data_4309 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4309 _Entry.Title ; Backbone NMR Assignment and Secondary Structure of the 19 kDa Hemophore HasA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-02-18 _Entry.Accession_date 1999-02-18 _Entry.Last_release_date 1999-08-12 _Entry.Original_release_date 1999-08-12 _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 Nadia Izadi-Pruneyre . . . 4309 2 Nicolas Wolff . . . 4309 3 Claire Castagne . . . 4309 4 Michael Czisch . . . 4309 5 Cecile Wandersman . . . 4309 6 Muriel Delepierre . . . 4309 7 Anne Lecroisey . . . 4309 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4309 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 4309 '15N chemical shifts' 172 4309 '1H chemical shifts' 369 4309 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 . . 1999-08-12 1999-02-18 original author . 4309 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4309 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99356755 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Izadi-Pruneyre, N., Wolff, N., Castagne, C., Czisch, M., Wandersman, C., Delepierre, M., and Lecroisey, A., "Backbone NMR Assignment and Secondary Structure of the 19 kDa Hemophore HasA," J. Biomol. NMR 14, 193-194 (1999). ; _Citation.Title 'Backbone NMR Assignment and Secondary Structure of the 19 kDa Hemophore HasA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 193 _Citation.Page_last 194 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nadia Izadi-Pruneyre . . . 4309 1 2 Nicolas Wolff . . . 4309 1 3 Claire Castagne . . . 4309 1 4 Michael Czisch . . . 4309 1 5 Cecile Wandersman . . . 4309 1 6 Muriel Delepierre . . . 4309 1 7 Anne Lecroisey . . . 4309 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HasA protein' 4309 1 'nmr assignment' 4309 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HasA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HasA _Assembly.Entry_ID 4309 _Assembly.ID 1 _Assembly.Name HasA _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 4309 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 HasA 1 $HasA . . . native . . . . . 4309 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID HasA abbreviation 4309 1 HasA system 4309 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HasA _Entity.Sf_category entity _Entity.Sf_framecode HasA _Entity.Entry_ID 4309 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HasA _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 ; AFSVNYDSSFGGYSIHDYLG QWASTFGDVNHTNGNVTDAN SGGFYGGSLSGSQYAISSTA NQVTAFVAGGNLTYTLFNEP AHTLYGQLDSLSFGDGLSGG DTSPYSIQVPDVSFGGLNLS SLQAQGHDGVVHQVVYGLMS GDTGALETALNGILDDYGLS VNSTFDQVAAATAVGVQH ; _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 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18284.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1B2V . "Heme-binding Protein A" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 2 no PDB 1DK0 . "Crystal Structure Of The Hemophore Hasa From Serratia Marcescens Crystal Form P2(1), Ph8" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 3 no PDB 1DKH . "Crystal Structure Of The Hemophore Hasa, Ph 6.5" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 4 no PDB 1YBJ . "Structural And Dynamics Studies Of Both Apo And Holo Forms Of The Hemophore Hasa" . . . . . 100.00 178 100.00 100.00 2.69e-118 . . . . 4309 1 5 no PDB 2CN4 . "The Crystal Structure Of The Secreted Dimeric Form Of The Hemophore Hasa Reveals A Domain Swapping With An Exchanged Heme Ligan" . . . . . 97.19 173 100.00 100.00 2.32e-114 . . . . 4309 1 6 no PDB 2UYD . "Crystal Structure Of The Smhasa Mutant H83a" . . . . . 100.00 188 99.44 99.44 2.75e-117 . . . . 4309 1 7 no PDB 3CSL . "Structure Of The Serratia Marcescens Hemophore Receptor Hasr In Complex With Its Hemophore Hasa And Heme" . . . . . 100.00 206 100.00 100.00 2.13e-118 . . . . 4309 1 8 no PDB 3CSN . "Structure Of The Serratia Marcescens Hemophore Receptor Hasr In Complex With Its Hemophore Hasa" . . . . . 100.00 206 100.00 100.00 2.13e-118 . . . . 4309 1 9 no PDB 3DDR . "Structure Of The Serratia Marcescens Hemophore Receptor Hasr-Ile671gly Mutant In Complex With Its Hemophore Hasa And Heme" . . . . . 100.00 206 100.00 100.00 2.13e-118 . . . . 4309 1 10 no EMBL CAA57068 . "hasA [Serratia marcescens]" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 11 no GB KFD10589 . "hemophore [Serratia marcescens subsp. marcescens ATCC 13880]" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 12 no GB KFL05309 . "hemophore HasA [Serratia marcescens]" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 13 no REF WP_016928898 . "MULTISPECIES: hemophore HasA [Serratia]" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 14 no SP Q54450 . "RecName: Full=Hemophore HasA; AltName: Full=Heme acquisition system protein A" . . . . . 100.00 188 100.00 100.00 2.40e-118 . . . . 4309 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HasA abbreviation 4309 1 HasA common 4309 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 . ALA . 4309 1 2 . PHE . 4309 1 3 . SER . 4309 1 4 . VAL . 4309 1 5 . ASN . 4309 1 6 . TYR . 4309 1 7 . ASP . 4309 1 8 . SER . 4309 1 9 . SER . 4309 1 10 . PHE . 4309 1 11 . GLY . 4309 1 12 . GLY . 4309 1 13 . TYR . 4309 1 14 . SER . 4309 1 15 . ILE . 4309 1 16 . HIS . 4309 1 17 . ASP . 4309 1 18 . TYR . 4309 1 19 . LEU . 4309 1 20 . GLY . 4309 1 21 . GLN . 4309 1 22 . TRP . 4309 1 23 . ALA . 4309 1 24 . SER . 4309 1 25 . THR . 4309 1 26 . PHE . 4309 1 27 . GLY . 4309 1 28 . ASP . 4309 1 29 . VAL . 4309 1 30 . ASN . 4309 1 31 . HIS . 4309 1 32 . THR . 4309 1 33 . ASN . 4309 1 34 . GLY . 4309 1 35 . ASN . 4309 1 36 . VAL . 4309 1 37 . THR . 4309 1 38 . ASP . 4309 1 39 . ALA . 4309 1 40 . ASN . 4309 1 41 . SER . 4309 1 42 . GLY . 4309 1 43 . GLY . 4309 1 44 . PHE . 4309 1 45 . TYR . 4309 1 46 . GLY . 4309 1 47 . GLY . 4309 1 48 . SER . 4309 1 49 . LEU . 4309 1 50 . SER . 4309 1 51 . GLY . 4309 1 52 . SER . 4309 1 53 . GLN . 4309 1 54 . TYR . 4309 1 55 . ALA . 4309 1 56 . ILE . 4309 1 57 . SER . 4309 1 58 . SER . 4309 1 59 . THR . 4309 1 60 . ALA . 4309 1 61 . ASN . 4309 1 62 . GLN . 4309 1 63 . VAL . 4309 1 64 . THR . 4309 1 65 . ALA . 4309 1 66 . PHE . 4309 1 67 . VAL . 4309 1 68 . ALA . 4309 1 69 . GLY . 4309 1 70 . GLY . 4309 1 71 . ASN . 4309 1 72 . LEU . 4309 1 73 . THR . 4309 1 74 . TYR . 4309 1 75 . THR . 4309 1 76 . LEU . 4309 1 77 . PHE . 4309 1 78 . ASN . 4309 1 79 . GLU . 4309 1 80 . PRO . 4309 1 81 . ALA . 4309 1 82 . HIS . 4309 1 83 . THR . 4309 1 84 . LEU . 4309 1 85 . TYR . 4309 1 86 . GLY . 4309 1 87 . GLN . 4309 1 88 . LEU . 4309 1 89 . ASP . 4309 1 90 . SER . 4309 1 91 . LEU . 4309 1 92 . SER . 4309 1 93 . PHE . 4309 1 94 . GLY . 4309 1 95 . ASP . 4309 1 96 . GLY . 4309 1 97 . LEU . 4309 1 98 . SER . 4309 1 99 . GLY . 4309 1 100 . GLY . 4309 1 101 . ASP . 4309 1 102 . THR . 4309 1 103 . SER . 4309 1 104 . PRO . 4309 1 105 . TYR . 4309 1 106 . SER . 4309 1 107 . ILE . 4309 1 108 . GLN . 4309 1 109 . VAL . 4309 1 110 . PRO . 4309 1 111 . ASP . 4309 1 112 . VAL . 4309 1 113 . SER . 4309 1 114 . PHE . 4309 1 115 . GLY . 4309 1 116 . GLY . 4309 1 117 . LEU . 4309 1 118 . ASN . 4309 1 119 . LEU . 4309 1 120 . SER . 4309 1 121 . SER . 4309 1 122 . LEU . 4309 1 123 . GLN . 4309 1 124 . ALA . 4309 1 125 . GLN . 4309 1 126 . GLY . 4309 1 127 . HIS . 4309 1 128 . ASP . 4309 1 129 . GLY . 4309 1 130 . VAL . 4309 1 131 . VAL . 4309 1 132 . HIS . 4309 1 133 . GLN . 4309 1 134 . VAL . 4309 1 135 . VAL . 4309 1 136 . TYR . 4309 1 137 . GLY . 4309 1 138 . LEU . 4309 1 139 . MET . 4309 1 140 . SER . 4309 1 141 . GLY . 4309 1 142 . ASP . 4309 1 143 . THR . 4309 1 144 . GLY . 4309 1 145 . ALA . 4309 1 146 . LEU . 4309 1 147 . GLU . 4309 1 148 . THR . 4309 1 149 . ALA . 4309 1 150 . LEU . 4309 1 151 . ASN . 4309 1 152 . GLY . 4309 1 153 . ILE . 4309 1 154 . LEU . 4309 1 155 . ASP . 4309 1 156 . ASP . 4309 1 157 . TYR . 4309 1 158 . GLY . 4309 1 159 . LEU . 4309 1 160 . SER . 4309 1 161 . VAL . 4309 1 162 . ASN . 4309 1 163 . SER . 4309 1 164 . THR . 4309 1 165 . PHE . 4309 1 166 . ASP . 4309 1 167 . GLN . 4309 1 168 . VAL . 4309 1 169 . ALA . 4309 1 170 . ALA . 4309 1 171 . ALA . 4309 1 172 . THR . 4309 1 173 . ALA . 4309 1 174 . VAL . 4309 1 175 . GLY . 4309 1 176 . VAL . 4309 1 177 . GLN . 4309 1 178 . HIS . 4309 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 . ALA 1 1 4309 1 . PHE 2 2 4309 1 . SER 3 3 4309 1 . VAL 4 4 4309 1 . ASN 5 5 4309 1 . TYR 6 6 4309 1 . ASP 7 7 4309 1 . SER 8 8 4309 1 . SER 9 9 4309 1 . PHE 10 10 4309 1 . GLY 11 11 4309 1 . GLY 12 12 4309 1 . TYR 13 13 4309 1 . SER 14 14 4309 1 . ILE 15 15 4309 1 . HIS 16 16 4309 1 . ASP 17 17 4309 1 . TYR 18 18 4309 1 . LEU 19 19 4309 1 . GLY 20 20 4309 1 . GLN 21 21 4309 1 . TRP 22 22 4309 1 . ALA 23 23 4309 1 . SER 24 24 4309 1 . THR 25 25 4309 1 . PHE 26 26 4309 1 . GLY 27 27 4309 1 . ASP 28 28 4309 1 . VAL 29 29 4309 1 . ASN 30 30 4309 1 . HIS 31 31 4309 1 . THR 32 32 4309 1 . ASN 33 33 4309 1 . GLY 34 34 4309 1 . ASN 35 35 4309 1 . VAL 36 36 4309 1 . THR 37 37 4309 1 . ASP 38 38 4309 1 . ALA 39 39 4309 1 . ASN 40 40 4309 1 . SER 41 41 4309 1 . GLY 42 42 4309 1 . GLY 43 43 4309 1 . PHE 44 44 4309 1 . TYR 45 45 4309 1 . GLY 46 46 4309 1 . GLY 47 47 4309 1 . SER 48 48 4309 1 . LEU 49 49 4309 1 . SER 50 50 4309 1 . GLY 51 51 4309 1 . SER 52 52 4309 1 . GLN 53 53 4309 1 . TYR 54 54 4309 1 . ALA 55 55 4309 1 . ILE 56 56 4309 1 . SER 57 57 4309 1 . SER 58 58 4309 1 . THR 59 59 4309 1 . ALA 60 60 4309 1 . ASN 61 61 4309 1 . GLN 62 62 4309 1 . VAL 63 63 4309 1 . THR 64 64 4309 1 . ALA 65 65 4309 1 . PHE 66 66 4309 1 . VAL 67 67 4309 1 . ALA 68 68 4309 1 . GLY 69 69 4309 1 . GLY 70 70 4309 1 . ASN 71 71 4309 1 . LEU 72 72 4309 1 . THR 73 73 4309 1 . TYR 74 74 4309 1 . THR 75 75 4309 1 . LEU 76 76 4309 1 . PHE 77 77 4309 1 . ASN 78 78 4309 1 . GLU 79 79 4309 1 . PRO 80 80 4309 1 . ALA 81 81 4309 1 . HIS 82 82 4309 1 . THR 83 83 4309 1 . LEU 84 84 4309 1 . TYR 85 85 4309 1 . GLY 86 86 4309 1 . GLN 87 87 4309 1 . LEU 88 88 4309 1 . ASP 89 89 4309 1 . SER 90 90 4309 1 . LEU 91 91 4309 1 . SER 92 92 4309 1 . PHE 93 93 4309 1 . GLY 94 94 4309 1 . ASP 95 95 4309 1 . GLY 96 96 4309 1 . LEU 97 97 4309 1 . SER 98 98 4309 1 . GLY 99 99 4309 1 . GLY 100 100 4309 1 . ASP 101 101 4309 1 . THR 102 102 4309 1 . SER 103 103 4309 1 . PRO 104 104 4309 1 . TYR 105 105 4309 1 . SER 106 106 4309 1 . ILE 107 107 4309 1 . GLN 108 108 4309 1 . VAL 109 109 4309 1 . PRO 110 110 4309 1 . ASP 111 111 4309 1 . VAL 112 112 4309 1 . SER 113 113 4309 1 . PHE 114 114 4309 1 . GLY 115 115 4309 1 . GLY 116 116 4309 1 . LEU 117 117 4309 1 . ASN 118 118 4309 1 . LEU 119 119 4309 1 . SER 120 120 4309 1 . SER 121 121 4309 1 . LEU 122 122 4309 1 . GLN 123 123 4309 1 . ALA 124 124 4309 1 . GLN 125 125 4309 1 . GLY 126 126 4309 1 . HIS 127 127 4309 1 . ASP 128 128 4309 1 . GLY 129 129 4309 1 . VAL 130 130 4309 1 . VAL 131 131 4309 1 . HIS 132 132 4309 1 . GLN 133 133 4309 1 . VAL 134 134 4309 1 . VAL 135 135 4309 1 . TYR 136 136 4309 1 . GLY 137 137 4309 1 . LEU 138 138 4309 1 . MET 139 139 4309 1 . SER 140 140 4309 1 . GLY 141 141 4309 1 . ASP 142 142 4309 1 . THR 143 143 4309 1 . GLY 144 144 4309 1 . ALA 145 145 4309 1 . LEU 146 146 4309 1 . GLU 147 147 4309 1 . THR 148 148 4309 1 . ALA 149 149 4309 1 . LEU 150 150 4309 1 . ASN 151 151 4309 1 . GLY 152 152 4309 1 . ILE 153 153 4309 1 . LEU 154 154 4309 1 . ASP 155 155 4309 1 . ASP 156 156 4309 1 . TYR 157 157 4309 1 . GLY 158 158 4309 1 . LEU 159 159 4309 1 . SER 160 160 4309 1 . VAL 161 161 4309 1 . ASN 162 162 4309 1 . SER 163 163 4309 1 . THR 164 164 4309 1 . PHE 165 165 4309 1 . ASP 166 166 4309 1 . GLN 167 167 4309 1 . VAL 168 168 4309 1 . ALA 169 169 4309 1 . ALA 170 170 4309 1 . ALA 171 171 4309 1 . THR 172 172 4309 1 . ALA 173 173 4309 1 . VAL 174 174 4309 1 . GLY 175 175 4309 1 . VAL 176 176 4309 1 . GLN 177 177 4309 1 . HIS 178 178 4309 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 4309 _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 $HasA . 615 organism . 'Serratia marcescens' Enterobacteria . . Eubacteria . Serratia marcescens . . . . . . . . . . . . . . . . . . . . . 4309 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 4309 _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 $HasA . 'recombinant technology' 'Escherichia coli' 'E. Coli' . . Escherichia coli Pop3 . . . . . . . . . . . . plasmid . . pSYC34 . . . . . . 4309 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4309 _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 HasA '[U-95% 15N]' . . 1 $HasA . . 2.0 . . mM . . . . 4309 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4309 _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 HasA '[15N 95%]-Leu' . . 1 $HasA . . 2.0 . . mM . . . . 4309 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4309 _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 HasA '[U-95% 13C; U-95% 15N]' . . 1 $HasA . . 2.0 . . mM . . . . 4309 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-condition _Sample_condition_list.Entry_ID 4309 _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 5.6 0.1 na 4309 1 temperature 303 1 K 4309 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4309 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4309 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4309 _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 Varian Unity . 500 . . . 4309 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 4309 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-condition . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4309 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-condition . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4309 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-condition . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4309 1 4 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-condition . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4309 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-condition . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4309 1 6 HNCO . . . . . . . . . . . . . . . . 1 $Ex-condition . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4309 1 7 '1H-15N HMQC-J' . . . . . . . . . . . . . . . . 1 $Ex-condition . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4309 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 4309 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _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 4309 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _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 4309 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _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 4309 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _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 4309 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _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 4309 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _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 4309 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-15N HMQC-J' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _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 4309 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4309 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4309 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4309 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_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set _Assigned_chem_shift_list.Entry_ID 4309 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-condition _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 $sample_1 . 4309 1 . . 2 $sample_2 . 4309 1 . . 3 $sample_3 . 4309 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.14 . . 1 . . . . . . . . 4309 1 2 . 1 1 1 1 ALA HA H 1 4.85 . . 1 . . . . . . . . 4309 1 3 . 1 1 1 1 ALA C C 13 173.2 . . 1 . . . . . . . . 4309 1 4 . 1 1 1 1 ALA CA C 13 51.7 . . 1 . . . . . . . . 4309 1 5 . 1 1 1 1 ALA N N 15 121.9 . . 1 . . . . . . . . 4309 1 6 . 1 1 2 2 PHE H H 1 8.73 . . 1 . . . . . . . . 4309 1 7 . 1 1 2 2 PHE HA H 1 5.14 . . 1 . . . . . . . . 4309 1 8 . 1 1 2 2 PHE C C 13 180.3 . . 1 . . . . . . . . 4309 1 9 . 1 1 2 2 PHE CA C 13 58.0 . . 1 . . . . . . . . 4309 1 10 . 1 1 2 2 PHE N N 15 125.4 . . 1 . . . . . . . . 4309 1 11 . 1 1 3 3 SER H H 1 8.02 . . 1 . . . . . . . . 4309 1 12 . 1 1 3 3 SER HA H 1 4.45 . . 1 . . . . . . . . 4309 1 13 . 1 1 3 3 SER C C 13 171.7 . . 1 . . . . . . . . 4309 1 14 . 1 1 3 3 SER CA C 13 56.5 . . 1 . . . . . . . . 4309 1 15 . 1 1 3 3 SER N N 15 122.67 . . 1 . . . . . . . . 4309 1 16 . 1 1 4 4 VAL H H 1 8.39 . . 1 . . . . . . . . 4309 1 17 . 1 1 4 4 VAL HA H 1 5.08 . . 1 . . . . . . . . 4309 1 18 . 1 1 4 4 VAL C C 13 173.1 . . 1 . . . . . . . . 4309 1 19 . 1 1 4 4 VAL CA C 13 58.7 . . 1 . . . . . . . . 4309 1 20 . 1 1 4 4 VAL N N 15 115.8 . . 1 . . . . . . . . 4309 1 21 . 1 1 5 5 ASN H H 1 8.57 . . 1 . . . . . . . . 4309 1 22 . 1 1 5 5 ASN HA H 1 4.86 . . 1 . . . . . . . . 4309 1 23 . 1 1 5 5 ASN C C 13 173.0 . . 1 . . . . . . . . 4309 1 24 . 1 1 5 5 ASN CA C 13 52.3 . . 1 . . . . . . . . 4309 1 25 . 1 1 5 5 ASN N N 15 124.3 . . 1 . . . . . . . . 4309 1 26 . 1 1 6 6 TYR H H 1 7.86 . . 1 . . . . . . . . 4309 1 27 . 1 1 6 6 TYR HA H 1 5.10 . . 1 . . . . . . . . 4309 1 28 . 1 1 6 6 TYR C C 13 173.8 . . 1 . . . . . . . . 4309 1 29 . 1 1 6 6 TYR CA C 13 54.7 . . 1 . . . . . . . . 4309 1 30 . 1 1 6 6 TYR N N 15 120.1 . . 1 . . . . . . . . 4309 1 31 . 1 1 7 7 ASP H H 1 8.33 . . 1 . . . . . . . . 4309 1 32 . 1 1 7 7 ASP HA H 1 4.41 . . 1 . . . . . . . . 4309 1 33 . 1 1 7 7 ASP C C 13 178.0 . . 1 . . . . . . . . 4309 1 34 . 1 1 7 7 ASP CA C 13 54.9 . . 1 . . . . . . . . 4309 1 35 . 1 1 7 7 ASP N N 15 123.7 . . 1 . . . . . . . . 4309 1 36 . 1 1 8 8 SER H H 1 8.83 . . 1 . . . . . . . . 4309 1 37 . 1 1 8 8 SER HA H 1 4.05 . . 1 . . . . . . . . 4309 1 38 . 1 1 8 8 SER C C 13 176.4 . . 1 . . . . . . . . 4309 1 39 . 1 1 8 8 SER CA C 13 61.8 . . 1 . . . . . . . . 4309 1 40 . 1 1 8 8 SER N N 15 124.2 . . 1 . . . . . . . . 4309 1 41 . 1 1 9 9 SER H H 1 8.76 . . 1 . . . . . . . . 4309 1 42 . 1 1 9 9 SER HA H 1 4.08 . . 1 . . . . . . . . 4309 1 43 . 1 1 9 9 SER C C 13 176.0 . . 1 . . . . . . . . 4309 1 44 . 1 1 9 9 SER CA C 13 62.6 . . 1 . . . . . . . . 4309 1 45 . 1 1 9 9 SER N N 15 121.8 . . 1 . . . . . . . . 4309 1 46 . 1 1 10 10 PHE H H 1 8.29 . . 1 . . . . . . . . 4309 1 47 . 1 1 10 10 PHE HA H 1 4.64 . . 1 . . . . . . . . 4309 1 48 . 1 1 10 10 PHE C C 13 176.8 . . 1 . . . . . . . . 4309 1 49 . 1 1 10 10 PHE CA C 13 58.0 . . 1 . . . . . . . . 4309 1 50 . 1 1 10 10 PHE N N 15 120.8 . . 1 . . . . . . . . 4309 1 51 . 1 1 11 11 GLY H H 1 8.01 . . 1 . . . . . . . . 4309 1 52 . 1 1 11 11 GLY HA2 H 1 3.67 . . 2 . . . . . . . . 4309 1 53 . 1 1 11 11 GLY HA3 H 1 4.24 . . 2 . . . . . . . . 4309 1 54 . 1 1 11 11 GLY C C 13 173.8 . . 1 . . . . . . . . 4309 1 55 . 1 1 11 11 GLY CA C 13 49.4 . . 1 . . . . . . . . 4309 1 56 . 1 1 11 11 GLY N N 15 108.4 . . 1 . . . . . . . . 4309 1 57 . 1 1 12 12 GLY H H 1 8.61 . . 1 . . . . . . . . 4309 1 58 . 1 1 12 12 GLY HA2 H 1 3.68 . . 2 . . . . . . . . 4309 1 59 . 1 1 12 12 GLY HA3 H 1 4.53 . . 2 . . . . . . . . 4309 1 60 . 1 1 12 12 GLY C C 13 175.6 . . 1 . . . . . . . . 4309 1 61 . 1 1 12 12 GLY CA C 13 44.6 . . 1 . . . . . . . . 4309 1 62 . 1 1 12 12 GLY N N 15 104.3 . . 1 . . . . . . . . 4309 1 63 . 1 1 13 13 TYR H H 1 8.40 . . 1 . . . . . . . . 4309 1 64 . 1 1 13 13 TYR HA H 1 4.80 . . 1 . . . . . . . . 4309 1 65 . 1 1 13 13 TYR C C 13 176.6 . . 1 . . . . . . . . 4309 1 66 . 1 1 13 13 TYR CA C 13 57.4 . . 1 . . . . . . . . 4309 1 67 . 1 1 13 13 TYR N N 15 125.0 . . 1 . . . . . . . . 4309 1 68 . 1 1 14 14 SER H H 1 9.11 . . 1 . . . . . . . . 4309 1 69 . 1 1 14 14 SER HA H 1 4.85 . . 1 . . . . . . . . 4309 1 70 . 1 1 14 14 SER C C 13 175.5 . . 1 . . . . . . . . 4309 1 71 . 1 1 14 14 SER CA C 13 56.4 . . 1 . . . . . . . . 4309 1 72 . 1 1 14 14 SER N N 15 116.3 . . 1 . . . . . . . . 4309 1 73 . 1 1 15 15 ILE H H 1 7.55 . . 1 . . . . . . . . 4309 1 74 . 1 1 15 15 ILE HA H 1 3.61 . . 1 . . . . . . . . 4309 1 75 . 1 1 15 15 ILE C C 13 177.6 . . 1 . . . . . . . . 4309 1 76 . 1 1 15 15 ILE CA C 13 65.1 . . 1 . . . . . . . . 4309 1 77 . 1 1 15 15 ILE N N 15 124.0 . . 1 . . . . . . . . 4309 1 78 . 1 1 16 16 HIS H H 1 8.99 . . 1 . . . . . . . . 4309 1 79 . 1 1 16 16 HIS HA H 1 4.73 . . 1 . . . . . . . . 4309 1 80 . 1 1 16 16 HIS C C 13 179.7 . . 1 . . . . . . . . 4309 1 81 . 1 1 16 16 HIS CA C 13 57.3 . . 1 . . . . . . . . 4309 1 82 . 1 1 16 16 HIS N N 15 118.6 . . 1 . . . . . . . . 4309 1 83 . 1 1 17 17 ASP H H 1 8.68 . . 1 . . . . . . . . 4309 1 84 . 1 1 17 17 ASP HA H 1 3.93 . . 1 . . . . . . . . 4309 1 85 . 1 1 17 17 ASP N N 15 122.8 . . 1 . . . . . . . . 4309 1 86 . 1 1 18 18 TYR C C 13 176.1 . . 1 . . . . . . . . 4309 1 87 . 1 1 18 18 TYR CA C 13 63.3 . . 1 . . . . . . . . 4309 1 88 . 1 1 19 19 LEU H H 1 8.54 . . 1 . . . . . . . . 4309 1 89 . 1 1 19 19 LEU HA H 1 3.58 . . 1 . . . . . . . . 4309 1 90 . 1 1 19 19 LEU C C 13 178.6 . . 1 . . . . . . . . 4309 1 91 . 1 1 19 19 LEU CA C 13 57.7 . . 1 . . . . . . . . 4309 1 92 . 1 1 19 19 LEU N N 15 120.8 . . 1 . . . . . . . . 4309 1 93 . 1 1 20 20 GLY H H 1 8.01 . . 1 . . . . . . . . 4309 1 94 . 1 1 20 20 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 4309 1 95 . 1 1 20 20 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 4309 1 96 . 1 1 20 20 GLY C C 13 176.5 . . 1 . . . . . . . . 4309 1 97 . 1 1 20 20 GLY CA C 13 46.6 . . 1 . . . . . . . . 4309 1 98 . 1 1 20 20 GLY N N 15 107.1 . . 1 . . . . . . . . 4309 1 99 . 1 1 21 21 GLN H H 1 7.65 . . 1 . . . . . . . . 4309 1 100 . 1 1 21 21 GLN HA H 1 4.11 . . 1 . . . . . . . . 4309 1 101 . 1 1 21 21 GLN C C 13 176.2 . . 1 . . . . . . . . 4309 1 102 . 1 1 21 21 GLN CA C 13 59.0 . . 1 . . . . . . . . 4309 1 103 . 1 1 21 21 GLN N N 15 126.9 . . 1 . . . . . . . . 4309 1 104 . 1 1 22 22 TRP H H 1 8.89 . . 1 . . . . . . . . 4309 1 105 . 1 1 22 22 TRP HA H 1 4.17 . . 1 . . . . . . . . 4309 1 106 . 1 1 22 22 TRP C C 13 176.6 . . 1 . . . . . . . . 4309 1 107 . 1 1 22 22 TRP CA C 13 62.7 . . 1 . . . . . . . . 4309 1 108 . 1 1 22 22 TRP N N 15 126.6 . . 1 . . . . . . . . 4309 1 109 . 1 1 23 23 ALA H H 1 8.73 . . 1 . . . . . . . . 4309 1 110 . 1 1 23 23 ALA HA H 1 4.33 . . 1 . . . . . . . . 4309 1 111 . 1 1 23 23 ALA C C 13 180.8 . . 1 . . . . . . . . 4309 1 112 . 1 1 23 23 ALA CA C 13 55.6 . . 1 . . . . . . . . 4309 1 113 . 1 1 23 23 ALA N N 15 122.8 . . 1 . . . . . . . . 4309 1 114 . 1 1 24 24 SER H H 1 7.97 . . 1 . . . . . . . . 4309 1 115 . 1 1 24 24 SER HA H 1 4.08 . . 1 . . . . . . . . 4309 1 116 . 1 1 24 24 SER C C 13 177.5 . . 1 . . . . . . . . 4309 1 117 . 1 1 24 24 SER CA C 13 61.2 . . 1 . . . . . . . . 4309 1 118 . 1 1 24 24 SER N N 15 115.6 . . 1 . . . . . . . . 4309 1 119 . 1 1 25 25 THR H H 1 8.10 . . 1 . . . . . . . . 4309 1 120 . 1 1 25 25 THR HA H 1 3.77 . . 1 . . . . . . . . 4309 1 121 . 1 1 25 25 THR C C 13 176.5 . . 1 . . . . . . . . 4309 1 122 . 1 1 25 25 THR CA C 13 66.3 . . 1 . . . . . . . . 4309 1 123 . 1 1 25 25 THR N N 15 120.7 . . 1 . . . . . . . . 4309 1 124 . 1 1 26 26 PHE H H 1 8.89 . . 1 . . . . . . . . 4309 1 125 . 1 1 26 26 PHE C C 13 176.4 . . 1 . . . . . . . . 4309 1 126 . 1 1 26 26 PHE CA C 13 61.4 . . 1 . . . . . . . . 4309 1 127 . 1 1 26 26 PHE N N 15 124.5 . . 1 . . . . . . . . 4309 1 128 . 1 1 27 27 GLY H H 1 7.27 . . 1 . . . . . . . . 4309 1 129 . 1 1 27 27 GLY HA2 H 1 3.67 . . 1 . . . . . . . . 4309 1 130 . 1 1 27 27 GLY HA3 H 1 4.10 . . 1 . . . . . . . . 4309 1 131 . 1 1 27 27 GLY C C 13 172.7 . . 1 . . . . . . . . 4309 1 132 . 1 1 27 27 GLY CA C 13 44.6 . . 1 . . . . . . . . 4309 1 133 . 1 1 27 27 GLY N N 15 105.0 . . 1 . . . . . . . . 4309 1 134 . 1 1 28 28 ASP H H 1 7.21 . . 1 . . . . . . . . 4309 1 135 . 1 1 28 28 ASP HA H 1 4.67 . . 1 . . . . . . . . 4309 1 136 . 1 1 28 28 ASP C C 13 178.2 . . 1 . . . . . . . . 4309 1 137 . 1 1 28 28 ASP CA C 13 53.1 . . 1 . . . . . . . . 4309 1 138 . 1 1 28 28 ASP N N 15 121.7 . . 1 . . . . . . . . 4309 1 139 . 1 1 29 29 VAL H H 1 8.64 . . 1 . . . . . . . . 4309 1 140 . 1 1 29 29 VAL HA H 1 3.80 . . 1 . . . . . . . . 4309 1 141 . 1 1 29 29 VAL C C 13 175.8 . . 1 . . . . . . . . 4309 1 142 . 1 1 29 29 VAL CA C 13 63.3 . . 1 . . . . . . . . 4309 1 143 . 1 1 29 29 VAL N N 15 127.1 . . 1 . . . . . . . . 4309 1 144 . 1 1 30 30 ASN H H 1 8.50 . . 1 . . . . . . . . 4309 1 145 . 1 1 30 30 ASN HA H 1 4.77 . . 1 . . . . . . . . 4309 1 146 . 1 1 30 30 ASN C C 13 175.2 . . 1 . . . . . . . . 4309 1 147 . 1 1 30 30 ASN CA C 13 53.1 . . 1 . . . . . . . . 4309 1 148 . 1 1 30 30 ASN N N 15 117.5 . . 1 . . . . . . . . 4309 1 149 . 1 1 31 31 HIS H H 1 7.13 . . 1 . . . . . . . . 4309 1 150 . 1 1 31 31 HIS HA H 1 4.54 . . 1 . . . . . . . . 4309 1 151 . 1 1 31 31 HIS C C 13 179.9 . . 1 . . . . . . . . 4309 1 152 . 1 1 31 31 HIS CA C 13 57.2 . . 1 . . . . . . . . 4309 1 153 . 1 1 31 31 HIS N N 15 120.5 . . 1 . . . . . . . . 4309 1 154 . 1 1 32 32 THR H H 1 7.64 . . 1 . . . . . . . . 4309 1 155 . 1 1 32 32 THR HA H 1 4.11 . . 1 . . . . . . . . 4309 1 156 . 1 1 32 32 THR C C 13 172.2 . . 1 . . . . . . . . 4309 1 157 . 1 1 32 32 THR CA C 13 59.1 . . 1 . . . . . . . . 4309 1 158 . 1 1 32 32 THR N N 15 118.7 . . 1 . . . . . . . . 4309 1 159 . 1 1 33 33 ASN H H 1 8.72 . . 1 . . . . . . . . 4309 1 160 . 1 1 33 33 ASN HA H 1 4.48 . . 1 . . . . . . . . 4309 1 161 . 1 1 33 33 ASN CA C 13 53.4 . . 1 . . . . . . . . 4309 1 162 . 1 1 33 33 ASN N N 15 118.3 . . 1 . . . . . . . . 4309 1 163 . 1 1 34 34 GLY H H 1 8.93 . . 1 . . . . . . . . 4309 1 164 . 1 1 34 34 GLY HA2 H 1 3.99 . . 1 . . . . . . . . 4309 1 165 . 1 1 34 34 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 4309 1 166 . 1 1 34 34 GLY C C 13 174.2 . . 1 . . . . . . . . 4309 1 167 . 1 1 34 34 GLY CA C 13 46.3 . . 1 . . . . . . . . 4309 1 168 . 1 1 34 34 GLY N N 15 115.8 . . 1 . . . . . . . . 4309 1 169 . 1 1 35 35 ASN H H 1 8.59 . . 1 . . . . . . . . 4309 1 170 . 1 1 35 35 ASN HA H 1 4.35 . . 1 . . . . . . . . 4309 1 171 . 1 1 35 35 ASN C C 13 174.4 . . 1 . . . . . . . . 4309 1 172 . 1 1 35 35 ASN CA C 13 53.4 . . 1 . . . . . . . . 4309 1 173 . 1 1 35 35 ASN N N 15 117.8 . . 1 . . . . . . . . 4309 1 174 . 1 1 36 36 VAL H H 1 7.53 . . 1 . . . . . . . . 4309 1 175 . 1 1 36 36 VAL HA H 1 4.23 . . 1 . . . . . . . . 4309 1 176 . 1 1 36 36 VAL C C 13 175.6 . . 1 . . . . . . . . 4309 1 177 . 1 1 36 36 VAL CA C 13 61.6 . . 1 . . . . . . . . 4309 1 178 . 1 1 36 36 VAL N N 15 121.5 . . 1 . . . . . . . . 4309 1 179 . 1 1 37 37 THR H H 1 8.83 . . 1 . . . . . . . . 4309 1 180 . 1 1 37 37 THR HA H 1 4.45 . . 1 . . . . . . . . 4309 1 181 . 1 1 37 37 THR C C 13 173.9 . . 1 . . . . . . . . 4309 1 182 . 1 1 37 37 THR CA C 13 61.0 . . 1 . . . . . . . . 4309 1 183 . 1 1 37 37 THR N N 15 120.6 . . 1 . . . . . . . . 4309 1 184 . 1 1 38 38 ASP H H 1 8.38 . . 1 . . . . . . . . 4309 1 185 . 1 1 38 38 ASP HA H 1 4.57 . . 1 . . . . . . . . 4309 1 186 . 1 1 38 38 ASP C C 13 174.6 . . 1 . . . . . . . . 4309 1 187 . 1 1 38 38 ASP CA C 13 54.3 . . 1 . . . . . . . . 4309 1 188 . 1 1 38 38 ASP N N 15 124.7 . . 1 . . . . . . . . 4309 1 189 . 1 1 39 39 ALA H H 1 8.39 . . 1 . . . . . . . . 4309 1 190 . 1 1 39 39 ALA HA H 1 4.17 . . 1 . . . . . . . . 4309 1 191 . 1 1 39 39 ALA C C 13 175.1 . . 1 . . . . . . . . 4309 1 192 . 1 1 39 39 ALA CA C 13 51.8 . . 1 . . . . . . . . 4309 1 193 . 1 1 39 39 ALA N N 15 125.4 . . 1 . . . . . . . . 4309 1 194 . 1 1 40 40 ASN H H 1 8.14 . . 1 . . . . . . . . 4309 1 195 . 1 1 40 40 ASN HA H 1 4.85 . . 1 . . . . . . . . 4309 1 196 . 1 1 40 40 ASN C C 13 176.4 . . 1 . . . . . . . . 4309 1 197 . 1 1 40 40 ASN CA C 13 53.4 . . 1 . . . . . . . . 4309 1 198 . 1 1 40 40 ASN N N 15 121.9 . . 1 . . . . . . . . 4309 1 199 . 1 1 41 41 SER H H 1 8.62 . . 1 . . . . . . . . 4309 1 200 . 1 1 41 41 SER HA H 1 4.35 . . 1 . . . . . . . . 4309 1 201 . 1 1 41 41 SER C C 13 173.5 . . 1 . . . . . . . . 4309 1 202 . 1 1 41 41 SER N N 15 118.3 . . 1 . . . . . . . . 4309 1 203 . 1 1 42 42 GLY H H 1 8.38 . . 1 . . . . . . . . 4309 1 204 . 1 1 42 42 GLY HA2 H 1 3.22 . . 2 . . . . . . . . 4309 1 205 . 1 1 42 42 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 4309 1 206 . 1 1 42 42 GLY C C 13 172.6 . . 1 . . . . . . . . 4309 1 207 . 1 1 42 42 GLY CA C 13 44.4 . . 1 . . . . . . . . 4309 1 208 . 1 1 42 42 GLY N N 15 110.9 . . 1 . . . . . . . . 4309 1 209 . 1 1 43 43 GLY H H 1 8.40 . . 1 . . . . . . . . 4309 1 210 . 1 1 43 43 GLY HA2 H 1 3.43 . . 2 . . . . . . . . 4309 1 211 . 1 1 43 43 GLY HA3 H 1 4.60 . . 2 . . . . . . . . 4309 1 212 . 1 1 43 43 GLY C C 13 172.7 . . 1 . . . . . . . . 4309 1 213 . 1 1 43 43 GLY CA C 13 43.8 . . 1 . . . . . . . . 4309 1 214 . 1 1 43 43 GLY N N 15 109.1 . . 1 . . . . . . . . 4309 1 215 . 1 1 44 44 PHE H H 1 8.65 . . 1 . . . . . . . . 4309 1 216 . 1 1 44 44 PHE HA H 1 5.42 . . 1 . . . . . . . . 4309 1 217 . 1 1 44 44 PHE CA C 13 58.5 . . 1 . . . . . . . . 4309 1 218 . 1 1 44 44 PHE N N 15 119.2 . . 1 . . . . . . . . 4309 1 219 . 1 1 45 45 TYR H H 1 8.67 . . 1 . . . . . . . . 4309 1 220 . 1 1 45 45 TYR HA H 1 3.54 . . 1 . . . . . . . . 4309 1 221 . 1 1 45 45 TYR C C 13 175.0 . . 1 . . . . . . . . 4309 1 222 . 1 1 45 45 TYR CA C 13 58.0 . . 1 . . . . . . . . 4309 1 223 . 1 1 45 45 TYR N N 15 123.1 . . 1 . . . . . . . . 4309 1 224 . 1 1 46 46 GLY H H 1 8.48 . . 1 . . . . . . . . 4309 1 225 . 1 1 46 46 GLY HA2 H 1 3.29 . . 2 . . . . . . . . 4309 1 226 . 1 1 46 46 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 4309 1 227 . 1 1 46 46 GLY C C 13 173.6 . . 1 . . . . . . . . 4309 1 228 . 1 1 46 46 GLY CA C 13 44.6 . . 1 . . . . . . . . 4309 1 229 . 1 1 46 46 GLY N N 15 116.9 . . 1 . . . . . . . . 4309 1 230 . 1 1 47 47 GLY H H 1 7.61 . . 1 . . . . . . . . 4309 1 231 . 1 1 47 47 GLY HA2 H 1 4.00 . . 2 . . . . . . . . 4309 1 232 . 1 1 47 47 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 4309 1 233 . 1 1 47 47 GLY C C 13 171.9 . . 1 . . . . . . . . 4309 1 234 . 1 1 47 47 GLY CA C 13 45.1 . . 1 . . . . . . . . 4309 1 235 . 1 1 47 47 GLY N N 15 111.8 . . 1 . . . . . . . . 4309 1 236 . 1 1 48 48 SER H H 1 8.25 . . 1 . . . . . . . . 4309 1 237 . 1 1 48 48 SER HA H 1 4.66 . . 1 . . . . . . . . 4309 1 238 . 1 1 48 48 SER C C 13 175.1 . . 1 . . . . . . . . 4309 1 239 . 1 1 48 48 SER CA C 13 59.8 . . 1 . . . . . . . . 4309 1 240 . 1 1 48 48 SER N N 15 114.7 . . 1 . . . . . . . . 4309 1 241 . 1 1 49 49 LEU H H 1 8.14 . . 1 . . . . . . . . 4309 1 242 . 1 1 49 49 LEU HA H 1 4.48 . . 1 . . . . . . . . 4309 1 243 . 1 1 49 49 LEU N N 15 121.83 . . 1 . . . . . . . . 4309 1 244 . 1 1 49 49 LEU CA C 13 52.4 . . 1 . . . . . . . . 4309 1 245 . 1 1 50 50 SER HA H 1 4.43 . . 1 . . . . . . . . 4309 1 246 . 1 1 50 50 SER C C 13 172.0 . . 1 . . . . . . . . 4309 1 247 . 1 1 50 50 SER CA C 13 56.0 . . 1 . . . . . . . . 4309 1 248 . 1 1 51 51 GLY H H 1 8.52 . . 1 . . . . . . . . 4309 1 249 . 1 1 51 51 GLY HA2 H 1 4.04 . . 1 . . . . . . . . 4309 1 250 . 1 1 51 51 GLY HA3 H 1 4.76 . . 1 . . . . . . . . 4309 1 251 . 1 1 51 51 GLY C C 13 172.5 . . 1 . . . . . . . . 4309 1 252 . 1 1 51 51 GLY CA C 13 45.5 . . 1 . . . . . . . . 4309 1 253 . 1 1 51 51 GLY N N 15 105.4 . . 1 . . . . . . . . 4309 1 254 . 1 1 52 52 SER H H 1 8.43 . . 1 . . . . . . . . 4309 1 255 . 1 1 52 52 SER HA H 1 5.26 . . 1 . . . . . . . . 4309 1 256 . 1 1 52 52 SER C C 13 176.5 . . 1 . . . . . . . . 4309 1 257 . 1 1 52 52 SER CA C 13 57.8 . . 1 . . . . . . . . 4309 1 258 . 1 1 52 52 SER N N 15 114.2 . . 1 . . . . . . . . 4309 1 259 . 1 1 53 53 GLN H H 1 8.12 . . 1 . . . . . . . . 4309 1 260 . 1 1 53 53 GLN HA H 1 5.73 . . 1 . . . . . . . . 4309 1 261 . 1 1 53 53 GLN C C 13 174.7 . . 1 . . . . . . . . 4309 1 262 . 1 1 53 53 GLN CA C 13 54.2 . . 1 . . . . . . . . 4309 1 263 . 1 1 53 53 GLN N N 15 119.1 . . 1 . . . . . . . . 4309 1 264 . 1 1 54 54 TYR H H 1 9.04 . . 1 . . . . . . . . 4309 1 265 . 1 1 54 54 TYR HA H 1 4.60 . . 1 . . . . . . . . 4309 1 266 . 1 1 54 54 TYR C C 13 172.0 . . 1 . . . . . . . . 4309 1 267 . 1 1 54 54 TYR CA C 13 56.5 . . 1 . . . . . . . . 4309 1 268 . 1 1 54 54 TYR N N 15 123.5 . . 1 . . . . . . . . 4309 1 269 . 1 1 55 55 ALA H H 1 8.25 . . 1 . . . . . . . . 4309 1 270 . 1 1 55 55 ALA HA H 1 4.41 . . 1 . . . . . . . . 4309 1 271 . 1 1 55 55 ALA C C 13 174.1 . . 1 . . . . . . . . 4309 1 272 . 1 1 55 55 ALA CA C 13 49.4 . . 1 . . . . . . . . 4309 1 273 . 1 1 55 55 ALA N N 15 132.4 . . 1 . . . . . . . . 4309 1 274 . 1 1 56 56 ILE H H 1 7.46 . . 1 . . . . . . . . 4309 1 275 . 1 1 56 56 ILE HA H 1 4.04 . . 1 . . . . . . . . 4309 1 276 . 1 1 56 56 ILE C C 13 174.4 . . 1 . . . . . . . . 4309 1 277 . 1 1 56 56 ILE CA C 13 57.7 . . 1 . . . . . . . . 4309 1 278 . 1 1 56 56 ILE N N 15 122.2 . . 1 . . . . . . . . 4309 1 279 . 1 1 57 57 SER H H 1 7.64 . . 1 . . . . . . . . 4309 1 280 . 1 1 57 57 SER HA H 1 3.49 . . 1 . . . . . . . . 4309 1 281 . 1 1 57 57 SER C C 13 174.3 . . 1 . . . . . . . . 4309 1 282 . 1 1 57 57 SER CA C 13 55.1 . . 1 . . . . . . . . 4309 1 283 . 1 1 57 57 SER N N 15 118.7 . . 1 . . . . . . . . 4309 1 284 . 1 1 58 58 SER H H 1 8.65 . . 1 . . . . . . . . 4309 1 285 . 1 1 58 58 SER HA H 1 3.18 . . 1 . . . . . . . . 4309 1 286 . 1 1 58 58 SER C C 13 177.4 . . 1 . . . . . . . . 4309 1 287 . 1 1 58 58 SER CA C 13 57.6 . . 1 . . . . . . . . 4309 1 288 . 1 1 58 58 SER N N 15 117.8 . . 1 . . . . . . . . 4309 1 289 . 1 1 59 59 THR H H 1 8.43 . . 1 . . . . . . . . 4309 1 290 . 1 1 59 59 THR HA H 1 4.18 . . 1 . . . . . . . . 4309 1 291 . 1 1 59 59 THR C C 13 175.0 . . 1 . . . . . . . . 4309 1 292 . 1 1 59 59 THR CA C 13 63.8 . . 1 . . . . . . . . 4309 1 293 . 1 1 59 59 THR N N 15 125.6 . . 1 . . . . . . . . 4309 1 294 . 1 1 60 60 ALA H H 1 7.90 . . 1 . . . . . . . . 4309 1 295 . 1 1 60 60 ALA HA H 1 4.17 . . 1 . . . . . . . . 4309 1 296 . 1 1 60 60 ALA C C 13 178.3 . . 1 . . . . . . . . 4309 1 297 . 1 1 60 60 ALA CA C 13 54.0 . . 1 . . . . . . . . 4309 1 298 . 1 1 60 60 ALA N N 15 126.4 . . 1 . . . . . . . . 4309 1 299 . 1 1 61 61 ASN H H 1 7.52 . . 1 . . . . . . . . 4309 1 300 . 1 1 61 61 ASN HA H 1 4.94 . . 1 . . . . . . . . 4309 1 301 . 1 1 61 61 ASN C C 13 174.6 . . 1 . . . . . . . . 4309 1 302 . 1 1 61 61 ASN CA C 13 52.0 . . 1 . . . . . . . . 4309 1 303 . 1 1 61 61 ASN N N 15 109.9 . . 1 . . . . . . . . 4309 1 304 . 1 1 62 62 GLN H H 1 7.72 . . 1 . . . . . . . . 4309 1 305 . 1 1 62 62 GLN HA H 1 4.83 . . 1 . . . . . . . . 4309 1 306 . 1 1 62 62 GLN C C 13 175.0 . . 1 . . . . . . . . 4309 1 307 . 1 1 62 62 GLN CA C 13 58.1 . . 1 . . . . . . . . 4309 1 308 . 1 1 62 62 GLN N N 15 114.4 . . 1 . . . . . . . . 4309 1 309 . 1 1 63 63 VAL H H 1 9.05 . . 1 . . . . . . . . 4309 1 310 . 1 1 63 63 VAL HA H 1 4.33 . . 1 . . . . . . . . 4309 1 311 . 1 1 63 63 VAL C C 13 175.8 . . 1 . . . . . . . . 4309 1 312 . 1 1 63 63 VAL CA C 13 64.5 . . 1 . . . . . . . . 4309 1 313 . 1 1 63 63 VAL N N 15 118.9 . . 1 . . . . . . . . 4309 1 314 . 1 1 64 64 THR H H 1 8.81 . . 1 . . . . . . . . 4309 1 315 . 1 1 64 64 THR HA H 1 4.89 . . 1 . . . . . . . . 4309 1 316 . 1 1 64 64 THR C C 13 174.0 . . 1 . . . . . . . . 4309 1 317 . 1 1 64 64 THR CA C 13 66.5 . . 1 . . . . . . . . 4309 1 318 . 1 1 64 64 THR N N 15 126.4 . . 1 . . . . . . . . 4309 1 319 . 1 1 65 65 ALA H H 1 9.60 . . 1 . . . . . . . . 4309 1 320 . 1 1 65 65 ALA HA H 1 5.81 . . 1 . . . . . . . . 4309 1 321 . 1 1 65 65 ALA C C 13 177.0 . . 1 . . . . . . . . 4309 1 322 . 1 1 65 65 ALA CA C 13 52.2 . . 1 . . . . . . . . 4309 1 323 . 1 1 65 65 ALA N N 15 129.5 . . 1 . . . . . . . . 4309 1 324 . 1 1 66 66 PHE H H 1 8.37 . . 1 . . . . . . . . 4309 1 325 . 1 1 66 66 PHE HA H 1 5.42 . . 1 . . . . . . . . 4309 1 326 . 1 1 66 66 PHE C C 13 172.6 . . 1 . . . . . . . . 4309 1 327 . 1 1 66 66 PHE CA C 13 56.8 . . 1 . . . . . . . . 4309 1 328 . 1 1 66 66 PHE N N 15 114.9 . . 1 . . . . . . . . 4309 1 329 . 1 1 67 67 VAL H H 1 8.44 . . 1 . . . . . . . . 4309 1 330 . 1 1 67 67 VAL HA H 1 4.08 . . 1 . . . . . . . . 4309 1 331 . 1 1 67 67 VAL C C 13 175.5 . . 1 . . . . . . . . 4309 1 332 . 1 1 67 67 VAL CA C 13 61.4 . . 1 . . . . . . . . 4309 1 333 . 1 1 67 67 VAL N N 15 118.0 . . 1 . . . . . . . . 4309 1 334 . 1 1 68 68 ALA H H 1 9.50 . . 1 . . . . . . . . 4309 1 335 . 1 1 68 68 ALA HA H 1 5.31 . . 1 . . . . . . . . 4309 1 336 . 1 1 68 68 ALA C C 13 175.3 . . 1 . . . . . . . . 4309 1 337 . 1 1 68 68 ALA CA C 13 50.0 . . 1 . . . . . . . . 4309 1 338 . 1 1 68 68 ALA N N 15 136.4 . . 1 . . . . . . . . 4309 1 339 . 1 1 69 69 GLY H H 1 9.14 . . 1 . . . . . . . . 4309 1 340 . 1 1 69 69 GLY HA2 H 1 3.70 . . 2 . . . . . . . . 4309 1 341 . 1 1 69 69 GLY HA3 H 1 5.35 . . 2 . . . . . . . . 4309 1 342 . 1 1 69 69 GLY C C 13 173.5 . . 1 . . . . . . . . 4309 1 343 . 1 1 69 69 GLY CA C 13 43.5 . . 1 . . . . . . . . 4309 1 344 . 1 1 69 69 GLY N N 15 112.0 . . 1 . . . . . . . . 4309 1 345 . 1 1 70 70 GLY H H 1 8.63 . . 1 . . . . . . . . 4309 1 346 . 1 1 70 70 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 4309 1 347 . 1 1 70 70 GLY HA3 H 1 4.79 . . 2 . . . . . . . . 4309 1 348 . 1 1 70 70 GLY C C 13 172.0 . . 1 . . . . . . . . 4309 1 349 . 1 1 70 70 GLY CA C 13 46.4 . . 1 . . . . . . . . 4309 1 350 . 1 1 70 70 GLY N N 15 113.7 . . 1 . . . . . . . . 4309 1 351 . 1 1 71 71 ASN H H 1 9.39 . . 1 . . . . . . . . 4309 1 352 . 1 1 71 71 ASN HA H 1 4.97 . . 1 . . . . . . . . 4309 1 353 . 1 1 71 71 ASN C C 13 174.1 . . 1 . . . . . . . . 4309 1 354 . 1 1 71 71 ASN CA C 13 53.8 . . 1 . . . . . . . . 4309 1 355 . 1 1 71 71 ASN N N 15 127.6 . . 1 . . . . . . . . 4309 1 356 . 1 1 72 72 LEU H H 1 8.73 . . 1 . . . . . . . . 4309 1 357 . 1 1 72 72 LEU HA H 1 5.05 . . 1 . . . . . . . . 4309 1 358 . 1 1 72 72 LEU C C 13 177.8 . . 1 . . . . . . . . 4309 1 359 . 1 1 72 72 LEU CA C 13 54.2 . . 1 . . . . . . . . 4309 1 360 . 1 1 72 72 LEU N N 15 128.5 . . 1 . . . . . . . . 4309 1 361 . 1 1 73 73 THR H H 1 8.40 . . 1 . . . . . . . . 4309 1 362 . 1 1 73 73 THR HA H 1 4.36 . . 1 . . . . . . . . 4309 1 363 . 1 1 73 73 THR C C 13 170.5 . . 1 . . . . . . . . 4309 1 364 . 1 1 73 73 THR CA C 13 62.4 . . 1 . . . . . . . . 4309 1 365 . 1 1 73 73 THR N N 15 118.5 . . 1 . . . . . . . . 4309 1 366 . 1 1 74 74 TYR H H 1 8.83 . . 1 . . . . . . . . 4309 1 367 . 1 1 74 74 TYR HA H 1 5.98 . . 1 . . . . . . . . 4309 1 368 . 1 1 74 74 TYR C C 13 176.8 . . 1 . . . . . . . . 4309 1 369 . 1 1 74 74 TYR CA C 13 54.4 . . 1 . . . . . . . . 4309 1 370 . 1 1 74 74 TYR N N 15 128.3 . . 1 . . . . . . . . 4309 1 371 . 1 1 75 75 THR H H 1 9.08 . . 1 . . . . . . . . 4309 1 372 . 1 1 75 75 THR HA H 1 4.02 . . 1 . . . . . . . . 4309 1 373 . 1 1 75 75 THR C C 13 175.7 . . 1 . . . . . . . . 4309 1 374 . 1 1 75 75 THR CA C 13 63.0 . . 1 . . . . . . . . 4309 1 375 . 1 1 75 75 THR N N 15 117.4 . . 1 . . . . . . . . 4309 1 376 . 1 1 76 76 LEU H H 1 5.99 . . 1 . . . . . . . . 4309 1 377 . 1 1 76 76 LEU HA H 1 3.10 . . 1 . . . . . . . . 4309 1 378 . 1 1 76 76 LEU CA C 13 57.5 . . 1 . . . . . . . . 4309 1 379 . 1 1 76 76 LEU N N 15 120.8 . . 1 . . . . . . . . 4309 1 380 . 1 1 77 77 PHE C C 13 176.7 . . 1 . . . . . . . . 4309 1 381 . 1 1 77 77 PHE CA C 13 57.8 . . 1 . . . . . . . . 4309 1 382 . 1 1 78 78 ASN H H 1 8.12 . . 1 . . . . . . . . 4309 1 383 . 1 1 78 78 ASN HA H 1 4.48 . . 1 . . . . . . . . 4309 1 384 . 1 1 78 78 ASN C C 13 173.2 . . 1 . . . . . . . . 4309 1 385 . 1 1 78 78 ASN CA C 13 54.4 . . 1 . . . . . . . . 4309 1 386 . 1 1 78 78 ASN N N 15 122.4 . . 1 . . . . . . . . 4309 1 387 . 1 1 79 79 GLU H H 1 8.16 . . 1 . . . . . . . . 4309 1 388 . 1 1 79 79 GLU HA H 1 4.27 . . 1 . . . . . . . . 4309 1 389 . 1 1 79 79 GLU CA C 13 54.0 . . 1 . . . . . . . . 4309 1 390 . 1 1 79 79 GLU N N 15 120.3 . . 1 . . . . . . . . 4309 1 391 . 1 1 80 80 PRO C C 13 177.4 . . 1 . . . . . . . . 4309 1 392 . 1 1 80 80 PRO CA C 13 61.8 . . 1 . . . . . . . . 4309 1 393 . 1 1 81 81 ALA H H 1 8.49 . . 1 . . . . . . . . 4309 1 394 . 1 1 81 81 ALA HA H 1 3.99 . . 1 . . . . . . . . 4309 1 395 . 1 1 81 81 ALA C C 13 177.6 . . 1 . . . . . . . . 4309 1 396 . 1 1 81 81 ALA CA C 13 53.1 . . 1 . . . . . . . . 4309 1 397 . 1 1 81 81 ALA N N 15 134.3 . . 1 . . . . . . . . 4309 1 398 . 1 1 82 82 HIS H H 1 9.15 . . 1 . . . . . . . . 4309 1 399 . 1 1 82 82 HIS HA H 1 3.57 . . 1 . . . . . . . . 4309 1 400 . 1 1 82 82 HIS C C 13 173.9 . . 1 . . . . . . . . 4309 1 401 . 1 1 82 82 HIS CA C 13 57.4 . . 1 . . . . . . . . 4309 1 402 . 1 1 82 82 HIS N N 15 120.3 . . 1 . . . . . . . . 4309 1 403 . 1 1 83 83 THR H H 1 8.23 . . 1 . . . . . . . . 4309 1 404 . 1 1 83 83 THR HA H 1 4.01 . . 1 . . . . . . . . 4309 1 405 . 1 1 83 83 THR C C 13 173.3 . . 1 . . . . . . . . 4309 1 406 . 1 1 83 83 THR CA C 13 62.8 . . 1 . . . . . . . . 4309 1 407 . 1 1 83 83 THR N N 15 117.5 . . 1 . . . . . . . . 4309 1 408 . 1 1 84 84 LEU H H 1 11.10 . . 1 . . . . . . . . 4309 1 409 . 1 1 84 84 LEU HA H 1 5.64 . . 1 . . . . . . . . 4309 1 410 . 1 1 84 84 LEU C C 13 175.2 . . 1 . . . . . . . . 4309 1 411 . 1 1 84 84 LEU CA C 13 53.6 . . 1 . . . . . . . . 4309 1 412 . 1 1 84 84 LEU N N 15 136.0 . . 1 . . . . . . . . 4309 1 413 . 1 1 85 85 TYR H H 1 9.51 . . 1 . . . . . . . . 4309 1 414 . 1 1 85 85 TYR HA H 1 4.86 . . 1 . . . . . . . . 4309 1 415 . 1 1 85 85 TYR C C 13 171.2 . . 1 . . . . . . . . 4309 1 416 . 1 1 85 85 TYR CA C 13 55.8 . . 1 . . . . . . . . 4309 1 417 . 1 1 85 85 TYR N N 15 125.7 . . 1 . . . . . . . . 4309 1 418 . 1 1 86 86 GLY H H 1 7.64 . . 1 . . . . . . . . 4309 1 419 . 1 1 86 86 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 4309 1 420 . 1 1 86 86 GLY HA3 H 1 5.20 . . 2 . . . . . . . . 4309 1 421 . 1 1 86 86 GLY C C 13 171.5 . . 1 . . . . . . . . 4309 1 422 . 1 1 86 86 GLY CA C 13 43.9 . . 1 . . . . . . . . 4309 1 423 . 1 1 86 86 GLY N N 15 107.5 . . 1 . . . . . . . . 4309 1 424 . 1 1 87 87 GLN H H 1 8.74 . . 1 . . . . . . . . 4309 1 425 . 1 1 87 87 GLN HA H 1 4.98 . . 1 . . . . . . . . 4309 1 426 . 1 1 87 87 GLN C C 13 173.7 . . 1 . . . . . . . . 4309 1 427 . 1 1 87 87 GLN CA C 13 54.7 . . 1 . . . . . . . . 4309 1 428 . 1 1 87 87 GLN N N 15 124.3 . . 1 . . . . . . . . 4309 1 429 . 1 1 88 88 LEU H H 1 9.29 . . 1 . . . . . . . . 4309 1 430 . 1 1 88 88 LEU HA H 1 4.67 . . 1 . . . . . . . . 4309 1 431 . 1 1 88 88 LEU C C 13 172.7 . . 1 . . . . . . . . 4309 1 432 . 1 1 88 88 LEU CA C 13 53.9 . . 1 . . . . . . . . 4309 1 433 . 1 1 88 88 LEU N N 15 129.1 . . 1 . . . . . . . . 4309 1 434 . 1 1 89 89 ASP H H 1 9.40 . . 1 . . . . . . . . 4309 1 435 . 1 1 89 89 ASP HA H 1 5.17 . . 1 . . . . . . . . 4309 1 436 . 1 1 89 89 ASP C C 13 175.9 . . 1 . . . . . . . . 4309 1 437 . 1 1 89 89 ASP CA C 13 55.1 . . 1 . . . . . . . . 4309 1 438 . 1 1 89 89 ASP N N 15 126.8 . . 1 . . . . . . . . 4309 1 439 . 1 1 90 90 SER H H 1 8.57 . . 1 . . . . . . . . 4309 1 440 . 1 1 90 90 SER HA H 1 5.57 . . 1 . . . . . . . . 4309 1 441 . 1 1 90 90 SER C C 13 171.5 . . 1 . . . . . . . . 4309 1 442 . 1 1 90 90 SER CA C 13 56.3 . . 1 . . . . . . . . 4309 1 443 . 1 1 90 90 SER N N 15 113.3 . . 1 . . . . . . . . 4309 1 444 . 1 1 91 91 LEU H H 1 8.75 . . 1 . . . . . . . . 4309 1 445 . 1 1 91 91 LEU HA H 1 5.17 . . 1 . . . . . . . . 4309 1 446 . 1 1 91 91 LEU C C 13 174.7 . . 1 . . . . . . . . 4309 1 447 . 1 1 91 91 LEU CA C 13 53.9 . . 1 . . . . . . . . 4309 1 448 . 1 1 91 91 LEU N N 15 123.4 . . 1 . . . . . . . . 4309 1 449 . 1 1 92 92 SER H H 1 8.29 . . 1 . . . . . . . . 4309 1 450 . 1 1 92 92 SER HA H 1 5.05 . . 1 . . . . . . . . 4309 1 451 . 1 1 92 92 SER C C 13 171.9 . . 1 . . . . . . . . 4309 1 452 . 1 1 92 92 SER CA C 13 56.9 . . 1 . . . . . . . . 4309 1 453 . 1 1 92 92 SER N N 15 119.0 . . 1 . . . . . . . . 4309 1 454 . 1 1 93 93 PHE H H 1 8.92 . . 1 . . . . . . . . 4309 1 455 . 1 1 93 93 PHE HA H 1 5.07 . . 1 . . . . . . . . 4309 1 456 . 1 1 93 93 PHE C C 13 176.2 . . 1 . . . . . . . . 4309 1 457 . 1 1 93 93 PHE CA C 13 57.8 . . 1 . . . . . . . . 4309 1 458 . 1 1 93 93 PHE N N 15 122.6 . . 1 . . . . . . . . 4309 1 459 . 1 1 94 94 GLY H H 1 8.29 . . 1 . . . . . . . . 4309 1 460 . 1 1 94 94 GLY HA2 H 1 4.22 . . 2 . . . . . . . . 4309 1 461 . 1 1 94 94 GLY HA3 H 1 4.77 . . 2 . . . . . . . . 4309 1 462 . 1 1 94 94 GLY C C 13 176.7 . . 1 . . . . . . . . 4309 1 463 . 1 1 94 94 GLY CA C 13 46.4 . . 1 . . . . . . . . 4309 1 464 . 1 1 94 94 GLY N N 15 110.0 . . 1 . . . . . . . . 4309 1 465 . 1 1 95 95 ASP H H 1 7.95 . . 1 . . . . . . . . 4309 1 466 . 1 1 95 95 ASP HA H 1 5.44 . . 1 . . . . . . . . 4309 1 467 . 1 1 95 95 ASP C C 13 175.4 . . 1 . . . . . . . . 4309 1 468 . 1 1 95 95 ASP CA C 13 52.9 . . 1 . . . . . . . . 4309 1 469 . 1 1 95 95 ASP N N 15 123.2 . . 1 . . . . . . . . 4309 1 470 . 1 1 96 96 GLY H H 1 9.02 . . 1 . . . . . . . . 4309 1 471 . 1 1 96 96 GLY HA2 H 1 3.70 . . 2 . . . . . . . . 4309 1 472 . 1 1 96 96 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 4309 1 473 . 1 1 96 96 GLY C C 13 172.1 . . 1 . . . . . . . . 4309 1 474 . 1 1 96 96 GLY CA C 13 46.0 . . 1 . . . . . . . . 4309 1 475 . 1 1 96 96 GLY N N 15 111.95 . . 1 . . . . . . . . 4309 1 476 . 1 1 97 97 LEU H H 1 8.57 . . 1 . . . . . . . . 4309 1 477 . 1 1 97 97 LEU HA H 1 4.95 . . 1 . . . . . . . . 4309 1 478 . 1 1 97 97 LEU C C 13 176.3 . . 1 . . . . . . . . 4309 1 479 . 1 1 97 97 LEU CA C 13 54.1 . . 1 . . . . . . . . 4309 1 480 . 1 1 97 97 LEU N N 15 126.7 . . 1 . . . . . . . . 4309 1 481 . 1 1 98 98 SER H H 1 8.94 . . 1 . . . . . . . . 4309 1 482 . 1 1 98 98 SER HA H 1 4.79 . . 1 . . . . . . . . 4309 1 483 . 1 1 98 98 SER C C 13 173.5 . . 1 . . . . . . . . 4309 1 484 . 1 1 98 98 SER CA C 13 56.5 . . 1 . . . . . . . . 4309 1 485 . 1 1 98 98 SER N N 15 121.6 . . 1 . . . . . . . . 4309 1 486 . 1 1 99 99 GLY H H 1 8.38 . . 1 . . . . . . . . 4309 1 487 . 1 1 99 99 GLY HA2 H 1 3.50 . . 2 . . . . . . . . 4309 1 488 . 1 1 99 99 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 4309 1 489 . 1 1 99 99 GLY C C 13 173.3 . . 1 . . . . . . . . 4309 1 490 . 1 1 99 99 GLY CA C 13 44.8 . . 1 . . . . . . . . 4309 1 491 . 1 1 99 99 GLY N N 15 110.7 . . 1 . . . . . . . . 4309 1 492 . 1 1 100 100 GLY H H 1 6.93 . . 1 . . . . . . . . 4309 1 493 . 1 1 100 100 GLY HA2 H 1 2.35 . . 1 . . . . . . . . 4309 1 494 . 1 1 100 100 GLY HA3 H 1 3.18 . . 1 . . . . . . . . 4309 1 495 . 1 1 100 100 GLY C C 13 173.9 . . 1 . . . . . . . . 4309 1 496 . 1 1 100 100 GLY CA C 13 44.1 . . 1 . . . . . . . . 4309 1 497 . 1 1 100 100 GLY N N 15 110.0 . . 1 . . . . . . . . 4309 1 498 . 1 1 101 101 ASP H H 1 8.33 . . 1 . . . . . . . . 4309 1 499 . 1 1 101 101 ASP HA H 1 4.75 . . 1 . . . . . . . . 4309 1 500 . 1 1 101 101 ASP C C 13 175.7 . . 1 . . . . . . . . 4309 1 501 . 1 1 101 101 ASP CA C 13 55.3 . . 1 . . . . . . . . 4309 1 502 . 1 1 101 101 ASP N N 15 119.4 . . 1 . . . . . . . . 4309 1 503 . 1 1 102 102 THR H H 1 8.32 . . 1 . . . . . . . . 4309 1 504 . 1 1 102 102 THR HA H 1 4.38 . . 1 . . . . . . . . 4309 1 505 . 1 1 102 102 THR C C 13 173.7 . . 1 . . . . . . . . 4309 1 506 . 1 1 102 102 THR CA C 13 61.3 . . 1 . . . . . . . . 4309 1 507 . 1 1 102 102 THR N N 15 111.5 . . 1 . . . . . . . . 4309 1 508 . 1 1 103 103 SER H H 1 7.61 . . 1 . . . . . . . . 4309 1 509 . 1 1 103 103 SER HA H 1 4.73 . . 1 . . . . . . . . 4309 1 510 . 1 1 103 103 SER CA C 13 55.9 . . 1 . . . . . . . . 4309 1 511 . 1 1 103 103 SER N N 15 119.7 . . 1 . . . . . . . . 4309 1 512 . 1 1 104 104 PRO C C 13 176.9 . . 1 . . . . . . . . 4309 1 513 . 1 1 104 104 PRO CA C 13 61.9 . . 1 . . . . . . . . 4309 1 514 . 1 1 105 105 TYR H H 1 9.78 . . 1 . . . . . . . . 4309 1 515 . 1 1 105 105 TYR HA H 1 4.91 . . 1 . . . . . . . . 4309 1 516 . 1 1 105 105 TYR C C 13 177.8 . . 1 . . . . . . . . 4309 1 517 . 1 1 105 105 TYR CA C 13 59.3 . . 1 . . . . . . . . 4309 1 518 . 1 1 105 105 TYR N N 15 122.5 . . 1 . . . . . . . . 4309 1 519 . 1 1 106 106 SER H H 1 8.73 . . 1 . . . . . . . . 4309 1 520 . 1 1 106 106 SER HA H 1 4.33 . . 1 . . . . . . . . 4309 1 521 . 1 1 106 106 SER C C 13 171.8 . . 1 . . . . . . . . 4309 1 522 . 1 1 106 106 SER CA C 13 56.8 . . 1 . . . . . . . . 4309 1 523 . 1 1 106 106 SER N N 15 116.1 . . 1 . . . . . . . . 4309 1 524 . 1 1 107 107 ILE H H 1 8.10 . . 1 . . . . . . . . 4309 1 525 . 1 1 107 107 ILE HA H 1 4.70 . . 1 . . . . . . . . 4309 1 526 . 1 1 107 107 ILE C C 13 176.9 . . 1 . . . . . . . . 4309 1 527 . 1 1 107 107 ILE CA C 13 57.6 . . 1 . . . . . . . . 4309 1 528 . 1 1 107 107 ILE N N 15 123.5 . . 1 . . . . . . . . 4309 1 529 . 1 1 108 108 GLN H H 1 8.82 . . 1 . . . . . . . . 4309 1 530 . 1 1 108 108 GLN HA H 1 3.93 . . 1 . . . . . . . . 4309 1 531 . 1 1 108 108 GLN C C 13 177.2 . . 1 . . . . . . . . 4309 1 532 . 1 1 108 108 GLN CA C 13 59.8 . . 1 . . . . . . . . 4309 1 533 . 1 1 108 108 GLN N N 15 130.3 . . 1 . . . . . . . . 4309 1 534 . 1 1 109 109 VAL H H 1 8.42 . . 1 . . . . . . . . 4309 1 535 . 1 1 109 109 VAL HA H 1 4.44 . . 1 . . . . . . . . 4309 1 536 . 1 1 109 109 VAL CA C 13 59.2 . . 1 . . . . . . . . 4309 1 537 . 1 1 109 109 VAL N N 15 120.7 . . 1 . . . . . . . . 4309 1 538 . 1 1 110 110 PRO HA H 1 4.21 . . 1 . . . . . . . . 4309 1 539 . 1 1 110 110 PRO C C 13 176.10 . . 1 . . . . . . . . 4309 1 540 . 1 1 110 110 PRO CA C 13 63.3 . . 1 . . . . . . . . 4309 1 541 . 1 1 111 111 ASP H H 1 8.89 . . 1 . . . . . . . . 4309 1 542 . 1 1 111 111 ASP HA H 1 4.94 . . 1 . . . . . . . . 4309 1 543 . 1 1 111 111 ASP CA C 13 55.6 . . 1 . . . . . . . . 4309 1 544 . 1 1 111 111 ASP N N 15 125.0 . . 1 . . . . . . . . 4309 1 545 . 1 1 112 112 VAL H H 1 6.71 . . 1 . . . . . . . . 4309 1 546 . 1 1 112 112 VAL HA H 1 4.51 . . 1 . . . . . . . . 4309 1 547 . 1 1 112 112 VAL C C 13 173.9 . . 1 . . . . . . . . 4309 1 548 . 1 1 112 112 VAL CA C 13 59.6 . . 1 . . . . . . . . 4309 1 549 . 1 1 112 112 VAL N N 15 114.6 . . 1 . . . . . . . . 4309 1 550 . 1 1 113 113 SER H H 1 8.92 . . 1 . . . . . . . . 4309 1 551 . 1 1 113 113 SER HA H 1 5.26 . . 1 . . . . . . . . 4309 1 552 . 1 1 113 113 SER C C 13 172.2 . . 1 . . . . . . . . 4309 1 553 . 1 1 113 113 SER CA C 13 56.9 . . 1 . . . . . . . . 4309 1 554 . 1 1 113 113 SER N N 15 119.4 . . 1 . . . . . . . . 4309 1 555 . 1 1 114 114 PHE H H 1 9.34 . . 1 . . . . . . . . 4309 1 556 . 1 1 114 114 PHE HA H 1 5.33 . . 1 . . . . . . . . 4309 1 557 . 1 1 114 114 PHE C C 13 175.2 . . 1 . . . . . . . . 4309 1 558 . 1 1 114 114 PHE CA C 13 55.8 . . 1 . . . . . . . . 4309 1 559 . 1 1 114 114 PHE N N 15 122.4 . . 1 . . . . . . . . 4309 1 560 . 1 1 115 115 GLY H H 1 8.89 . . 1 . . . . . . . . 4309 1 561 . 1 1 115 115 GLY HA2 H 1 3.52 . . 2 . . . . . . . . 4309 1 562 . 1 1 115 115 GLY HA3 H 1 4.90 . . 2 . . . . . . . . 4309 1 563 . 1 1 115 115 GLY C C 13 173.1 . . 1 . . . . . . . . 4309 1 564 . 1 1 115 115 GLY CA C 13 43.5 . . 1 . . . . . . . . 4309 1 565 . 1 1 115 115 GLY N N 15 112.9 . . 1 . . . . . . . . 4309 1 566 . 1 1 116 116 GLY H H 1 7.90 . . 1 . . . . . . . . 4309 1 567 . 1 1 116 116 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 4309 1 568 . 1 1 116 116 GLY HA3 H 1 4.01 . . 2 . . . . . . . . 4309 1 569 . 1 1 116 116 GLY C C 13 177.0 . . 1 . . . . . . . . 4309 1 570 . 1 1 116 116 GLY CA C 13 47.2 . . 1 . . . . . . . . 4309 1 571 . 1 1 116 116 GLY N N 15 109.5 . . 1 . . . . . . . . 4309 1 572 . 1 1 117 117 LEU H H 1 9.10 . . 1 . . . . . . . . 4309 1 573 . 1 1 117 117 LEU HA H 1 3.91 . . 1 . . . . . . . . 4309 1 574 . 1 1 117 117 LEU C C 13 175.3 . . 1 . . . . . . . . 4309 1 575 . 1 1 117 117 LEU CA C 13 57.5 . . 1 . . . . . . . . 4309 1 576 . 1 1 117 117 LEU N N 15 119.3 . . 1 . . . . . . . . 4309 1 577 . 1 1 118 118 ASN H H 1 8.76 . . 1 . . . . . . . . 4309 1 578 . 1 1 118 118 ASN HA H 1 4.28 . . 1 . . . . . . . . 4309 1 579 . 1 1 118 118 ASN C C 13 173.4 . . 1 . . . . . . . . 4309 1 580 . 1 1 118 118 ASN CA C 13 53.5 . . 1 . . . . . . . . 4309 1 581 . 1 1 118 118 ASN N N 15 114.4 . . 1 . . . . . . . . 4309 1 582 . 1 1 119 119 LEU H H 1 7.64 . . 1 . . . . . . . . 4309 1 583 . 1 1 119 119 LEU HA H 1 4.78 . . 1 . . . . . . . . 4309 1 584 . 1 1 119 119 LEU C C 13 178.5 . . 1 . . . . . . . . 4309 1 585 . 1 1 119 119 LEU CA C 13 53.4 . . 1 . . . . . . . . 4309 1 586 . 1 1 119 119 LEU N N 15 118.7 . . 1 . . . . . . . . 4309 1 587 . 1 1 120 120 SER H H 1 8.62 . . 1 . . . . . . . . 4309 1 588 . 1 1 120 120 SER HA H 1 5.60 . . 1 . . . . . . . . 4309 1 589 . 1 1 120 120 SER C C 13 173.1 . . 1 . . . . . . . . 4309 1 590 . 1 1 120 120 SER CA C 13 56.9 . . 1 . . . . . . . . 4309 1 591 . 1 1 120 120 SER N N 15 118.3 . . 1 . . . . . . . . 4309 1 592 . 1 1 121 121 SER H H 1 9.21 . . 1 . . . . . . . . 4309 1 593 . 1 1 121 121 SER HA H 1 5.03 . . 1 . . . . . . . . 4309 1 594 . 1 1 121 121 SER C C 13 173.8 . . 1 . . . . . . . . 4309 1 595 . 1 1 121 121 SER CA C 13 57.3 . . 1 . . . . . . . . 4309 1 596 . 1 1 121 121 SER N N 15 117.6 . . 1 . . . . . . . . 4309 1 597 . 1 1 122 122 LEU H H 1 8.53 . . 1 . . . . . . . . 4309 1 598 . 1 1 122 122 LEU HA H 1 4.69 . . 1 . . . . . . . . 4309 1 599 . 1 1 122 122 LEU C C 13 178.6 . . 1 . . . . . . . . 4309 1 600 . 1 1 122 122 LEU CA C 13 53.1 . . 1 . . . . . . . . 4309 1 601 . 1 1 122 122 LEU N N 15 122.5 . . 1 . . . . . . . . 4309 1 602 . 1 1 123 123 GLN H H 1 8.75 . . 1 . . . . . . . . 4309 1 603 . 1 1 123 123 GLN HA H 1 4.67 . . 1 . . . . . . . . 4309 1 604 . 1 1 123 123 GLN C C 13 177.4 . . 1 . . . . . . . . 4309 1 605 . 1 1 123 123 GLN CA C 13 60.1 . . 1 . . . . . . . . 4309 1 606 . 1 1 123 123 GLN N N 15 129.3 . . 1 . . . . . . . . 4309 1 607 . 1 1 124 124 ALA H H 1 8.02 . . 1 . . . . . . . . 4309 1 608 . 1 1 124 124 ALA HA H 1 3.85 . . 1 . . . . . . . . 4309 1 609 . 1 1 124 124 ALA C C 13 178.8 . . 1 . . . . . . . . 4309 1 610 . 1 1 124 124 ALA CA C 13 53.9 . . 1 . . . . . . . . 4309 1 611 . 1 1 124 124 ALA N N 15 116.5 . . 1 . . . . . . . . 4309 1 612 . 1 1 125 125 GLN H H 1 7.27 . . 1 . . . . . . . . 4309 1 613 . 1 1 125 125 GLN HA H 1 4.17 . . 1 . . . . . . . . 4309 1 614 . 1 1 125 125 GLN C C 13 177.70 . . 1 . . . . . . . . 4309 1 615 . 1 1 125 125 GLN CA C 13 56.6 . . 1 . . . . . . . . 4309 1 616 . 1 1 125 125 GLN N N 15 115.4 . . 1 . . . . . . . . 4309 1 617 . 1 1 126 126 GLY H H 1 8.10 . . 1 . . . . . . . . 4309 1 618 . 1 1 126 126 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 4309 1 619 . 1 1 126 126 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4309 1 620 . 1 1 126 126 GLY CA C 13 46.4 . . 1 . . . . . . . . 4309 1 621 . 1 1 126 126 GLY N N 15 107.1 . . 1 . . . . . . . . 4309 1 622 . 1 1 127 127 HIS H H 1 9.31 . . 1 . . . . . . . . 4309 1 623 . 1 1 127 127 HIS HA H 1 4.67 . . 1 . . . . . . . . 4309 1 624 . 1 1 127 127 HIS C C 13 173.9 . . 1 . . . . . . . . 4309 1 625 . 1 1 127 127 HIS CA C 13 54.6 . . 1 . . . . . . . . 4309 1 626 . 1 1 127 127 HIS N N 15 123.8 . . 1 . . . . . . . . 4309 1 627 . 1 1 128 128 ASP H H 1 7.63 . . 1 . . . . . . . . 4309 1 628 . 1 1 128 128 ASP HA H 1 4.75 . . 1 . . . . . . . . 4309 1 629 . 1 1 128 128 ASP CA C 13 45.7 . . 1 . . . . . . . . 4309 1 630 . 1 1 128 128 ASP N N 15 116.9 . . 1 . . . . . . . . 4309 1 631 . 1 1 129 129 GLY H H 1 7.60 . . 1 . . . . . . . . 4309 1 632 . 1 1 129 129 GLY C C 13 174.5 . . 1 . . . . . . . . 4309 1 633 . 1 1 129 129 GLY CA C 13 45.2 . . 1 . . . . . . . . 4309 1 634 . 1 1 129 129 GLY N N 15 109.4 . . 1 . . . . . . . . 4309 1 635 . 1 1 130 130 VAL H H 1 8.73 . . 1 . . . . . . . . 4309 1 636 . 1 1 130 130 VAL HA H 1 4.70 . . 1 . . . . . . . . 4309 1 637 . 1 1 130 130 VAL C C 13 175.8 . . 1 . . . . . . . . 4309 1 638 . 1 1 130 130 VAL CA C 13 65.6 . . 1 . . . . . . . . 4309 1 639 . 1 1 130 130 VAL N N 15 125.4 . . 1 . . . . . . . . 4309 1 640 . 1 1 131 131 VAL H H 1 7.38 . . 1 . . . . . . . . 4309 1 641 . 1 1 131 131 VAL HA H 1 3.18 . . 1 . . . . . . . . 4309 1 642 . 1 1 131 131 VAL C C 13 176.1 . . 1 . . . . . . . . 4309 1 643 . 1 1 131 131 VAL CA C 13 67.8 . . 1 . . . . . . . . 4309 1 644 . 1 1 131 131 VAL N N 15 122.1 . . 1 . . . . . . . . 4309 1 645 . 1 1 132 132 HIS H H 1 7.88 . . 1 . . . . . . . . 4309 1 646 . 1 1 132 132 HIS HA H 1 3.93 . . 1 . . . . . . . . 4309 1 647 . 1 1 132 132 HIS C C 13 176.4 . . 1 . . . . . . . . 4309 1 648 . 1 1 132 132 HIS CA C 13 62.1 . . 1 . . . . . . . . 4309 1 649 . 1 1 132 132 HIS N N 15 122.0 . . 1 . . . . . . . . 4309 1 650 . 1 1 133 133 GLN H H 1 8.49 . . 1 . . . . . . . . 4309 1 651 . 1 1 133 133 GLN HA H 1 4.14 . . 1 . . . . . . . . 4309 1 652 . 1 1 133 133 GLN C C 13 180.5 . . 1 . . . . . . . . 4309 1 653 . 1 1 133 133 GLN CA C 13 59.8 . . 1 . . . . . . . . 4309 1 654 . 1 1 133 133 GLN N N 15 116.4 . . 1 . . . . . . . . 4309 1 655 . 1 1 134 134 VAL H H 1 8.79 . . 1 . . . . . . . . 4309 1 656 . 1 1 134 134 VAL HA H 1 3.42 . . 1 . . . . . . . . 4309 1 657 . 1 1 134 134 VAL C C 13 177.9 . . 1 . . . . . . . . 4309 1 658 . 1 1 134 134 VAL CA C 13 67.0 . . 1 . . . . . . . . 4309 1 659 . 1 1 134 134 VAL N N 15 119.3 . . 1 . . . . . . . . 4309 1 660 . 1 1 135 135 VAL H H 1 8.33 . . 1 . . . . . . . . 4309 1 661 . 1 1 135 135 VAL HA H 1 3.27 . . 1 . . . . . . . . 4309 1 662 . 1 1 135 135 VAL C C 13 176.9 . . 1 . . . . . . . . 4309 1 663 . 1 1 135 135 VAL CA C 13 67.5 . . 1 . . . . . . . . 4309 1 664 . 1 1 135 135 VAL N N 15 120.4 . . 1 . . . . . . . . 4309 1 665 . 1 1 136 136 TYR H H 1 9.24 . . 1 . . . . . . . . 4309 1 666 . 1 1 136 136 TYR HA H 1 4.17 . . 1 . . . . . . . . 4309 1 667 . 1 1 136 136 TYR C C 13 180.1 . . 1 . . . . . . . . 4309 1 668 . 1 1 136 136 TYR CA C 13 62.2 . . 1 . . . . . . . . 4309 1 669 . 1 1 136 136 TYR N N 15 121.1 . . 1 . . . . . . . . 4309 1 670 . 1 1 137 137 GLY H H 1 7.60 . . 1 . . . . . . . . 4309 1 671 . 1 1 137 137 GLY HA2 H 1 3.90 . . 2 . . . . . . . . 4309 1 672 . 1 1 137 137 GLY HA3 H 1 4.70 . . 2 . . . . . . . . 4309 1 673 . 1 1 137 137 GLY C C 13 176.8 . . 1 . . . . . . . . 4309 1 674 . 1 1 137 137 GLY CA C 13 48.0 . . 1 . . . . . . . . 4309 1 675 . 1 1 137 137 GLY N N 15 109.4 . . 1 . . . . . . . . 4309 1 676 . 1 1 138 138 LEU H H 1 7.74 . . 1 . . . . . . . . 4309 1 677 . 1 1 138 138 LEU HA H 1 3.61 . . 1 . . . . . . . . 4309 1 678 . 1 1 138 138 LEU C C 13 179.3 . . 1 . . . . . . . . 4309 1 679 . 1 1 138 138 LEU CA C 13 58.6 . . 1 . . . . . . . . 4309 1 680 . 1 1 138 138 LEU N N 15 125.5 . . 1 . . . . . . . . 4309 1 681 . 1 1 139 139 MET H H 1 8.05 . . 1 . . . . . . . . 4309 1 682 . 1 1 139 139 MET HA H 1 4.11 . . 1 . . . . . . . . 4309 1 683 . 1 1 139 139 MET CA C 13 58.4 . . 1 . . . . . . . . 4309 1 684 . 1 1 139 139 MET N N 15 116.9 . . 1 . . . . . . . . 4309 1 685 . 1 1 140 140 SER H H 1 7.73 . . 1 . . . . . . . . 4309 1 686 . 1 1 140 140 SER C C 13 180.9 . . 1 . . . . . . . . 4309 1 687 . 1 1 140 140 SER CA C 13 59.4 . . 1 . . . . . . . . 4309 1 688 . 1 1 140 140 SER N N 15 114.2 . . 1 . . . . . . . . 4309 1 689 . 1 1 141 141 GLY H H 1 8.12 . . 1 . . . . . . . . 4309 1 690 . 1 1 141 141 GLY HA2 H 1 3.26 . . 1 . . . . . . . . 4309 1 691 . 1 1 141 141 GLY HA3 H 1 3.26 . . 1 . . . . . . . . 4309 1 692 . 1 1 141 141 GLY C C 13 172.0 . . 1 . . . . . . . . 4309 1 693 . 1 1 141 141 GLY CA C 13 46.1 . . 1 . . . . . . . . 4309 1 694 . 1 1 141 141 GLY N N 15 119.1 . . 1 . . . . . . . . 4309 1 695 . 1 1 142 142 ASP H H 1 8.48 . . 1 . . . . . . . . 4309 1 696 . 1 1 142 142 ASP HA H 1 4.91 . . 1 . . . . . . . . 4309 1 697 . 1 1 142 142 ASP C C 13 178.0 . . 1 . . . . . . . . 4309 1 698 . 1 1 142 142 ASP CA C 13 52.7 . . 1 . . . . . . . . 4309 1 699 . 1 1 142 142 ASP N N 15 122.3 . . 1 . . . . . . . . 4309 1 700 . 1 1 143 143 THR H H 1 8.48 . . 1 . . . . . . . . 4309 1 701 . 1 1 143 143 THR HA H 1 4.61 . . 1 . . . . . . . . 4309 1 702 . 1 1 143 143 THR C C 13 176.8 . . 1 . . . . . . . . 4309 1 703 . 1 1 143 143 THR CA C 13 61.8 . . 1 . . . . . . . . 4309 1 704 . 1 1 143 143 THR N N 15 116.4 . . 1 . . . . . . . . 4309 1 705 . 1 1 144 144 GLY H H 1 8.76 . . 1 . . . . . . . . 4309 1 706 . 1 1 144 144 GLY HA2 H 1 3.22 . . 2 . . . . . . . . 4309 1 707 . 1 1 144 144 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 4309 1 708 . 1 1 144 144 GLY C C 13 178.7 . . 1 . . . . . . . . 4309 1 709 . 1 1 144 144 GLY CA C 13 48.5 . . 1 . . . . . . . . 4309 1 710 . 1 1 144 144 GLY N N 15 114.4 . . 1 . . . . . . . . 4309 1 711 . 1 1 145 145 ALA H H 1 8.89 . . 1 . . . . . . . . 4309 1 712 . 1 1 145 145 ALA HA H 1 4.14 . . 1 . . . . . . . . 4309 1 713 . 1 1 145 145 ALA C C 13 180.9 . . 1 . . . . . . . . 4309 1 714 . 1 1 145 145 ALA CA C 13 55.1 . . 1 . . . . . . . . 4309 1 715 . 1 1 145 145 ALA N N 15 126.6 . . 1 . . . . . . . . 4309 1 716 . 1 1 146 146 LEU H H 1 7.99 . . 1 . . . . . . . . 4309 1 717 . 1 1 146 146 LEU HA H 1 3.92 . . 1 . . . . . . . . 4309 1 718 . 1 1 146 146 LEU C C 13 177.4 . . 1 . . . . . . . . 4309 1 719 . 1 1 146 146 LEU CA C 13 57.5 . . 1 . . . . . . . . 4309 1 720 . 1 1 146 146 LEU N N 15 121.1 . . 1 . . . . . . . . 4309 1 721 . 1 1 147 147 GLU H H 1 8.79 . . 1 . . . . . . . . 4309 1 722 . 1 1 147 147 GLU HA H 1 3.57 . . 1 . . . . . . . . 4309 1 723 . 1 1 147 147 GLU C C 13 177.8 . . 1 . . . . . . . . 4309 1 724 . 1 1 147 147 GLU CA C 13 61.9 . . 1 . . . . . . . . 4309 1 725 . 1 1 147 147 GLU N N 15 120.8 . . 1 . . . . . . . . 4309 1 726 . 1 1 148 148 THR H H 1 8.40 . . 1 . . . . . . . . 4309 1 727 . 1 1 148 148 THR HA H 1 4.38 . . 1 . . . . . . . . 4309 1 728 . 1 1 148 148 THR C C 13 177.0 . . 1 . . . . . . . . 4309 1 729 . 1 1 148 148 THR CA C 13 62.0 . . 1 . . . . . . . . 4309 1 730 . 1 1 148 148 THR N N 15 118.5 . . 1 . . . . . . . . 4309 1 731 . 1 1 149 149 ALA H H 1 7.84 . . 1 . . . . . . . . 4309 1 732 . 1 1 149 149 ALA HA H 1 4.11 . . 1 . . . . . . . . 4309 1 733 . 1 1 149 149 ALA C C 13 181.3 . . 1 . . . . . . . . 4309 1 734 . 1 1 149 149 ALA CA C 13 54.8 . . 1 . . . . . . . . 4309 1 735 . 1 1 149 149 ALA N N 15 126.5 . . 1 . . . . . . . . 4309 1 736 . 1 1 150 150 LEU H H 1 9.02 . . 1 . . . . . . . . 4309 1 737 . 1 1 150 150 LEU HA H 1 3.71 . . 1 . . . . . . . . 4309 1 738 . 1 1 150 150 LEU C C 13 178.8 . . 1 . . . . . . . . 4309 1 739 . 1 1 150 150 LEU CA C 13 57.3 . . 1 . . . . . . . . 4309 1 740 . 1 1 150 150 LEU N N 15 119.9 . . 1 . . . . . . . . 4309 1 741 . 1 1 151 151 ASN H H 1 8.68 . . 1 . . . . . . . . 4309 1 742 . 1 1 151 151 ASN HA H 1 4.52 . . 1 . . . . . . . . 4309 1 743 . 1 1 151 151 ASN C C 13 178.8 . . 1 . . . . . . . . 4309 1 744 . 1 1 151 151 ASN CA C 13 58.8 . . 1 . . . . . . . . 4309 1 745 . 1 1 151 151 ASN N N 15 121.5 . . 1 . . . . . . . . 4309 1 746 . 1 1 152 152 GLY H H 1 7.59 . . 1 . . . . . . . . 4309 1 747 . 1 1 152 152 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4309 1 748 . 1 1 152 152 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 4309 1 749 . 1 1 152 152 GLY CA C 13 46.9 . . 1 . . . . . . . . 4309 1 750 . 1 1 152 152 GLY N N 15 108.6 . . 1 . . . . . . . . 4309 1 751 . 1 1 153 153 ILE H H 1 7.20 . . 1 . . . . . . . . 4309 1 752 . 1 1 153 153 ILE HA H 1 3.80 . . 1 . . . . . . . . 4309 1 753 . 1 1 153 153 ILE C C 13 178.5 . . 1 . . . . . . . . 4309 1 754 . 1 1 153 153 ILE CA C 13 53.4 . . 1 . . . . . . . . 4309 1 755 . 1 1 153 153 ILE N N 15 123.8 . . 1 . . . . . . . . 4309 1 756 . 1 1 154 154 LEU H H 1 8.62 . . 1 . . . . . . . . 4309 1 757 . 1 1 154 154 LEU HA H 1 3.83 . . 1 . . . . . . . . 4309 1 758 . 1 1 154 154 LEU C C 13 179.0 . . 1 . . . . . . . . 4309 1 759 . 1 1 154 154 LEU CA C 13 55.5 . . 1 . . . . . . . . 4309 1 760 . 1 1 154 154 LEU N N 15 118.3 . . 1 . . . . . . . . 4309 1 761 . 1 1 155 155 ASP H H 1 7.91 . . 1 . . . . . . . . 4309 1 762 . 1 1 155 155 ASP HA H 1 4.54 . . 1 . . . . . . . . 4309 1 763 . 1 1 155 155 ASP C C 13 179.2 . . 1 . . . . . . . . 4309 1 764 . 1 1 155 155 ASP CA C 13 56.6 . . 1 . . . . . . . . 4309 1 765 . 1 1 155 155 ASP N N 15 123.5 . . 1 . . . . . . . . 4309 1 766 . 1 1 156 156 ASP H H 1 7.44 . . 1 . . . . . . . . 4309 1 767 . 1 1 156 156 ASP HA H 1 4.35 . . 1 . . . . . . . . 4309 1 768 . 1 1 156 156 ASP C C 13 176.5 . . 1 . . . . . . . . 4309 1 769 . 1 1 156 156 ASP CA C 13 56.7 . . 1 . . . . . . . . 4309 1 770 . 1 1 156 156 ASP N N 15 119.3 . . 1 . . . . . . . . 4309 1 771 . 1 1 157 157 TYR H H 1 7.79 . . 1 . . . . . . . . 4309 1 772 . 1 1 157 157 TYR HA H 1 4.57 . . 1 . . . . . . . . 4309 1 773 . 1 1 157 157 TYR C C 13 175.9 . . 1 . . . . . . . . 4309 1 774 . 1 1 157 157 TYR CA C 13 56.9 . . 1 . . . . . . . . 4309 1 775 . 1 1 157 157 TYR N N 15 117.0 . . 1 . . . . . . . . 4309 1 776 . 1 1 158 158 GLY H H 1 8.03 . . 1 . . . . . . . . 4309 1 777 . 1 1 158 158 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 4309 1 778 . 1 1 158 158 GLY HA3 H 1 4.54 . . 2 . . . . . . . . 4309 1 779 . 1 1 158 158 GLY C C 13 174.3 . . 1 . . . . . . . . 4309 1 780 . 1 1 158 158 GLY CA C 13 45.9 . . 1 . . . . . . . . 4309 1 781 . 1 1 158 158 GLY N N 15 110.1 . . 1 . . . . . . . . 4309 1 782 . 1 1 159 159 LEU H H 1 7.34 . . 1 . . . . . . . . 4309 1 783 . 1 1 159 159 LEU HA H 1 4.76 . . 1 . . . . . . . . 4309 1 784 . 1 1 159 159 LEU C C 13 174.5 . . 1 . . . . . . . . 4309 1 785 . 1 1 159 159 LEU CA C 13 52.9 . . 1 . . . . . . . . 4309 1 786 . 1 1 159 159 LEU N N 15 120.1 . . 1 . . . . . . . . 4309 1 787 . 1 1 160 160 SER H H 1 8.51 . . 1 . . . . . . . . 4309 1 788 . 1 1 160 160 SER HA H 1 4.63 . . 1 . . . . . . . . 4309 1 789 . 1 1 160 160 SER C C 13 175.4 . . 1 . . . . . . . . 4309 1 790 . 1 1 160 160 SER CA C 13 58.7 . . 1 . . . . . . . . 4309 1 791 . 1 1 160 160 SER N N 15 115.1 . . 1 . . . . . . . . 4309 1 792 . 1 1 161 161 VAL H H 1 9.31 . . 1 . . . . . . . . 4309 1 793 . 1 1 161 161 VAL HA H 1 4.01 . . 1 . . . . . . . . 4309 1 794 . 1 1 161 161 VAL C C 13 177.2 . . 1 . . . . . . . . 4309 1 795 . 1 1 161 161 VAL CA C 13 64.1 . . 1 . . . . . . . . 4309 1 796 . 1 1 161 161 VAL N N 15 112.6 . . 1 . . . . . . . . 4309 1 797 . 1 1 162 162 ASN H H 1 8.43 . . 1 . . . . . . . . 4309 1 798 . 1 1 162 162 ASN HA H 1 4.80 . . 1 . . . . . . . . 4309 1 799 . 1 1 162 162 ASN C C 13 175.3 . . 1 . . . . . . . . 4309 1 800 . 1 1 162 162 ASN CA C 13 54.2 . . 1 . . . . . . . . 4309 1 801 . 1 1 162 162 ASN N N 15 119.7 . . 1 . . . . . . . . 4309 1 802 . 1 1 163 163 SER H H 1 8.02 . . 1 . . . . . . . . 4309 1 803 . 1 1 163 163 SER HA H 1 4.60 . . 1 . . . . . . . . 4309 1 804 . 1 1 163 163 SER C C 13 172.1 . . 1 . . . . . . . . 4309 1 805 . 1 1 163 163 SER CA C 13 58.9 . . 1 . . . . . . . . 4309 1 806 . 1 1 163 163 SER N N 15 121.8 . . 1 . . . . . . . . 4309 1 807 . 1 1 164 164 THR H H 1 8.44 . . 1 . . . . . . . . 4309 1 808 . 1 1 164 164 THR HA H 1 5.01 . . 1 . . . . . . . . 4309 1 809 . 1 1 164 164 THR CA C 13 59.9 . . 1 . . . . . . . . 4309 1 810 . 1 1 164 164 THR N N 15 113.0 . . 1 . . . . . . . . 4309 1 811 . 1 1 165 165 PHE H H 1 7.86 . . 1 . . . . . . . . 4309 1 812 . 1 1 165 165 PHE HA H 1 4.80 . . 1 . . . . . . . . 4309 1 813 . 1 1 165 165 PHE N N 15 120.1 . . 1 . . . . . . . . 4309 1 814 . 1 1 166 166 ASP H H 1 8.99 . . 1 . . . . . . . . 4309 1 815 . 1 1 166 166 ASP HA H 1 4.71 . . 1 . . . . . . . . 4309 1 816 . 1 1 166 166 ASP C C 13 174.2 . . 1 . . . . . . . . 4309 1 817 . 1 1 166 166 ASP CA C 13 57.254 . . 1 . . . . . . . . 4309 1 818 . 1 1 166 166 ASP N N 15 118.61 . . 1 . . . . . . . . 4309 1 819 . 1 1 167 167 GLN H H 1 7.97 . . 1 . . . . . . . . 4309 1 820 . 1 1 167 167 GLN HA H 1 4.05 . . 1 . . . . . . . . 4309 1 821 . 1 1 167 167 GLN C C 13 177.9 . . 1 . . . . . . . . 4309 1 822 . 1 1 167 167 GLN CA C 13 59.0 . . 1 . . . . . . . . 4309 1 823 . 1 1 167 167 GLN N N 15 122.2 . . 1 . . . . . . . . 4309 1 824 . 1 1 168 168 VAL H H 1 8.70 . . 1 . . . . . . . . 4309 1 825 . 1 1 168 168 VAL HA H 1 5.10 . . 1 . . . . . . . . 4309 1 826 . 1 1 168 168 VAL C C 13 179.1 . . 1 . . . . . . . . 4309 1 827 . 1 1 168 168 VAL CA C 13 65.9 . . 1 . . . . . . . . 4309 1 828 . 1 1 168 168 VAL N N 15 123.5 . . 1 . . . . . . . . 4309 1 829 . 1 1 169 169 ALA H H 1 9.32 . . 1 . . . . . . . . 4309 1 830 . 1 1 169 169 ALA HA H 1 4.00 . . 1 . . . . . . . . 4309 1 831 . 1 1 169 169 ALA C C 13 180.0 . . 1 . . . . . . . . 4309 1 832 . 1 1 169 169 ALA CA C 13 55.3 . . 1 . . . . . . . . 4309 1 833 . 1 1 169 169 ALA N N 15 126.9 . . 1 . . . . . . . . 4309 1 834 . 1 1 170 170 ALA H H 1 7.69 . . 1 . . . . . . . . 4309 1 835 . 1 1 170 170 ALA HA H 1 4.14 . . 1 . . . . . . . . 4309 1 836 . 1 1 170 170 ALA C C 13 179.9 . . 1 . . . . . . . . 4309 1 837 . 1 1 170 170 ALA CA C 13 54.7 . . 1 . . . . . . . . 4309 1 838 . 1 1 170 170 ALA N N 15 120.2 . . 1 . . . . . . . . 4309 1 839 . 1 1 171 171 ALA H H 1 7.61 . . 1 . . . . . . . . 4309 1 840 . 1 1 171 171 ALA HA H 1 4.48 . . 1 . . . . . . . . 4309 1 841 . 1 1 171 171 ALA C C 13 179.1 . . 1 . . . . . . . . 4309 1 842 . 1 1 171 171 ALA CA C 13 54.1 . . 1 . . . . . . . . 4309 1 843 . 1 1 171 171 ALA N N 15 120.0 . . 1 . . . . . . . . 4309 1 844 . 1 1 172 172 THR H H 1 7.80 . . 1 . . . . . . . . 4309 1 845 . 1 1 172 172 THR HA H 1 4.24 . . 1 . . . . . . . . 4309 1 846 . 1 1 172 172 THR C C 13 175.4 . . 1 . . . . . . . . 4309 1 847 . 1 1 172 172 THR CA C 13 62.1 . . 1 . . . . . . . . 4309 1 848 . 1 1 172 172 THR N N 15 106.9 . . 1 . . . . . . . . 4309 1 849 . 1 1 173 173 ALA H H 1 7.45 . . 1 . . . . . . . . 4309 1 850 . 1 1 173 173 ALA HA H 1 4.39 . . 1 . . . . . . . . 4309 1 851 . 1 1 173 173 ALA C C 13 178.1 . . 1 . . . . . . . . 4309 1 852 . 1 1 173 173 ALA CA C 13 53.3 . . 1 . . . . . . . . 4309 1 853 . 1 1 173 173 ALA N N 15 126.9 . . 1 . . . . . . . . 4309 1 854 . 1 1 174 174 VAL H H 1 7.83 . . 1 . . . . . . . . 4309 1 855 . 1 1 174 174 VAL HA H 1 4.13 . . 1 . . . . . . . . 4309 1 856 . 1 1 174 174 VAL C C 13 177.0 . . 1 . . . . . . . . 4309 1 857 . 1 1 174 174 VAL CA C 13 63.0 . . 1 . . . . . . . . 4309 1 858 . 1 1 174 174 VAL N N 15 119.6 . . 1 . . . . . . . . 4309 1 859 . 1 1 175 175 GLY H H 1 8.35 . . 1 . . . . . . . . 4309 1 860 . 1 1 175 175 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 4309 1 861 . 1 1 175 175 GLY HA3 H 1 4.71 . . 2 . . . . . . . . 4309 1 862 . 1 1 175 175 GLY C C 13 176.5 . . 1 . . . . . . . . 4309 1 863 . 1 1 175 175 GLY CA C 13 45.2 . . 1 . . . . . . . . 4309 1 864 . 1 1 175 175 GLY N N 15 112.9 . . 1 . . . . . . . . 4309 1 865 . 1 1 176 176 VAL H H 1 7.95 . . 1 . . . . . . . . 4309 1 866 . 1 1 176 176 VAL HA H 1 4.05 . . 1 . . . . . . . . 4309 1 867 . 1 1 176 176 VAL C C 13 176.0 . . 1 . . . . . . . . 4309 1 868 . 1 1 176 176 VAL CA C 13 62.3 . . 1 . . . . . . . . 4309 1 869 . 1 1 176 176 VAL N N 15 120.6 . . 1 . . . . . . . . 4309 1 870 . 1 1 177 177 GLN H H 1 8.40 . . 1 . . . . . . . . 4309 1 871 . 1 1 177 177 GLN HA H 1 4.32 . . 1 . . . . . . . . 4309 1 872 . 1 1 177 177 GLN C C 13 174.9 . . 1 . . . . . . . . 4309 1 873 . 1 1 177 177 GLN CA C 13 55.6 . . 1 . . . . . . . . 4309 1 874 . 1 1 177 177 GLN N N 15 126.9 . . 1 . . . . . . . . 4309 1 875 . 1 1 178 178 HIS H H 1 8.13 . . 1 . . . . . . . . 4309 1 876 . 1 1 178 178 HIS HA H 1 4.29 . . 1 . . . . . . . . 4309 1 877 . 1 1 178 178 HIS CA C 13 56.7 . . 1 . . . . . . . . 4309 1 878 . 1 1 178 178 HIS N N 15 127.2 . . 1 . . . . . . . . 4309 1 stop_ save_