . . . . . . . . 5341 1 77 . 1 1 29 29 ARG C C 13 175.57 0.1 . 1 . . . . . . . . 5341 1 78 . 1 1 30 30 PHE N N 15 125.00 0.05 . 1 . . . . . . . . 5341 1 79 . 1 1 30 30 PHE H H 1 8.57 0.04 . 1 . . . . . . . . 5341 1 80 . 1 1 30 30 PHE CA C 13 58.67 0.1 . 1 . . . . . . . . 5341 1 81 . 1 1 30 30 PHE C C 13 174.70 0.1 . 1 . . . . . . . . 5341 1 82 . 1 1 31 31 SER N N 15 120.34 0.05 . 1 . . . . . . . . 5341 1 83 . 1 1 31 31 SER H H 1 7.64 0.04 . 1 . . . . . . . . 5341 1 84 . 1 1 31 31 SER CA C 13 57.73 0.1 . 1 . . . . . . . . 5341 1 85 . 1 1 31 31 SER C C 13 173.01 0.1 . 1 . . . . . . . . 5341 1 86 . 1 1 32 32 ILE N N 15 127.17 0.05 . 1 . . . . . . . . 5341 1 87 . 1 1 32 32 ILE H H 1 8.09 0.04 . 1 . . . . . . . . 5341 1 88 . 1 1 32 32 ILE CA C 13 60.17 0.1 . 1 . . . . . . . . 5341 1 89 . 1 1 32 32 ILE C C 13 174.19 0.1 . 1 . . . . . . . . 5341 1 90 . 1 1 33 33 LYS N N 15 127.18 0.05 . 1 . . . . . . . . 5341 1 91 . 1 1 33 33 LYS H H 1 8.62 0.04 . 1 . . . . . . . . 5341 1 92 . 1 1 33 33 LYS CA C 13 55.74 0.1 . 1 . . . . . . . . 5341 1 93 . 1 1 33 33 LYS C C 13 174.47 0.1 . 1 . . . . . . . . 5341 1 94 . 1 1 34 34 ALA N N 15 124.00 0.05 . 1 . . . . . . . . 5341 1 95 . 1 1 34 34 ALA H H 1 7.89 0.04 . 1 . . . . . . . . 5341 1 96 . 1 1 34 34 ALA CA C 13 52.02 0.1 . 1 . . . . . . . . 5341 1 97 . 1 1 34 34 ALA C C 13 175.59 0.1 . 1 . . . . . . . . 5341 1 98 . 1 1 35 35 LYS N N 15 121.76 0.05 . 1 . . . . . . . . 5341 1 99 . 1 1 35 35 LYS H H 1 8.94 0.04 . 1 . . . . . . . . 5341 1 100 . 1 1 35 35 LYS CA C 13 58.19 0.1 . 1 . . . . . . . . 5341 1 101 . 1 1 35 35 LYS C C 13 174.60 0.1 . 1 . . . . . . . . 5341 1 102 . 1 1 36 36 ASN N N 15 114.91 0.05 . 1 . . . . . . . . 5341 1 103 . 1 1 36 36 ASN H H 1 7.81 0.04 . 1 . . . . . . . . 5341 1 104 . 1 1 36 36 ASN CA C 13 51.85 0.1 . 1 . . . . . . . . 5341 1 105 . 1 1 36 36 ASN ND2 N 15 113.06 0.05 . 1 . . . . . . . . 5341 1 106 . 1 1 36 36 ASN HD21 H 1 7.23 0.04 . 1 . . . . . . . . 5341 1 107 . 1 1 36 36 ASN HD22 H 1 7.14 0.04 . 1 . . . . . . . . 5341 1 108 . 1 1 36 36 ASN C C 13 173.55 0.1 . 1 . . . . . . . . 5341 1 109 . 1 1 37 37 TYR N N 15 123.57 0.05 . 1 . . . . . . . . 5341 1 110 . 1 1 37 37 TYR H H 1 9.61 0.04 . 1 . . . . . . . . 5341 1 111 . 1 1 37 37 TYR CA C 13 57.70 0.1 . 1 . . . . . . . . 5341 1 112 . 1 1 37 37 TYR C C 13 173.93 0.1 . 1 . . . . . . . . 5341 1 113 . 1 1 38 38 PHE N N 15 120.13 0.05 . 1 . . . . . . . . 5341 1 114 . 1 1 38 38 PHE H H 1 9.12 0.04 . 1 . . . . . . . . 5341 1 115 . 1 1 38 38 PHE CA C 13 56.44 0.1 . 1 . . . . . . . . 5341 1 116 . 1 1 38 38 PHE C C 13 174.58 0.1 . 1 . . . . . . . . 5341 1 117 . 1 1 39 39 LEU N N 15 126.37 0.05 . 1 . . . . . . . . 5341 1 118 . 1 1 39 39 LEU H H 1 9.43 0.04 . 1 . . . . . . . . 5341 1 119 . 1 1 39 39 LEU CA C 13 52.83 0.1 . 1 . . . . . . . . 5341 1 120 . 1 1 39 39 LEU C C 13 176.27 0.1 . 1 . . . . . . . . 5341 1 121 . 1 1 40 40 THR N N 15 117.77 0.05 . 1 . . . . . . . . 5341 1 122 . 1 1 40 40 THR H H 1 8.09 0.04 . 1 . . . . . . . . 5341 1 123 . 1 1 40 40 THR CA C 13 61.81 0.1 . 1 . . . . . . . . 5341 1 124 . 1 1 40 40 THR C C 13 172.56 0.1 . 1 . . . . . . . . 5341 1 125 . 1 1 41 41 TYR N N 15 126.86 0.05 . 1 . . . . . . . . 5341 1 126 . 1 1 41 41 TYR H H 1 9.70 0.04 . 1 . . . . . . . . 5341 1 127 . 1 1 41 41 TYR CA C 13 54.79 0.1 . 1 . . . . . . . . 5341 1 128 . 1 1 42 42 PRO CA C 13 61.85 0.1 . 1 . . . . . . . . 5341 1 129 . 1 1 42 42 PRO C C 13 176.95 0.1 . 1 . . . . . . . . 5341 1 130 . 1 1 43 43 LYS N N 15 119.26 0.05 . 1 . . . . . . . . 5341 1 131 . 1 1 43 43 LYS H H 1 7.43 0.04 . 1 . . . . . . . . 5341 1 132 . 1 1 43 43 LYS CA C 13 57.53 0.1 . 1 . . . . . . . . 5341 1 133 . 1 1 43 43 LYS C C 13 174.77 0.1 . 1 . . . . . . . . 5341 1 134 . 1 1 44 44 CYS N N 15 118.89 0.05 . 1 . . . . . . . . 5341 1 135 . 1 1 44 44 CYS H H 1 7.57 0.04 . 1 . . . . . . . . 5341 1 136 . 1 1 44 44 CYS CA C 13 58.01 0.1 . 1 . . . . . . . . 5341 1 137 . 1 1 44 44 CYS C C 13 172.69 0.1 . 1 . . . . . . . . 5341 1 138 . 1 1 45 45 ASP N N 15 126.41 0.05 . 1 . . . . . . . . 5341 1 139 . 1 1 45 45 ASP H H 1 7.74 0.04 . 1 . . . . . . . . 5341 1 140 . 1 1 45 45 ASP CA C 13 53.05 0.1 . 1 . . . . . . . . 5341 1 141 . 1 1 45 45 ASP C C 13 175.86 0.1 . 1 . . . . . . . . 5341 1 142 . 1 1 46 46 LEU N N 15 119.28 0.05 . 1 . . . . . . . . 5341 1 143 . 1 1 46 46 LEU H H 1 6.65 0.04 . 1 . . . . . . . . 5341 1 144 . 1 1 46 46 LEU CA C 13 55.02 0.1 . 1 . . . . . . . . 5341 1 145 . 1 1 46 46 LEU C C 13 177.38 0.1 . 1 . . . . . . . . 5341 1 146 . 1 1 47 47 THR N N 15 110.71 0.05 . 1 . . . . . . . . 5341 1 147 . 1 1 47 47 THR H H 1 8.37 0.04 . 1 . . . . . . . . 5341 1 148 . 1 1 47 47 THR CA C 13 60.99 0.1 . 1 . . . . . . . . 5341 1 149 . 1 1 47 47 THR C C 13 175.62 0.1 . 1 . . . . . . . . 5341 1 150 . 1 1 48 48 LYS N N 15 119.73 0.05 . 1 . . . . . . . . 5341 1 151 . 1 1 48 48 LYS H H 1 8.85 0.04 . 1 . . . . . . . . 5341 1 152 . 1 1 48 48 LYS CA C 13 60.15 0.1 . 1 . . . . . . . . 5341 1 153 . 1 1 48 48 LYS C C 13 177.90 0.1 . 1 . . . . . . . . 5341 1 154 . 1 1 49 49 GLU N N 15 116.56 0.05 . 1 . . . . . . . . 5341 1 155 . 1 1 49 49 GLU H H 1 9.25 0.04 . 1 . . . . . . . . 5341 1 156 . 1 1 49 49 GLU CA C 13 60.58 0.1 . 1 . . . . . . . . 5341 1 157 . 1 1 49 49 GLU C C 13 179.02 0.1 . 1 . . . . . . . . 5341 1 158 . 1 1 50 50 ASN N N 15 120.80 0.05 . 1 . . . . . . . . 5341 1 159 . 1 1 50 50 ASN H H 1 7.96 0.04 . 1 . . . . . . . . 5341 1 160 . 1 1 50 50 ASN CA C 13 56.46 0.1 . 1 . . . . . . . . 5341 1 161 . 1 1 50 50 ASN ND2 N 15 110.69 0.05 . 1 . . . . . . . . 5341 1 162 . 1 1 50 50 ASN HD21 H 1 7.66 0.04 . 1 . . . . . . . . 5341 1 163 . 1 1 50 50 ASN HD22 H 1 7.11 0.04 . 1 . . . . . . . . 5341 1 164 . 1 1 50 50 ASN C C 13 177.94 0.1 . 1 . . . . . . . . 5341 1 165 . 1 1 51 51 ALA N N 15 120.99 0.05 . 1 . . . . . . . . 5341 1 166 . 1 1 51 51 ALA H H 1 8.02 0.04 . 1 . . . . . . . . 5341 1 167 . 1 1 51 51 ALA CA C 13 55.66 0.1 . 1 . . . . . . . . 5341 1 168 . 1 1 51 51 ALA C C 13 178.44 0.1 . 1 . . . . . . . . 5341 1 169 . 1 1 52 52 LEU N N 15 116.53 0.05 . 1 . . . . . . . . 5341 1 170 . 1 1 52 52 LEU H H 1 8.29 0.04 . 1 . . . . . . . . 5341 1 171 . 1 1 52 52 LEU CA C 13 58.50 0.1 . 1 . . . . . . . . 5341 1 172 . 1 1 52 52 LEU C C 13 178.75 0.1 . 1 . . . . . . . . 5341 1 173 . 1 1 53 53 SER N N 15 114.64 0.05 . 1 . . . . . . . . 5341 1 174 . 1 1 53 53 SER H H 1 7.80 0.04 . 1 . . . . . . . . 5341 1 175 . 1 1 53 53 SER CA C 13 61.34 0.1 . 1 . . . . . . . . 5341 1 176 . 1 1 53 53 SER C C 13 176.36 0.1 . 1 . . . . . . . . 5341 1 177 . 1 1 54 54 GLN N N 15 118.44 0.05 . 1 . . . . . . . . 5341 1 178 . 1 1 54 54 GLN H H 1 7.82 0.04 . 1 . . . . . . . . 5341 1 179 . 1 1 54 54 GLN CA C 13 60.18 0.1 . 1 . . . . . . . . 5341 1 180 . 1 1 54 54 GLN NE2 N 15 114.52 0.05 . 1 . . . . . . . . 5341 1 181 . 1 1 54 54 GLN HE21 H 1 7.74 0.04 . 1 . . . . . . . . 5341 1 182 . 1 1 54 54 GLN HE22 H 1 7.68 0.04 . 1 . . . . . . . . 5341 1 183 . 1 1 54 54 GLN C C 13 179.23 0.1 . 1 . . . . . . . . 5341 1 184 . 1 1 55 55 ILE N N 15 118.70 0.05 . 1 . . . . . . . . 5341 1 185 . 1 1 55 55 ILE H H 1 8.21 0.04 . 1 . . . . . . . . 5341 1 186 . 1 1 55 55 ILE CA C 13 61.80 0.1 . 1 . . . . . . . . 5341 1 187 . 1 1 55 55 ILE C C 13 178.86 0.1 . 1 . . . . . . . . 5341 1 188 . 1 1 56 56 THR N N 15 111.09 0.05 . 1 . . . . . . . . 5341 1 189 . 1 1 56 56 THR H H 1 8.50 0.04 . 1 . . . . . . . . 5341 1 190 . 1 1 56 56 THR CA C 13 65.56 0.1 . 1 . . . . . . . . 5341 1 191 . 1 1 56 56 THR C C 13 176.00 0.1 . 1 . . . . . . . . 5341 1 192 . 1 1 57 57 ASN N N 15 117.12 0.05 . 1 . . . . . . . . 5341 1 193 . 1 1 57 57 ASN H H 1 7.12 0.04 . 1 . . . . . . . . 5341 1 194 . 1 1 57 57 ASN CA C 13 53.87 0.1 . 1 . . . . . . . . 5341 1 195 . 1 1 57 57 ASN ND2 N 15 113.35 0.05 . 1 . . . . . . . . 5341 1 196 . 1 1 57 57 ASN HD21 H 1 7.63 0.04 . 1 . . . . . . . . 5341 1 197 . 1 1 57 57 ASN HD22 H 1 6.82 0.04 . 1 . . . . . . . . 5341 1 198 . 1 1 57 57 ASN C C 13 175.16 0.1 . 1 . . . . . . . . 5341 1 199 . 1 1 58 58 LEU N N 15 121.64 0.05 . 1 . . . . . . . . 5341 1 200 . 1 1 58 58 LEU H H 1 7.26 0.04 . 1 . . . . . . . . 5341 1 201 . 1 1 58 58 LEU CA C 13 55.12 0.1 . 1 . . . . . . . . 5341 1 202 . 1 1 58 58 LEU C C 13 176.97 0.1 . 1 . . . . . . . . 5341 1 203 . 1 1 59 59 GLN N N 15 126.82 0.05 . 1 . . . . . . . . 5341 1 204 . 1 1 59 59 GLN H H 1 8.97 0.04 . 1 . . . . . . . . 5341 1 205 . 1 1 59 59 GLN CA C 13 55.99 0.1 . 1 . . . . . . . . 5341 1 206 . 1 1 59 59 GLN NE2 N 15 112.98 0.05 . 1 . . . . . . . . 5341 1 207 . 1 1 59 59 GLN HE21 H 1 7.50 0.04 . 1 . . . . . . . . 5341 1 208 . 1 1 59 59 GLN HE22 H 1 6.89 0.04 . 1 . . . . . . . . 5341 1 209 . 1 1 59 59 GLN C C 13 175.58 0.1 . 1 . . . . . . . . 5341 1 210 . 1 1 60 60 THR N N 15 114.78 0.05 . 1 . . . . . . . . 5341 1 211 . 1 1 60 60 THR H H 1 8.39 0.04 . 1 . . . . . . . . 5341 1 212 . 1 1 60 60 THR CA C 13 57.66 0.1 . 1 . . . . . . . . 5341 1 213 . 1 1 61 61 PRO CA C 13 64.07 0.1 . 1 . . . . . . . . 5341 1 214 . 1 1 61 61 PRO C C 13 175.54 0.1 . 1 . . . . . . . . 5341 1 215 . 1 1 62 62 THR N N 15 111.14 0.05 . 1 . . . . . . . . 5341 1 216 . 1 1 62 62 THR H H 1 6.75 0.04 . 1 . . . . . . . . 5341 1 217 . 1 1 62 62 THR CA C 13 58.81 0.1 . 1 . . . . . . . . 5341 1 218 . 1 1 62 62 THR C C 13 173.29 0.1 . 1 . . . . . . . . 5341 1 219 . 1 1 63 63 ASN N N 15 125.56 0.05 . 1 . . . . . . . . 5341 1 220 . 1 1 63 63 ASN H H 1 8.95 0.04 . 1 . . . . . . . . 5341 1 221 . 1 1 63 63 ASN CA C 13 54.07 0.1 . 1 . . . . . . . . 5341 1 222 . 1 1 63 63 ASN ND2 N 15 114.28 0.05 . 1 . . . . . . . . 5341 1 223 . 1 1 63 63 ASN HD21 H 1 7.93 0.04 . 1 . . . . . . . . 5341 1 224 . 1 1 63 63 ASN HD22 H 1 7.10 0.04 . 1 . . . . . . . . 5341 1 225 . 1 1 63 63 ASN C C 13 175.14 0.1 . 1 . . . . . . . . 5341 1 226 . 1 1 64 64 LYS N N 15 121.11 0.05 . 1 . . . . . . . . 5341 1 227 . 1 1 64 64 LYS H H 1 8.82 0.04 . 1 . . . . . . . . 5341 1 228 . 1 1 64 64 LYS CA C 13 56.51 0.1 . 1 . . . . . . . . 5341 1 229 . 1 1 64 64 LYS C C 13 175.27 0.1 . 1 . . . . . . . . 5341 1 230 . 1 1 65 65 LEU N N 15 121.66 0.05 . 1 . . . . . . . . 5341 1 231 . 1 1 65 65 LEU H H 1 9.31 0.04 . 1 . . . . . . . . 5341 1 232 . 1 1 65 65 LEU CA C 13 55.64 0.1 . 1 . . . . . . . . 5341 1 233 . 1 1 65 65 LEU C C 13 177.10 0.1 . 1 . . . . . . . . 5341 1 234 . 1 1 66 66 PHE N N 15 117.88 0.05 . 1 . . . . . . . . 5341 1 235 . 1 1 66 66 PHE H H 1 7.74 0.04 . 1 . . . . . . . . 5341 1 236 . 1 1 66 66 PHE CA C 13 56.74 0.1 . 1 . . . . . . . . 5341 1 237 . 1 1 66 66 PHE C C 13 173.38 0.1 . 1 . . . . . . . . 5341 1 238 . 1 1 67 67 ILE N N 15 126.71 0.05 . 1 . . . . . . . . 5341 1 239 . 1 1 67 67 ILE H H 1 8.80 0.04 . 1 . . . . . . . . 5341 1 240 . 1 1 67 67 ILE CA C 13 59.32 0.1 . 1 . . . . . . . . 5341 1 241 . 1 1 67 67 ILE C C 13 173.55 0.1 . 1 . . . . . . . . 5341 1 242 . 1 1 68 68 LYS N N 15 123.18 0.05 . 1 . . . . . . . . 5341 1 243 . 1 1 68 68 LYS H H 1 8.68 0.04 . 1 . . . . . . . . 5341 1 244 . 1 1 68 68 LYS CA C 13 55.01 0.1 . 1 . . . . . . . . 5341 1 245 . 1 1 68 68 LYS C C 13 175.08 0.1 . 1 . . . . . . . . 5341 1 246 . 1 1 69 69 ILE N N 15 131.17 0.05 . 1 . . . . . . . . 5341 1 247 . 1 1 69 69 ILE H H 1 9.57 0.04 . 1 . . . . . . . . 5341 1 248 . 1 1 69 69 ILE CA C 13 59.99 0.1 . 1 . . . . . . . . 5341 1 249 . 1 1 69 69 ILE C C 13 174.26 0.1 . 1 . . . . . . . . 5341 1 250 . 1 1 70 70 CYS N N 15 125.76 0.05 . 1 . . . . . . . . 5341 1 251 . 1 1 70 70 CYS H H 1 9.50 0.04 . 1 . . . . . . . . 5341 1 252 . 1 1 70 70 CYS CA C 13 56.83 0.1 . 1 . . . . . . . . 5341 1 253 . 1 1 70 70 CYS C C 13 173.18 0.1 . 1 . . . . . . . . 5341 1 254 . 1 1 71 71 ARG N N 15 105.38 0.05 . 1 . . . . . . . . 5341 1 255 . 1 1 71 71 ARG H H 1 8.85 0.04 . 1 . . . . . . . . 5341 1 256 . 1 1 71 71 ARG CA C 13 55.16 0.1 . 1 . . . . . . . . 5341 1 257 . 1 1 71 71 ARG C C 13 174.80 0.1 . 1 . . . . . . . . 5341 1 258 . 1 1 72 72 GLU N N 15 126.94 0.05 . 1 . . . . . . . . 5341 1 259 . 1 1 72 72 GLU H H 1 8.94 0.04 . 1 . . . . . . . . 5341 1 260 . 1 1 72 72 GLU CA C 13 54.60 0.1 . 1 . . . . . . . . 5341 1 261 . 1 1 72 72 GLU C C 13 174.13 0.1 . 1 . . . . . . . . 5341 1 262 . 1 1 73 73 LEU N N 15 123.57 0.05 . 1 . . . . . . . . 5341 1 263 . 1 1 73 73 LEU H H 1 8.71 0.04 . 1 . . . . . . . . 5341 1 264 . 1 1 73 73 LEU CA C 13 54.09 0.1 . 1 . . . . . . . . 5341 1 265 . 1 1 73 73 LEU C C 13 177.48 0.1 . 1 . . . . . . . . 5341 1 266 . 1 1 74 74 HIS N N 15 123.57 0.05 . 1 . . . . . . . . 5341 1 267 . 1 1 74 74 HIS H H 1 8.70 0.04 . 1 . . . . . . . . 5341 1 268 . 1 1 74 74 HIS CA C 13 55.42 0.1 . 1 . . . . . . . . 5341 1 269 . 1 1 75 75 GLU CA C 13 59.22 0.1 . 1 . . . . . . . . 5341 1 270 . 1 1 75 75 GLU C C 13 176.99 0.1 . 1 . . . . . . . . 5341 1 271 . 1 1 76 76 ASN N N 15 117.01 0.05 . 1 . . . . . . . . 5341 1 272 . 1 1 76 76 ASN H H 1 9.00 0.04 . 1 . . . . . . . . 5341 1 273 . 1 1 76 76 ASN CA C 13 53.29 0.1 . 1 . . . . . . . . 5341 1 274 . 1 1 76 76 ASN ND2 N 15 110.84 0.05 . 1 . . . . . . . . 5341 1 275 . 1 1 76 76 ASN HD21 H 1 7.53 0.04 . 1 . . . . . . . . 5341 1 276 . 1 1 76 76 ASN HD22 H 1 6.80 0.04 . 1 . . . . . . . . 5341 1 277 . 1 1 76 76 ASN C C 13 176.11 0.1 . 1 . . . . . . . . 5341 1 278 . 1 1 77 77 GLY N N 15 107.56 0.05 . 1 . . . . . . . . 5341 1 279 . 1 1 77 77 GLY H H 1 8.35 0.04 . 1 . . . . . . . . 5341 1 280 . 1 1 77 77 GLY CA C 13 45.43 0.1 . 1 . . . . . . . . 5341 1 281 . 1 1 77 77 GLY C C 13 173.79 0.1 . 1 . . . . . . . . 5341 1 282 . 1 1 78 78 GLU N N 15 120.69 0.05 . 1 . . . . . . . . 5341 1 283 . 1 1 78 78 GLU H H 1 7.83 0.04 . 1 . . . . . . . . 5341 1 284 . 1 1 78 78 GLU CA C 13 54.08 0.1 . 1 . . . . . . . . 5341 1 285 . 1 1 79 79 PRO CA C 13 62.48 0.1 . 1 . . . . . . . . 5341 1 286 . 1 1 79 79 PRO C C 13 176.28 0.1 . 1 . . . . . . . . 5341 1 287 . 1 1 80 80 HIS N N 15 119.78 0.05 . 1 . . . . . . . . 5341 1 288 . 1 1 80 80 HIS H H 1 9.07 0.04 . 1 . . . . . . . . 5341 1 289 . 1 1 80 80 HIS CA C 13 55.18 0.1 . 1 . . . . . . . . 5341 1 290 . 1 1 80 80 HIS C C 13 173.85 0.1 . 1 . . . . . . . . 5341 1 291 . 1 1 81 81 LEU N N 15 120.75 0.05 . 1 . . . . . . . . 5341 1 292 . 1 1 81 81 LEU H H 1 8.07 0.04 . 1 . . . . . . . . 5341 1 293 . 1 1 81 81 LEU CA C 13 53.44 0.1 . 1 . . . . . . . . 5341 1 294 . 1 1 81 81 LEU C C 13 174.98 0.1 . 1 . . . . . . . . 5341 1 295 . 1 1 82 82 HIS N N 15 124.68 0.05 . 1 . . . . . . . . 5341 1 296 . 1 1 82 82 HIS H H 1 9.28 0.04 . 1 . . . . . . . . 5341 1 297 . 1 1 82 82 HIS CA C 13 54.48 0.1 . 1 . . . . . . . . 5341 1 298 . 1 1 82 82 HIS C C 13 175.01 0.1 . 1 . . . . . . . . 5341 1 299 . 1 1 83 83 ILE N N 15 121.53 0.05 . 1 . . . . . . . . 5341 1 300 . 1 1 83 83 ILE H H 1 9.60 0.04 . 1 . . . . . . . . 5341 1 301 . 1 1 83 83 ILE CA C 13 61.33 0.1 . 1 . . . . . . . . 5341 1 302 . 1 1 83 83 ILE C C 13 173.96 0.1 . 1 . . . . . . . . 5341 1 303 . 1 1 84 84 LEU N N 15 128.47 0.05 . 1 . . . . . . . . 5341 1 304 . 1 1 84 84 LEU H H 1 8.67 0.04 . 1 . . . . . . . . 5341 1 305 . 1 1 84 84 LEU CA C 13 53.01 0.1 . 1 . . . . . . . . 5341 1 306 . 1 1 84 84 LEU C C 13 175.48 0.1 . 1 . . . . . . . . 5341 1 307 . 1 1 85 85 ILE N N 15 123.87 0.05 . 1 . . . . . . . . 5341 1 308 . 1 1 85 85 ILE H H 1 9.08 0.04 . 1 . . . . . . . . 5341 1 309 . 1 1 85 85 ILE CA C 13 60.35 0.1 . 1 . . . . . . . . 5341 1 310 . 1 1 85 85 ILE C C 13 174.63 0.1 . 1 . . . . . . . . 5341 1 311 . 1 1 86 86 GLN N N 15 124.50 0.05 . 1 . . . . . . . . 5341 1 312 . 1 1 86 86 GLN H H 1 9.25 0.04 . 1 . . . . . . . . 5341 1 313 . 1 1 86 86 GLN CA C 13 54.98 0.1 . 1 . . . . . . . . 5341 1 314 . 1 1 86 86 GLN NE2 N 15 109.77 0.05 . 1 . . . . . . . . 5341 1 315 . 1 1 86 86 GLN HE21 H 1 7.12 0.04 . 1 . . . . . . . . 5341 1 316 . 1 1 86 86 GLN HE22 H 1 6.44 0.04 . 1 . . . . . . . . 5341 1 317 . 1 1 86 86 GLN C C 13 175.58 0.1 . 1 . . . . . . . . 5341 1 318 . 1 1 87 87 PHE N N 15 125.48 0.05 . 1 . . . . . . . . 5341 1 319 . 1 1 87 87 PHE H H 1 9.50 0.04 . 1 . . . . . . . . 5341 1 320 . 1 1 87 87 PHE CA C 13 58.11 0.1 . 1 . . . . . . . . 5341 1 321 . 1 1 87 87 PHE C C 13 175.34 0.1 . 1 . . . . . . . . 5341 1 322 . 1 1 88 88 GLU N N 15 120.04 0.05 . 1 . . . . . . . . 5341 1 323 . 1 1 88 88 GLU H H 1 8.94 0.04 . 1 . . . . . . . . 5341 1 324 . 1 1 88 88 GLU CA C 13 58.20 0.1 . 1 . . . . . . . . 5341 1 325 . 1 1 88 88 GLU C C 13 176.02 0.1 . 1 . . . . . . . . 5341 1 326 . 1 1 89 89 GLY N N 15 108.11 0.05 . 1 . . . . . . . . 5341 1 327 . 1 1 89 89 GLY H H 1 7.68 0.04 . 1 . . . . . . . . 5341 1 328 . 1 1 89 89 GLY CA C 13 43.31 0.1 . 1 . . . . . . . . 5341 1 329 . 1 1 89 89 GLY C C 13 171.57 0.1 . 1 . . . . . . . . 5341 1 330 . 1 1 90 90 LYS N N 15 115.35 0.05 . 1 . . . . . . . . 5341 1 331 . 1 1 90 90 LYS H H 1 8.23 0.04 . 1 . . . . . . . . 5341 1 332 . 1 1 90 90 LYS CA C 13 57.45 0.1 . 1 . . . . . . . . 5341 1 333 . 1 1 90 90 LYS C C 13 176.19 0.1 . 1 . . . . . . . . 5341 1 334 . 1 1 91 91 TYR N N 15 124.55 0.05 . 1 . . . . . . . . 5341 1 335 . 1 1 91 91 TYR H H 1 8.30 0.04 . 1 . . . . . . . . 5341 1 336 . 1 1 91 91 TYR CA C 13 55.84 0.1 . 1 . . . . . . . . 5341 1 337 . 1 1 91 91 TYR C C 13 175.26 0.1 . 1 . . . . . . . . 5341 1 338 . 1 1 92 92 ASN N N 15 132.64 0.05 . 1 . . . . . . . . 5341 1 339 . 1 1 92 92 ASN H H 1 8.68 0.04 . 1 . . . . . . . . 5341 1 340 . 1 1 92 92 ASN CA C 13 50.14 0.1 . 1 . . . . . . . . 5341 1 341 . 1 1 92 92 ASN ND2 N 15 110.27 0.05 . 1 . . . . . . . . 5341 1 342 . 1 1 92 92 ASN HD21 H 1 6.94 0.04 . 1 . . . . . . . . 5341 1 343 . 1 1 92 92 ASN HD22 H 1 6.68 0.04 . 1 . . . . . . . . 5341 1 344 . 1 1 92 92 ASN C C 13 171.00 0.1 . 1 . . . . . . . . 5341 1 345 . 1 1 93 93 CYS N N 15 126.47 0.05 . 1 . . . . . . . . 5341 1 346 . 1 1 93 93 CYS H H 1 8.44 0.04 . 1 . . . . . . . . 5341 1 347 . 1 1 93 93 CYS CA C 13 58.81 0.1 . 1 . . . . . . . . 5341 1 348 . 1 1 93 93 CYS C C 13 174.37 0.1 . 1 . . . . . . . . 5341 1 349 . 1 1 94 94 THR N N 15 117.02 0.05 . 1 . . . . . . . . 5341 1 350 . 1 1 94 94 THR H H 1 8.43 0.04 . 1 . . . . . . . . 5341 1 351 . 1 1 94 94 THR CA C 13 60.87 0.1 . 1 . . . . . . . . 5341 1 352 . 1 1 94 94 THR C C 13 173.76 0.1 . 1 . . . . . . . . 5341 1 353 . 1 1 95 95 ASN N N 15 120.97 0.05 . 1 . . . . . . . . 5341 1 354 . 1 1 95 95 ASN H H 1 7.77 0.04 . 1 . . . . . . . . 5341 1 355 . 1 1 95 95 ASN CA C 13 51.74 0.1 . 1 . . . . . . . . 5341 1 356 . 1 1 95 95 ASN ND2 N 15 111.59 0.05 . 1 . . . . . . . . 5341 1 357 . 1 1 95 95 ASN HD21 H 1 7.86 0.04 . 1 . . . . . . . . 5341 1 358 . 1 1 95 95 ASN HD22 H 1 7.18 0.04 . 1 . . . . . . . . 5341 1 359 . 1 1 95 95 ASN C C 13 175.36 0.1 . 1 . . . . . . . . 5341 1 360 . 1 1 96 96 GLN N N 15 124.53 0.05 . 1 . . . . . . . . 5341 1 361 . 1 1 96 96 GLN H H 1 9.18 0.04 . 1 . . . . . . . . 5341 1 362 . 1 1 96 96 GLN CA C 13 58.16 0.1 . 1 . . . . . . . . 5341 1 363 . 1 1 96 96 GLN NE2 N 15 111.90 0.05 . 1 . . . . . . . . 5341 1 364 . 1 1 96 96 GLN HE21 H 1 7.29 0.04 . 1 . . . . . . . . 5341 1 365 . 1 1 96 96 GLN HE22 H 1 6.91 0.04 . 1 . . . . . . . . 5341 1 366 . 1 1 96 96 GLN C C 13 176.57 0.1 . 1 . . . . . . . . 5341 1 367 . 1 1 97 97 ARG N N 15 116.79 0.05 . 1 . . . . . . . . 5341 1 368 . 1 1 97 97 ARG H H 1 8.22 0.04 . 1 . . . . . . . . 5341 1 369 . 1 1 97 97 ARG CA C 13 55.94 0.1 . 1 . . . . . . . . 5341 1 370 . 1 1 97 97 ARG C C 13 178.19 0.1 . 1 . . . . . . . . 5341 1 371 . 1 1 98 98 PHE N N 15 121.78 0.05 . 1 . . . . . . . . 5341 1 372 . 1 1 98 98 PHE H H 1 7.90 0.04 . 1 . . . . . . . . 5341 1 373 . 1 1 98 98 PHE CA C 13 62.52 0.1 . 1 . . . . . . . . 5341 1 374 . 1 1 98 98 PHE C C 13 175.15 0.1 . 1 . . . . . . . . 5341 1 375 . 1 1 99 99 PHE N N 15 110.25 0.05 . 1 . . . . . . . . 5341 1 376 . 1 1 99 99 PHE H H 1 8.36 0.04 . 1 . . . . . . . . 5341 1 377 . 1 1 99 99 PHE CA C 13 56.60 0.1 . 1 . . . . . . . . 5341 1 378 . 1 1 99 99 PHE C C 13 174.81 0.1 . 1 . . . . . . . . 5341 1 379 . 1 1 100 100 ASP N N 15 122.67 0.05 . 1 . . . . . . . . 5341 1 380 . 1 1 100 100 ASP H H 1 7.58 0.04 . 1 . . . . . . . . 5341 1 381 . 1 1 100 100 ASP CA C 13 56.17 0.1 . 1 . . . . . . . . 5341 1 382 . 1 1 100 100 ASP C C 13 176.30 0.1 . 1 . . . . . . . . 5341 1 383 . 1 1 101 101 LEU N N 15 121.75 0.05 . 1 . . . . . . . . 5341 1 384 . 1 1 101 101 LEU H H 1 8.70 0.04 . 1 . . . . . . . . 5341 1 385 . 1 1 101 101 LEU CA C 13 53.05 0.1 . 1 . . . . . . . . 5341 1 386 . 1 1 101 101 LEU C C 13 176.59 0.1 . 1 . . . . . . . . 5341 1 387 . 1 1 102 102 VAL N N 15 118.36 0.05 . 1 . . . . . . . . 5341 1 388 . 1 1 102 102 VAL H H 1 9.17 0.04 . 1 . . . . . . . . 5341 1 389 . 1 1 102 102 VAL CA C 13 60.48 0.1 . 1 . . . . . . . . 5341 1 390 . 1 1 102 102 VAL C C 13 176.22 0.1 . 1 . . . . . . . . 5341 1 391 . 1 1 103 103 SER N N 15 118.46 0.05 . 1 . . . . . . . . 5341 1 392 . 1 1 103 103 SER H H 1 8.38 0.04 . 1 . . . . . . . . 5341 1 393 . 1 1 103 103 SER CA C 13 55.51 0.1 . 1 . . . . . . . . 5341 1 394 . 1 1 104 104 PRO CA C 13 64.33 0.1 . 1 . . . . . . . . 5341 1 395 . 1 1 104 104 PRO C C 13 177.79 0.1 . 1 . . . . . . . . 5341 1 396 . 1 1 105 105 THR N N 15 107.18 0.05 . 1 . . . . . . . . 5341 1 397 . 1 1 105 105 THR H H 1 7.83 0.04 . 1 . . . . . . . . 5341 1 398 . 1 1 105 105 THR CA C 13 61.69 0.1 . 1 . . . . . . . . 5341 1 399 . 1 1 105 105 THR C C 13 174.34 0.1 . 1 . . . . . . . . 5341 1 400 . 1 1 106 106 ARG N N 15 119.06 0.05 . 1 . . . . . . . . 5341 1 401 . 1 1 106 106 ARG H H 1 7.91 0.04 . 1 . . . . . . . . 5341 1 402 . 1 1 106 106 ARG CA C 13 55.57 0.1 . 1 . . . . . . . . 5341 1 403 . 1 1 107 107 SER CA C 13 58.46 0.1 . 1 . . . . . . . . 5341 1 404 . 1 1 107 107 SER C C 13 173.75 0.1 . 1 . . . . . . . . 5341 1 405 . 1 1 108 108 ALA N N 15 124.49 0.05 . 1 . . . . . . . . 5341 1 406 . 1 1 108 108 ALA H H 1 7.54 0.04 . 1 . . . . . . . . 5341 1 407 . 1 1 108 108 ALA CA C 13 51.72 0.1 . 1 . . . . . . . . 5341 1 408 . 1 1 108 108 ALA C C 13 175.56 0.1 . 1 . . . . . . . . 5341 1 409 . 1 1 109 109 HIS N N 15 118.59 0.05 . 1 . . . . . . . . 5341 1 410 . 1 1 109 109 HIS H H 1 8.26 0.04 . 1 . . . . . . . . 5341 1 411 . 1 1 109 109 HIS CA C 13 54.45 0.1 . 1 . . . . . . . . 5341 1 412 . 1 1 109 109 HIS C C 13 174.19 0.1 . 1 . . . . . . . . 5341 1 413 . 1 1 110 110 PHE N N 15 120.47 0.05 . 1 . . . . . . . . 5341 1 414 . 1 1 110 110 PHE H H 1 9.39 0.04 . 1 . . . . . . . . 5341 1 415 . 1 1 110 110 PHE CA C 13 57.18 0.1 . 1 . . . . . . . . 5341 1 416 . 1 1 110 110 PHE C C 13 174.19 0.1 . 1 . . . . . . . . 5341 1 417 . 1 1 111 111 HIS N N 15 125.54 0.05 . 1 . . . . . . . . 5341 1 418 . 1 1 111 111 HIS H H 1 9.14 0.04 . 1 . . . . . . . . 5341 1 419 . 1 1 111 111 HIS CA C 13 51.26 0.1 . 1 . . . . . . . . 5341 1 420 . 1 1 112 112 PRO CA C 13 61.69 0.1 . 1 . . . . . . . . 5341 1 421 . 1 1 112 112 PRO C C 13 176.62 0.1 . 1 . . . . . . . . 5341 1 422 . 1 1 113 113 ASN N N 15 114.89 0.05 . 1 . . . . . . . . 5341 1 423 . 1 1 113 113 ASN H H 1 8.47 0.04 . 1 . . . . . . . . 5341 1 424 . 1 1 113 113 ASN CA C 13 53.46 0.1 . 1 . . . . . . . . 5341 1 425 . 1 1 113 113 ASN ND2 N 15 112.78 0.05 . 1 . . . . . . . . 5341 1 426 . 1 1 113 113 ASN HD21 H 1 7.64 0.04 . 1 . . . . . . . . 5341 1 427 . 1 1 113 113 ASN HD22 H 1 7.03 0.04 . 1 . . . . . . . . 5341 1 428 . 1 1 113 113 ASN C C 13 174.98 0.1 . 1 . . . . . . . . 5341 1 429 . 1 1 114 114 ILE N N 15 126.33 0.05 . 1 . . . . . . . . 5341 1 430 . 1 1 114 114 ILE H H 1 8.54 0.04 . 1 . . . . . . . . 5341 1 431 . 1 1 114 114 ILE CA C 13 61.63 0.1 . 1 . . . . . . . . 5341 1 432 . 1 1 114 114 ILE C C 13 174.80 0.1 . 1 . . . . . . . . 5341 1 433 . 1 1 115 115 GLN N N 15 124.72 0.05 . 1 . . . . . . . . 5341 1 434 . 1 1 115 115 GLN H H 1 8.79 0.04 . 1 . . . . . . . . 5341 1 435 . 1 1 115 115 GLN CA C 13 54.62 0.1 . 1 . . . . . . . . 5341 1 436 . 1 1 115 115 GLN NE2 N 15 112.17 0.05 . 1 . . . . . . . . 5341 1 437 . 1 1 115 115 GLN HE21 H 1 7.65 0.04 . 1 . . . . . . . . 5341 1 438 . 1 1 115 115 GLN HE22 H 1 6.90 0.04 . 1 . . . . . . . . 5341 1 439 . 1 1 115 115 GLN C C 13 174.98 0.1 . 1 . . . . . . . . 5341 1 440 . 1 1 116 116 GLY N N 15 110.96 0.05 . 1 . . . . . . . . 5341 1 441 . 1 1 116 116 GLY H H 1 8.86 0.04 . 1 . . . . . . . . 5341 1 442 . 1 1 116 116 GLY CA C 13 44.16 0.1 . 1 . . . . . . . . 5341 1 443 . 1 1 116 116 GLY C C 13 173.62 0.1 . 1 . . . . . . . . 5341 1 444 . 1 1 117 117 ALA N N 15 125.98 0.05 . 1 . . . . . . . . 5341 1 445 . 1 1 117 117 ALA H H 1 8.29 0.04 . 1 . . . . . . . . 5341 1 446 . 1 1 117 117 ALA CA C 13 52.11 0.1 . 1 . . . . . . . . 5341 1 447 . 1 1 117 117 ALA C C 13 178.08 0.1 . 1 . . . . . . . . 5341 1 448 . 1 1 118 118 LYS N N 15 122.86 0.05 . 1 . . . . . . . . 5341 1 449 . 1 1 118 118 LYS H H 1 9.06 0.04 . 1 . . . . . . . . 5341 1 450 . 1 1 118 118 LYS CA C 13 57.43 0.1 . 1 . . . . . . . . 5341 1 451 . 1 1 118 118 LYS C C 13 176.79 0.1 . 1 . . . . . . . . 5341 1 452 . 1 1 119 119 SER N N 15 113.03 0.05 . 1 . . . . . . . . 5341 1 453 . 1 1 119 119 SER H H 1 8.09 0.04 . 1 . . . . . . . . 5341 1 454 . 1 1 119 119 SER CA C 13 57.00 0.1 . 1 . . . . . . . . 5341 1 455 . 1 1 121 121 SER CA C 13 61.32 0.1 . 1 . . . . . . . . 5341 1 456 . 1 1 121 121 SER C C 13 176.59 0.1 . 1 . . . . . . . . 5341 1 457 . 1 1 122 122 ASP N N 15 122.23 0.05 . 1 . . . . . . . . 5341 1 458 . 1 1 122 122 ASP H H 1 7.83 0.04 . 1 . . . . . . . . 5341 1 459 . 1 1 122 122 ASP CA C 13 57.03 0.1 . 1 . . . . . . . . 5341 1 460 . 1 1 122 122 ASP C C 13 178.59 0.1 . 1 . . . . . . . . 5341 1 461 . 1 1 123 123 VAL N N 15 117.93 0.05 . 1 . . . . . . . . 5341 1 462 . 1 1 123 123 VAL H H 1 7.57 0.04 . 1 . . . . . . . . 5341 1 463 . 1 1 123 123 VAL CA C 13 65.40 0.1 . 1 . . . . . . . . 5341 1 464 . 1 1 123 123 VAL C C 13 176.82 0.1 . 1 . . . . . . . . 5341 1 465 . 1 1 124 124 LYS N N 15 120.92 0.05 . 1 . . . . . . . . 5341 1 466 . 1 1 124 124 LYS H H 1 7.95 0.04 . 1 . . . . . . . . 5341 1 467 . 1 1 124 124 LYS CA C 13 59.45 0.1 . 1 . . . . . . . . 5341 1 468 . 1 1 124 124 LYS C C 13 177.70 0.1 . 1 . . . . . . . . 5341 1 469 . 1 1 125 125 SER N N 15 112.53 0.05 . 1 . . . . . . . . 5341 1 470 . 1 1 125 125 SER H H 1 8.18 0.04 . 1 . . . . . . . . 5341 1 471 . 1 1 125 125 SER CA C 13 61.41 0.1 . 1 . . . . . . . . 5341 1 472 . 1 1 125 125 SER C C 13 176.26 0.1 . 1 . . . . . . . . 5341 1 473 . 1 1 126 126 TYR N N 15 121.16 0.05 . 1 . . . . . . . . 5341 1 474 . 1 1 126 126 TYR H H 1 7.58 0.04 . 1 . . . . . . . . 5341 1 475 . 1 1 126 126 TYR CA C 13 61.08 0.1 . 1 . . . . . . . . 5341 1 476 . 1 1 126 126 TYR C C 13 178.53 0.1 . 1 . . . . . . . . 5341 1 477 . 1 1 127 127 ILE N N 15 121.11 0.05 . 1 . . . . . . . . 5341 1 478 . 1 1 127 127 ILE H H 1 8.27 0.04 . 1 . . . . . . . . 5341 1 479 . 1 1 127 127 ILE CA C 13 64.30 0.1 . 1 . . . . . . . . 5341 1 480 . 1 1 127 127 ILE C C 13 177.16 0.1 . 1 . . . . . . . . 5341 1 481 . 1 1 128 128 ASP N N 15 118.87 0.05 . 1 . . . . . . . . 5341 1 482 . 1 1 128 128 ASP H H 1 7.90 0.04 . 1 . . . . . . . . 5341 1 483 . 1 1 128 128 ASP CA C 13 55.35 0.1 . 1 . . . . . . . . 5341 1 484 . 1 1 128 128 ASP C C 13 176.65 0.1 . 1 . . . . . . . . 5341 1 485 . 1 1 129 129 LYS N N 15 120.78 0.05 . 1 . . . . . . . . 5341 1 486 . 1 1 129 129 LYS H H 1 7.09 0.04 . 1 . . . . . . . . 5341 1 487 . 1 1 129 129 LYS CA C 13 57.91 0.1 . 1 . . . . . . . . 5341 1 488 . 1 1 129 129 LYS C C 13 175.91 0.1 . 1 . . . . . . . . 5341 1 489 . 1 1 130 130 ASP N N 15 125.48 0.05 . 1 . . . . . . . . 5341 1 490 . 1 1 130 130 ASP H H 1 8.42 0.04 . 1 . . . . . . . . 5341 1 491 . 1 1 130 130 ASP CA C 13 52.60 0.1 . 1 . . . . . . . . 5341 1 492 . 1 1 130 130 ASP C C 13 175.12 0.1 . 1 . . . . . . . . 5341 1 493 . 1 1 131 131 GLY N N 15 107.21 0.05 . 1 . . . . . . . . 5341 1 494 . 1 1 131 131 GLY H H 1 8.22 0.04 . 1 . . . . . . . . 5341 1 495 . 1 1 131 131 GLY CA C 13 45.60 0.1 . 1 . . . . . . . . 5341 1 496 . 1 1 131 131 GLY C C 13 172.88 0.1 . 1 . . . . . . . . 5341 1 497 . 1 1 132 132 ASP N N 15 127.22 0.05 . 1 . . . . . . . . 5341 1 498 . 1 1 132 132 ASP H H 1 9.01 0.04 . 1 . . . . . . . . 5341 1 499 . 1 1 132 132 ASP CA C 13 53.43 0.1 . 1 . . . . . . . . 5341 1 500 . 1 1 132 132 ASP C C 13 174.92 0.1 . 1 . . . . . . . . 5341 1 501 . 1 1 133 133 VAL N N 15 115.64 0.05 . 1 . . . . . . . . 5341 1 502 . 1 1 133 133 VAL H H 1 7.76 0.04 . 1 . . . . . . . . 5341 1 503 . 1 1 133 133 VAL CA C 13 58.84 0.1 . 1 . . . . . . . . 5341 1 504 . 1 1 133 133 VAL C C 13 175.81 0.1 . 1 . . . . . . . . 5341 1 505 . 1 1 134 134 LEU N N 15 124.28 0.05 . 1 . . . . . . . . 5341 1 506 . 1 1 134 134 LEU H H 1 8.89 0.04 . 1 . . . . . . . . 5341 1 507 . 1 1 134 134 LEU CA C 13 55.15 0.1 . 1 . . . . . . . . 5341 1 508 . 1 1 134 134 LEU C C 13 173.96 0.1 . 1 . . . . . . . . 5341 1 509 . 1 1 135 135 GLU N N 15 125.14 0.05 . 1 . . . . . . . . 5341 1 510 . 1 1 135 135 GLU H H 1 8.87 0.04 . 1 . . . . . . . . 5341 1 511 . 1 1 135 135 GLU CA C 13 54.78 0.1 . 1 . . . . . . . . 5341 1 512 . 1 1 135 135 GLU C C 13 174.31 0.1 . 1 . . . . . . . . 5341 1 513 . 1 1 136 136 TRP N N 15 124.57 0.05 . 1 . . . . . . . . 5341 1 514 . 1 1 136 136 TRP H H 1 8.83 0.04 . 1 . . . . . . . . 5341 1 515 . 1 1 136 136 TRP CA C 13 57.51 0.1 . 1 . . . . . . . . 5341 1 516 . 1 1 136 136 TRP NE1 N 15 129.18 0.05 . 1 . . . . . . . . 5341 1 517 . 1 1 136 136 TRP HE1 H 1 10.17 0.04 . 1 . . . . . . . . 5341 1 518 . 1 1 136 136 TRP C C 13 174.64 0.1 . 1 . . . . . . . . 5341 1 519 . 1 1 137 137 GLY N N 15 113.61 0.05 . 1 . . . . . . . . 5341 1 520 . 1 1 137 137 GLY H H 1 7.95 0.04 . 1 . . . . . . . . 5341 1 521 . 1 1 137 137 GLY CA C 13 44.69 0.1 . 1 . . . . . . . . 5341 1 522 . 1 1 137 137 GLY C C 13 174.94 0.1 . 1 . . . . . . . . 5341 1 523 . 1 1 138 138 THR N N 15 116.22 0.05 . 1 . . . . . . . . 5341 1 524 . 1 1 138 138 THR H H 1 8.06 0.04 . 1 . . . . . . . . 5341 1 525 . 1 1 138 138 THR CA C 13 61.56 0.1 . 1 . . . . . . . . 5341 1 526 . 1 1 138 138 THR C C 13 172.50 0.1 . 1 . . . . . . . . 5341 1 527 . 1 1 139 139 PHE N N 15 129.02 0.05 . 1 . . . . . . . . 5341 1 528 . 1 1 139 139 PHE H H 1 8.17 0.04 . 1 . . . . . . . . 5341 1 529 . 1 1 139 139 PHE CA C 13 57.67 0.1 . 1 . . . . . . . . 5341 1 530 . 1 1 139 139 PHE C C 13 174.76 0.1 . 1 . . . . . . . . 5341 1 531 . 1 1 140 140 GLN N N 15 127.19 0.05 . 1 . . . . . . . . 5341 1 532 . 1 1 140 140 GLN H H 1 9.24 0.04 . 1 . . . . . . . . 5341 1 533 . 1 1 140 140 GLN CA C 13 54.22 0.1 . 1 . . . . . . . . 5341 1 534 . 1 1 140 140 GLN NE2 N 15 114.55 0.05 . 1 . . . . . . . . 5341 1 535 . 1 1 140 140 GLN HE21 H 1 7.47 0.04 . 1 . . . . . . . . 5341 1 536 . 1 1 140 140 GLN HE22 H 1 6.97 0.04 . 1 . . . . . . . . 5341 1 537 . 1 1 140 140 GLN C C 13 174.72 0.1 . 1 . . . . . . . . 5341 1 538 . 1 1 141 141 ILE N N 15 123.43 0.05 . 1 . . . . . . . . 5341 1 539 . 1 1 141 141 ILE H H 1 8.12 0.04 . 1 . . . . . . . . 5341 1 540 . 1 1 141 141 ILE CA C 13 60.64 0.1 . 1 . . . . . . . . 5341 1 541 . 1 1 141 141 ILE C C 13 175.50 0.1 . 1 . . . . . . . . 5341 1 542 . 1 1 142 142 ASP N N 15 124.72 0.05 . 1 . . . . . . . . 5341 1 543 . 1 1 142 142 ASP H H 1 8.41 0.04 . 1 . . . . . . . . 5341 1 544 . 1 1 142 142 ASP CA C 13 54.60 0.1 . 1 . . . . . . . . 5341 1 545 . 1 1 142 142 ASP C C 13 176.67 0.1 . 1 . . . . . . . . 5341 1 546 . 1 1 143 143 GLY N N 15 109.70 0.05 . 1 . . . . . . . . 5341 1 547 . 1 1 143 143 GLY H H 1 8.46 0.04 . 1 . . . . . . . . 5341 1 548 . 1 1 143 143 GLY CA C 13 45.60 0.1 . 1 . . . . . . . . 5341 1 549 . 1 1 143 143 GLY C C 13 174.42 0.1 . 1 . . . . . . . . 5341 1 550 . 1 1 144 144 ARG N N 15 120.25 0.05 . 1 . . . . . . . . 5341 1 551 . 1 1 144 144 ARG H H 1 8.17 0.04 . 1 . . . . . . . . 5341 1 552 . 1 1 144 144 ARG CA C 13 56.34 0.1 . 1 . . . . . . . . 5341 1 553 . 1 1 144 144 ARG C C 13 176.63 0.1 . 1 . . . . . . . . 5341 1 554 . 1 1 145 145 SER N N 15 116.72 0.05 . 1 . . . . . . . . 5341 1 555 . 1 1 145 145 SER H H 1 8.38 0.04 . 1 . . . . . . . . 5341 1 556 . 1 1 145 145 SER CA C 13 58.50 0.1 . 1 . . . . . . . . 5341 1 557 . 1 1 145 145 SER C C 13 174.45 0.1 . 1 . . . . . . . . 5341 1 558 . 1 1 146 146 ALA N N 15 126.01 0.05 . 1 . . . . . . . . 5341 1 559 . 1 1 146 146 ALA H H 1 8.34 0.04 . 1 . . . . . . . . 5341 1 560 . 1 1 146 146 ALA CA C 13 52.75 0.1 . 1 . . . . . . . . 5341 1 561 . 1 1 146 146 ALA C C 13 177.79 0.1 . 1 . . . . . . . . 5341 1 562 . 1 1 147 147 ARG N N 15 119.78 0.05 . 1 . . . . . . . . 5341 1 563 . 1 1 147 147 ARG H H 1 8.29 0.04 . 1 . . . . . . . . 5341 1 564 . 1 1 147 147 ARG CA C 13 56.25 0.1 . 1 . . . . . . . . 5341 1 565 . 1 1 147 147 ARG C C 13 176.98 0.1 . 1 . . . . . . . . 5341 1 566 . 1 1 148 148 GLY N N 15 109.76 0.05 . 1 . . . . . . . . 5341 1 567 . 1 1 148 148 GLY H H 1 8.39 0.04 . 1 . . . . . . . . 5341 1 568 . 1 1 148 148 GLY CA C 13 45.48 0.1 . 1 . . . . . . . . 5341 1 569 . 1 1 148 148 GLY C C 13 174.75 0.1 . 1 . . . . . . . . 5341 1 570 . 1 1 149 149 GLY N N 15 108.66 0.05 . 1 . . . . . . . . 5341 1 571 . 1 1 149 149 GLY H H 1 8.31 0.04 . 1 . . . . . . . . 5341 1 572 . 1 1 149 149 GLY CA C 13 45.38 0.1 . 1 . . . . . . . . 5341 1 573 . 1 1 149 149 GLY C C 13 174.34 0.1 . 1 . . . . . . . . 5341 1 574 . 1 1 150 150 GLN N N 15 119.69 0.05 . 1 . . . . . . . . 5341 1 575 . 1 1 150 150 GLN H H 1 8.33 0.04 . 1 . . . . . . . . 5341 1 576 . 1 1 150 150 GLN CA C 13 56.02 0.1 . 1 . . . . . . . . 5341 1 577 . 1 1 150 150 GLN NE2 N 15 112.45 0.05 . 1 . . . . . . . . 5341 1 578 . 1 1 150 150 GLN HE21 H 1 7.54 0.04 . 1 . . . . . . . . 5341 1 579 . 1 1 150 150 GLN HE22 H 1 6.87 0.04 . 1 . . . . . . . . 5341 1 580 . 1 1 150 150 GLN C C 13 176.17 0.1 . 1 . . . . . . . . 5341 1 581 . 1 1 151 151 GLN N N 15 121.59 0.05 . 1 . . . . . . . . 5341 1 582 . 1 1 151 151 GLN H H 1 8.55 0.04 . 1 . . . . . . . . 5341 1 583 . 1 1 151 151 GLN CA C 13 56.14 0.1 . 1 . . . . . . . . 5341 1 584 . 1 1 151 151 GLN C C 13 176.22 0.1 . 1 . . . . . . . . 5341 1 585 . 1 1 152 152 THR N N 15 115.22 0.05 . 1 . . . . . . . . 5341 1 586 . 1 1 152 152 THR H H 1 8.24 0.04 . 1 . . . . . . . . 5341 1 587 . 1 1 152 152 THR CA C 13 61.77 0.1 . 1 . . . . . . . . 5341 1 588 . 1 1 152 152 THR C C 13 174.39 0.1 . 1 . . . . . . . . 5341 1 589 . 1 1 153 153 ALA N N 15 126.01 0.05 . 1 . . . . . . . . 5341 1 590 . 1 1 153 153 ALA H H 1 8.39 0.04 . 1 . . . . . . . . 5341 1 591 . 1 1 153 153 ALA CA C 13 52.75 0.1 . 1 . . . . . . . . 5341 1 592 . 1 1 153 153 ALA C C 13 177.53 0.1 . 1 . . . . . . . . 5341 1 593 . 1 1 154 154 ASN N N 15 117.86 0.05 . 1 . . . . . . . . 5341 1 594 . 1 1 154 154 ASN H H 1 8.38 0.04 . 1 . . . . . . . . 5341 1 595 . 1 1 154 154 ASN CA C 13 53.51 0.1 . 1 . . . . . . . . 5341 1 596 . 1 1 154 154 ASN ND2 N 15 112.78 0.05 . 1 . . . . . . . . 5341 1 597 . 1 1 154 154 ASN HD21 H 1 7.61 0.04 . 1 . . . . . . . . 5341 1 598 . 1 1 154 154 ASN HD22 H 1 6.93 0.04 . 1 . . . . . . . . 5341 1 599 . 1 1 154 154 ASN C C 13 175.15 0.1 . 1 . . . . . . . . 5341 1 600 . 1 1 155 155 ASP N N 15 120.68 0.05 . 1 . . . . . . . . 5341 1 601 . 1 1 155 155 ASP H H 1 8.23 0.04 . 1 . . . . . . . . 5341 1 602 . 1 1 155 155 ASP CA C 13 54.47 0.1 . 1 . . . . . . . . 5341 1 603 . 1 1 155 155 ASP C C 13 176.16 0.1 . 1 . . . . . . . . 5341 1 604 . 1 1 156 156 ALA N N 15 123.47 0.05 . 1 . . . . . . . . 5341 1 605 . 1 1 156 156 ALA H H 1 8.12 0.04 . 1 . . . . . . . . 5341 1 606 . 1 1 156 156 ALA CA C 13 52.96 0.1 . 1 . . . . . . . . 5341 1 607 . 1 1 156 156 ALA C C 13 177.51 0.1 . 1 . . . . . . . . 5341 1 608 . 1 1 157 157 TYR N N 15 118.08 0.05 . 1 . . . . . . . . 5341 1 609 . 1 1 157 157 TYR H H 1 7.99 0.04 . 1 . . . . . . . . 5341 1 610 . 1 1 157 157 TYR CA C 13 57.63 0.1 . 1 . . . . . . . . 5341 1 611 . 1 1 157 157 TYR C C 13 175.41 0.1 . 1 . . . . . . . . 5341 1 612 . 1 1 158 158 ALA N N 15 125.58 0.05 . 1 . . . . . . . . 5341 1 613 . 1 1 158 158 ALA H H 1 7.93 0.04 . 1 . . . . . . . . 5341 1 614 . 1 1 158 158 ALA CA C 13 52.44 0.1 . 1 . . . . . . . . 5341 1 615 . 1 1 158 158 ALA C C 13 176.38 0.1 . 1 . . . . . . . . 5341 1 616 . 1 1 159 159 LYS N N 15 126.04 0.05 . 1 . . . . . . . . 5341 1 617 . 1 1 159 159 LYS H H 1 7.82 0.04 . 1 . . . . . . . . 5341 1 618 . 1 1 159 159 LYS CA C 13 57.70 0.1 . 1 . . . . . . . . 5341 1 stop_ save_