data_19481 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19481 _Entry.Title ; The Solution Structure of the Regulatory Domain of Tyrosine Hydroxylase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-06 _Entry.Accession_date 2013-09-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 shengnan zhang . . . 19481 2 Tao Huang . . . 19481 3 Andrew Hinck . . . 19481 4 Paul Fitzpatrick . . . 19481 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Fitzpatrick group' . 19481 2 . UTHSCSA . 19481 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19481 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 223 19481 '15N chemical shifts' 127 19481 '1H chemical shifts' 127 19481 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-04-28 2013-09-06 update BMRB 'update entry citation' 19481 1 . . 2014-02-12 2013-09-06 original author 'original release' 19481 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19480 'RDTH dimer' 19481 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19481 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24361276 _Citation.Full_citation . _Citation.Title 'The Solution Structure of the Regulatory Domain of Tyrosine Hydroxylase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 426 _Citation.Journal_issue 7 _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 1483 _Citation.Page_last 1497 _Citation.Year 2013 _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 Shengnan Zhang . . . 19481 1 2 Tao Huang . . . 19481 1 3 Andrew Hinck . . . 19481 1 4 Paul Fitzpatrick . . . 19481 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ACT domain' 19481 1 'NMR spectroscopy' 19481 1 regulation 19481 1 'Tyrosine hydroxylase' 19481 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19481 _Assembly.ID 1 _Assembly.Name 'RDTH dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17252.3 _Assembly.Enzyme_commission_number . _Assembly.Details homodimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RDTH, chain 1' 1 $regulatory_domain_of_tyrosine_hydroxylase A . yes native no no . . . 19481 1 2 'RDTH, chain 2' 1 $regulatory_domain_of_tyrosine_hydroxylase B . no native no no . . . 19481 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_regulatory_domain_of_tyrosine_hydroxylase _Entity.Sf_category entity _Entity.Sf_framecode regulatory_domain_of_tyrosine_hydroxylase _Entity.Entry_ID 19481 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ser40_phosphorylated_regulatory_domain_of_tyrosine_hydroxylase _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 ; MPTPSAPSPQPKGFRRAVSE QDAKQAEAVTSPRFIGRRQS LIEDARKEREAAAAAAAAAV ASSEPGNPLEAVVFEERDGN AVLNLLFSLRGTKPSSLSRA VKVFETFEAKIHHLETRPAQ RPLAGSPHLEYFVRFEVPSG DLAALLSSVRRVSDDVRSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19480 . regulatory_domain_of_tyrosine_hydroxylase . . . . . 100.00 159 100.00 100.00 9.88e-106 . . . . 19481 1 2 no BMRB 19482 . RDTyrH65-159 . . . . . 58.49 93 100.00 100.00 1.46e-57 . . . . 19481 1 3 no PDB 2MDA . "The Solution Structure Of The Regulatory Domain Of Tyrosine Hydroxylase" . . . . . 59.75 95 100.00 100.00 2.65e-59 . . . . 19481 1 4 no GB AAA40434 . "tyrosine hydroxylase [Mus musculus]" . . . . . 100.00 498 97.48 98.74 4.92e-99 . . . . 19481 1 5 no GB AAA42257 . "tyrosine hydroxylase (EC 1.14.16.2) [Rattus norvegicus]" . . . . . 100.00 498 100.00 100.00 1.61e-101 . . . . 19481 1 6 no GB AAA42258 . "tyrosine hydroxylase [Rattus norvegicus]" . . . . . 100.00 498 100.00 100.00 1.61e-101 . . . . 19481 1 7 no GB AAB59722 . "tyrosine hydroxylase [Rattus norvegicus]" . . . . . 66.04 105 100.00 100.00 9.25e-64 . . . . 19481 1 8 no GB AAI56669 . "Tyrosine hydroxylase [synthetic construct]" . . . . . 100.00 498 97.48 98.74 4.92e-99 . . . . 19481 1 9 no REF NP_033403 . "tyrosine 3-monooxygenase [Mus musculus]" . . . . . 100.00 498 97.48 98.74 4.92e-99 . . . . 19481 1 10 no REF NP_036872 . "tyrosine 3-monooxygenase [Rattus norvegicus]" . . . . . 100.00 498 100.00 100.00 1.61e-101 . . . . 19481 1 11 no SP P04177 . "RecName: Full=Tyrosine 3-monooxygenase; AltName: Full=Tyrosine 3-hydroxylase; Short=TH" . . . . . 100.00 498 100.00 100.00 1.61e-101 . . . . 19481 1 12 no SP P24529 . "RecName: Full=Tyrosine 3-monooxygenase; AltName: Full=Tyrosine 3-hydroxylase; Short=TH" . . . . . 100.00 498 97.48 98.74 4.92e-99 . . . . 19481 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19481 1 2 . PRO . 19481 1 3 . THR . 19481 1 4 . PRO . 19481 1 5 . SER . 19481 1 6 . ALA . 19481 1 7 . PRO . 19481 1 8 . SER . 19481 1 9 . PRO . 19481 1 10 . GLN . 19481 1 11 . PRO . 19481 1 12 . LYS . 19481 1 13 . GLY . 19481 1 14 . PHE . 19481 1 15 . ARG . 19481 1 16 . ARG . 19481 1 17 . ALA . 19481 1 18 . VAL . 19481 1 19 . SER . 19481 1 20 . GLU . 19481 1 21 . GLN . 19481 1 22 . ASP . 19481 1 23 . ALA . 19481 1 24 . LYS . 19481 1 25 . GLN . 19481 1 26 . ALA . 19481 1 27 . GLU . 19481 1 28 . ALA . 19481 1 29 . VAL . 19481 1 30 . THR . 19481 1 31 . SER . 19481 1 32 . PRO . 19481 1 33 . ARG . 19481 1 34 . PHE . 19481 1 35 . ILE . 19481 1 36 . GLY . 19481 1 37 . ARG . 19481 1 38 . ARG . 19481 1 39 . GLN . 19481 1 40 . SER . 19481 1 41 . LEU . 19481 1 42 . ILE . 19481 1 43 . GLU . 19481 1 44 . ASP . 19481 1 45 . ALA . 19481 1 46 . ARG . 19481 1 47 . LYS . 19481 1 48 . GLU . 19481 1 49 . ARG . 19481 1 50 . GLU . 19481 1 51 . ALA . 19481 1 52 . ALA . 19481 1 53 . ALA . 19481 1 54 . ALA . 19481 1 55 . ALA . 19481 1 56 . ALA . 19481 1 57 . ALA . 19481 1 58 . ALA . 19481 1 59 . ALA . 19481 1 60 . VAL . 19481 1 61 . ALA . 19481 1 62 . SER . 19481 1 63 . SER . 19481 1 64 . GLU . 19481 1 65 . PRO . 19481 1 66 . GLY . 19481 1 67 . ASN . 19481 1 68 . PRO . 19481 1 69 . LEU . 19481 1 70 . GLU . 19481 1 71 . ALA . 19481 1 72 . VAL . 19481 1 73 . VAL . 19481 1 74 . PHE . 19481 1 75 . GLU . 19481 1 76 . GLU . 19481 1 77 . ARG . 19481 1 78 . ASP . 19481 1 79 . GLY . 19481 1 80 . ASN . 19481 1 81 . ALA . 19481 1 82 . VAL . 19481 1 83 . LEU . 19481 1 84 . ASN . 19481 1 85 . LEU . 19481 1 86 . LEU . 19481 1 87 . PHE . 19481 1 88 . SER . 19481 1 89 . LEU . 19481 1 90 . ARG . 19481 1 91 . GLY . 19481 1 92 . THR . 19481 1 93 . LYS . 19481 1 94 . PRO . 19481 1 95 . SER . 19481 1 96 . SER . 19481 1 97 . LEU . 19481 1 98 . SER . 19481 1 99 . ARG . 19481 1 100 . ALA . 19481 1 101 . VAL . 19481 1 102 . LYS . 19481 1 103 . VAL . 19481 1 104 . PHE . 19481 1 105 . GLU . 19481 1 106 . THR . 19481 1 107 . PHE . 19481 1 108 . GLU . 19481 1 109 . ALA . 19481 1 110 . LYS . 19481 1 111 . ILE . 19481 1 112 . HIS . 19481 1 113 . HIS . 19481 1 114 . LEU . 19481 1 115 . GLU . 19481 1 116 . THR . 19481 1 117 . ARG . 19481 1 118 . PRO . 19481 1 119 . ALA . 19481 1 120 . GLN . 19481 1 121 . ARG . 19481 1 122 . PRO . 19481 1 123 . LEU . 19481 1 124 . ALA . 19481 1 125 . GLY . 19481 1 126 . SER . 19481 1 127 . PRO . 19481 1 128 . HIS . 19481 1 129 . LEU . 19481 1 130 . GLU . 19481 1 131 . TYR . 19481 1 132 . PHE . 19481 1 133 . VAL . 19481 1 134 . ARG . 19481 1 135 . PHE . 19481 1 136 . GLU . 19481 1 137 . VAL . 19481 1 138 . PRO . 19481 1 139 . SER . 19481 1 140 . GLY . 19481 1 141 . ASP . 19481 1 142 . LEU . 19481 1 143 . ALA . 19481 1 144 . ALA . 19481 1 145 . LEU . 19481 1 146 . LEU . 19481 1 147 . SER . 19481 1 148 . SER . 19481 1 149 . VAL . 19481 1 150 . ARG . 19481 1 151 . ARG . 19481 1 152 . VAL . 19481 1 153 . SER . 19481 1 154 . ASP . 19481 1 155 . ASP . 19481 1 156 . VAL . 19481 1 157 . ARG . 19481 1 158 . SER . 19481 1 159 . ALA . 19481 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19481 1 . PRO 2 2 19481 1 . THR 3 3 19481 1 . PRO 4 4 19481 1 . SER 5 5 19481 1 . ALA 6 6 19481 1 . PRO 7 7 19481 1 . SER 8 8 19481 1 . PRO 9 9 19481 1 . GLN 10 10 19481 1 . PRO 11 11 19481 1 . LYS 12 12 19481 1 . GLY 13 13 19481 1 . PHE 14 14 19481 1 . ARG 15 15 19481 1 . ARG 16 16 19481 1 . ALA 17 17 19481 1 . VAL 18 18 19481 1 . SER 19 19 19481 1 . GLU 20 20 19481 1 . GLN 21 21 19481 1 . ASP 22 22 19481 1 . ALA 23 23 19481 1 . LYS 24 24 19481 1 . GLN 25 25 19481 1 . ALA 26 26 19481 1 . GLU 27 27 19481 1 . ALA 28 28 19481 1 . VAL 29 29 19481 1 . THR 30 30 19481 1 . SER 31 31 19481 1 . PRO 32 32 19481 1 . ARG 33 33 19481 1 . PHE 34 34 19481 1 . ILE 35 35 19481 1 . GLY 36 36 19481 1 . ARG 37 37 19481 1 . ARG 38 38 19481 1 . GLN 39 39 19481 1 . SER 40 40 19481 1 . LEU 41 41 19481 1 . ILE 42 42 19481 1 . GLU 43 43 19481 1 . ASP 44 44 19481 1 . ALA 45 45 19481 1 . ARG 46 46 19481 1 . LYS 47 47 19481 1 . GLU 48 48 19481 1 . ARG 49 49 19481 1 . GLU 50 50 19481 1 . ALA 51 51 19481 1 . ALA 52 52 19481 1 . ALA 53 53 19481 1 . ALA 54 54 19481 1 . ALA 55 55 19481 1 . ALA 56 56 19481 1 . ALA 57 57 19481 1 . ALA 58 58 19481 1 . ALA 59 59 19481 1 . VAL 60 60 19481 1 . ALA 61 61 19481 1 . SER 62 62 19481 1 . SER 63 63 19481 1 . GLU 64 64 19481 1 . PRO 65 65 19481 1 . GLY 66 66 19481 1 . ASN 67 67 19481 1 . PRO 68 68 19481 1 . LEU 69 69 19481 1 . GLU 70 70 19481 1 . ALA 71 71 19481 1 . VAL 72 72 19481 1 . VAL 73 73 19481 1 . PHE 74 74 19481 1 . GLU 75 75 19481 1 . GLU 76 76 19481 1 . ARG 77 77 19481 1 . ASP 78 78 19481 1 . GLY 79 79 19481 1 . ASN 80 80 19481 1 . ALA 81 81 19481 1 . VAL 82 82 19481 1 . LEU 83 83 19481 1 . ASN 84 84 19481 1 . LEU 85 85 19481 1 . LEU 86 86 19481 1 . PHE 87 87 19481 1 . SER 88 88 19481 1 . LEU 89 89 19481 1 . ARG 90 90 19481 1 . GLY 91 91 19481 1 . THR 92 92 19481 1 . LYS 93 93 19481 1 . PRO 94 94 19481 1 . SER 95 95 19481 1 . SER 96 96 19481 1 . LEU 97 97 19481 1 . SER 98 98 19481 1 . ARG 99 99 19481 1 . ALA 100 100 19481 1 . VAL 101 101 19481 1 . LYS 102 102 19481 1 . VAL 103 103 19481 1 . PHE 104 104 19481 1 . GLU 105 105 19481 1 . THR 106 106 19481 1 . PHE 107 107 19481 1 . GLU 108 108 19481 1 . ALA 109 109 19481 1 . LYS 110 110 19481 1 . ILE 111 111 19481 1 . HIS 112 112 19481 1 . HIS 113 113 19481 1 . LEU 114 114 19481 1 . GLU 115 115 19481 1 . THR 116 116 19481 1 . ARG 117 117 19481 1 . PRO 118 118 19481 1 . ALA 119 119 19481 1 . GLN 120 120 19481 1 . ARG 121 121 19481 1 . PRO 122 122 19481 1 . LEU 123 123 19481 1 . ALA 124 124 19481 1 . GLY 125 125 19481 1 . SER 126 126 19481 1 . PRO 127 127 19481 1 . HIS 128 128 19481 1 . LEU 129 129 19481 1 . GLU 130 130 19481 1 . TYR 131 131 19481 1 . PHE 132 132 19481 1 . VAL 133 133 19481 1 . ARG 134 134 19481 1 . PHE 135 135 19481 1 . GLU 136 136 19481 1 . VAL 137 137 19481 1 . PRO 138 138 19481 1 . SER 139 139 19481 1 . GLY 140 140 19481 1 . ASP 141 141 19481 1 . LEU 142 142 19481 1 . ALA 143 143 19481 1 . ALA 144 144 19481 1 . LEU 145 145 19481 1 . LEU 146 146 19481 1 . SER 147 147 19481 1 . SER 148 148 19481 1 . VAL 149 149 19481 1 . ARG 150 150 19481 1 . ARG 151 151 19481 1 . VAL 152 152 19481 1 . SER 153 153 19481 1 . ASP 154 154 19481 1 . ASP 155 155 19481 1 . VAL 156 156 19481 1 . ARG 157 157 19481 1 . SER 158 158 19481 1 . ALA 159 159 19481 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 19481 _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 $regulatory_domain_of_tyrosine_hydroxylase . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19481 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 19481 _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 $regulatory_domain_of_tyrosine_hydroxylase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pETNTERM . . . . . . 19481 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19481 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 M leupeptin and 1 M pepstatin A were added as protease inhibitor' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ser40 phosphorylated regulatory domain of tyrosine hydroxylase' '[U-95% 13C; U-95% 15N]' . . 1 $regulatory_domain_of_tyrosine_hydroxylase . . . 0.8 1.2 mM . . . . 19481 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19481 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19481 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19481 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19481 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.11 . M 19481 1 pH 7 . pH 19481 1 pressure 1 . atm 19481 1 temperature 300 . K 19481 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19481 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19481 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignments' 19481 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19481 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19481 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19481 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19481 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19481 1 2 spectrometer_2 Bruker Avance . 600 . . . 19481 1 3 spectrometer_3 Bruker Avance . 500 . . . 19481 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 19481 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19481 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19481 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19481 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19481 1 5 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19481 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19481 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRView _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19481 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19481 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19481 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19481 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19481 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19481 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19481 1 2 '3D CBCA(CO)NH' 1 $sample_1 . 19481 1 3 '3D HNCA' 1 $sample_1 . 19481 1 4 '3D HNCACB' 1 $sample_1 . 19481 1 5 '3D HCACO' 1 $sample_1 . 19481 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO CA C 13 61.651 0.30 . 1 . . . . 2 P CA . 19481 1 2 . 1 1 2 2 PRO CB C 13 32.595 0.30 . 1 . . . . 2 P CB . 19481 1 3 . 1 1 3 3 THR N N 15 116.761 0.30 . 1 . . . . 3 T H . 19481 1 4 . 1 1 3 3 THR H H 1 8.071 0.02 . 1 . . . . 3 T CA . 19481 1 5 . 1 1 3 3 THR CA C 13 62.361 0.30 . 1 . . . . 3 T CB . 19481 1 6 . 1 1 3 3 THR CB C 13 69.786 0.30 . 1 . . . . 3 T N . 19481 1 7 . 1 1 4 4 PRO CA C 13 62.424 0.30 . 1 . . . . 4 P CA . 19481 1 8 . 1 1 4 4 PRO CB C 13 32.975 0.30 . 1 . . . . 4 P CB . 19481 1 9 . 1 1 5 5 SER N N 15 119.117 0.30 . 1 . . . . 5 S H . 19481 1 10 . 1 1 5 5 SER H H 1 8.387 0.02 . 1 . . . . 5 S CA . 19481 1 11 . 1 1 5 5 SER CA C 13 58.340 0.30 . 1 . . . . 5 S CB . 19481 1 12 . 1 1 5 5 SER CB C 13 63.833 0.30 . 1 . . . . 5 S N . 19481 1 13 . 1 1 6 6 ALA N N 15 127.058 0.30 . 1 . . . . 6 A H . 19481 1 14 . 1 1 6 6 ALA H H 1 8.241 0.02 . 1 . . . . 6 A CA . 19481 1 15 . 1 1 6 6 ALA CA C 13 50.453 0.30 . 1 . . . . 6 A CB . 19481 1 16 . 1 1 6 6 ALA CB C 13 18.202 0.30 . 1 . . . . 6 A N . 19481 1 17 . 1 1 7 7 PRO CA C 13 63.250 0.30 . 1 . . . . 7 P CA . 19481 1 18 . 1 1 7 7 PRO CB C 13 31.850 0.30 . 1 . . . . 7 P CB . 19481 1 19 . 1 1 8 8 SER N N 15 116.560 0.30 . 1 . . . . 8 S H . 19481 1 20 . 1 1 8 8 SER H H 1 8.370 0.02 . 1 . . . . 8 S CA . 19481 1 21 . 1 1 8 8 SER CA C 13 58.530 0.30 . 1 . . . . 8 S CB . 19481 1 22 . 1 1 8 8 SER CB C 13 63.970 0.30 . 1 . . . . 8 S N . 19481 1 23 . 1 1 9 9 PRO CA C 13 62.800 0.30 . 1 . . . . 9 P CA . 19481 1 24 . 1 1 9 9 PRO CB C 13 32.130 0.30 . 1 . . . . 9 P CB . 19481 1 25 . 1 1 10 10 GLN N N 15 121.820 0.30 . 1 . . . . 10 Q H . 19481 1 26 . 1 1 10 10 GLN H H 1 8.440 0.02 . 1 . . . . 10 Q CA . 19481 1 27 . 1 1 10 10 GLN CA C 13 56.760 0.30 . 1 . . . . 10 Q CB . 19481 1 28 . 1 1 10 10 GLN CB C 13 32.800 0.30 . 1 . . . . 10 Q N . 19481 1 29 . 1 1 13 13 GLY N N 15 109.790 0.30 . 1 . . . . 12 K CA . 19481 1 30 . 1 1 13 13 GLY H H 1 8.377 0.02 . 1 . . . . 12 K CB . 19481 1 31 . 1 1 13 13 GLY CA C 13 45.665 0.30 . 1 . . . . 13 G H . 19481 1 32 . 1 1 14 14 PHE N N 15 120.230 0.30 . 1 . . . . 13 G CA . 19481 1 33 . 1 1 14 14 PHE H H 1 8.000 0.02 . 1 . . . . 13 G N . 19481 1 34 . 1 1 14 14 PHE CA C 13 57.490 0.30 . 1 . . . . 14 F H . 19481 1 35 . 1 1 14 14 PHE CB C 13 39.600 0.30 . 1 . . . . 14 F CA . 19481 1 36 . 1 1 15 15 ARG N N 15 122.620 0.30 . 1 . . . . 14 F CB . 19481 1 37 . 1 1 15 15 ARG H H 1 8.278 0.02 . 1 . . . . 14 F N . 19481 1 38 . 1 1 15 15 ARG CA C 13 56.567 0.30 . 1 . . . . 15 R H . 19481 1 39 . 1 1 15 15 ARG CB C 13 30.457 0.30 . 1 . . . . 15 R CA . 19481 1 40 . 1 1 16 16 ARG N N 15 122.813 0.30 . 1 . . . . 15 R CB . 19481 1 41 . 1 1 16 16 ARG H H 1 8.387 0.02 . 1 . . . . 15 R N . 19481 1 42 . 1 1 16 16 ARG CA C 13 56.650 0.30 . 1 . . . . 16 R H . 19481 1 43 . 1 1 16 16 ARG CB C 13 30.450 0.30 . 1 . . . . 16 R CA . 19481 1 44 . 1 1 17 17 ALA N N 15 126.080 0.30 . 1 . . . . 16 R CB . 19481 1 45 . 1 1 17 17 ALA H H 1 8.380 0.02 . 1 . . . . 16 R N . 19481 1 46 . 1 1 17 17 ALA CA C 13 52.988 0.30 . 1 . . . . 17 A H . 19481 1 47 . 1 1 17 17 ALA CB C 13 19.047 0.30 . 1 . . . . 17 A CA . 19481 1 48 . 1 1 18 18 VAL N N 15 118.866 0.30 . 1 . . . . 17 A CB . 19481 1 49 . 1 1 18 18 VAL H H 1 8.039 0.02 . 1 . . . . 17 A N . 19481 1 50 . 1 1 18 18 VAL CA C 13 62.400 0.30 . 1 . . . . 18 V H . 19481 1 51 . 1 1 18 18 VAL CB C 13 32.600 0.30 . 1 . . . . 18 V CA . 19481 1 52 . 1 1 19 19 SER N N 15 117.800 0.30 . 1 . . . . 18 V CB . 19481 1 53 . 1 1 19 19 SER H H 1 8.400 0.02 . 1 . . . . 18 V N . 19481 1 54 . 1 1 19 19 SER CA C 13 56.500 0.30 . 1 . . . . 19 S H . 19481 1 55 . 1 1 19 19 SER CB C 13 63.300 0.30 . 1 . . . . 19 S CA . 19481 1 56 . 1 1 20 20 GLU N N 15 123.149 0.30 . 1 . . . . 19 S CB . 19481 1 57 . 1 1 20 20 GLU H H 1 8.534 0.02 . 1 . . . . 19 S N . 19481 1 58 . 1 1 20 20 GLU CA C 13 57.370 0.30 . 1 . . . . 20 E H . 19481 1 59 . 1 1 20 20 GLU CB C 13 29.730 0.30 . 1 . . . . 20 E CA . 19481 1 60 . 1 1 21 21 GLN N N 15 119.790 0.30 . 1 . . . . 20 E CB . 19481 1 61 . 1 1 21 21 GLN H H 1 8.270 0.02 . 1 . . . . 20 E N . 19481 1 62 . 1 1 21 21 GLN CA C 13 56.560 0.30 . 1 . . . . 21 Q H . 19481 1 63 . 1 1 21 21 GLN CB C 13 28.890 0.30 . 1 . . . . 21 Q CA . 19481 1 64 . 1 1 22 22 ASP N N 15 121.140 0.30 . 1 . . . . 21 Q CB . 19481 1 65 . 1 1 22 22 ASP H H 1 8.130 0.02 . 1 . . . . 21 Q N . 19481 1 66 . 1 1 22 22 ASP CA C 13 54.910 0.30 . 1 . . . . 22 D H . 19481 1 67 . 1 1 22 22 ASP CB C 13 41.140 0.30 . 1 . . . . 22 D CA . 19481 1 68 . 1 1 23 23 ALA N N 15 124.346 0.30 . 1 . . . . 22 D CB . 19481 1 69 . 1 1 23 23 ALA H H 1 8.126 0.02 . 1 . . . . 22 D N . 19481 1 70 . 1 1 23 23 ALA CA C 13 53.160 0.30 . 1 . . . . 23 A H . 19481 1 71 . 1 1 23 23 ALA CB C 13 19.050 0.30 . 1 . . . . 23 A CA . 19481 1 72 . 1 1 24 24 LYS N N 15 119.560 0.30 . 1 . . . . 23 A CB . 19481 1 73 . 1 1 24 24 LYS H H 1 8.140 0.02 . 1 . . . . 23 A N . 19481 1 74 . 1 1 24 24 LYS CA C 13 56.800 0.30 . 1 . . . . 24 K H . 19481 1 75 . 1 1 24 24 LYS CB C 13 32.800 0.30 . 1 . . . . 24 K CA . 19481 1 76 . 1 1 25 25 GLN N N 15 120.900 0.30 . 1 . . . . 24 K CB . 19481 1 77 . 1 1 25 25 GLN H H 1 8.170 0.02 . 1 . . . . 24 K N . 19481 1 78 . 1 1 25 25 GLN CA C 13 56.300 0.30 . 1 . . . . 25 Q H . 19481 1 79 . 1 1 25 25 GLN CB C 13 30.200 0.30 . 1 . . . . 25 Q CA . 19481 1 80 . 1 1 26 26 ALA N N 15 124.700 0.30 . 1 . . . . 25 Q CB . 19481 1 81 . 1 1 26 26 ALA H H 1 8.190 0.02 . 1 . . . . 25 Q N . 19481 1 82 . 1 1 26 26 ALA CA C 13 52.500 0.30 . 1 . . . . 26 A H . 19481 1 83 . 1 1 26 26 ALA CB C 13 18.900 0.30 . 1 . . . . 26 A CA . 19481 1 84 . 1 1 27 27 GLU N N 15 119.800 0.30 . 1 . . . . 26 A CB . 19481 1 85 . 1 1 27 27 GLU H H 1 8.200 0.02 . 1 . . . . 26 A N . 19481 1 86 . 1 1 27 27 GLU CA C 13 56.600 0.30 . 1 . . . . 27 E H . 19481 1 87 . 1 1 27 27 GLU CB C 13 30.300 0.30 . 1 . . . . 27 E CA . 19481 1 88 . 1 1 28 28 ALA N N 15 124.700 0.30 . 1 . . . . 27 E CB . 19481 1 89 . 1 1 28 28 ALA H H 1 8.170 0.02 . 1 . . . . 27 E N . 19481 1 90 . 1 1 28 28 ALA CA C 13 52.600 0.30 . 1 . . . . 28 A H . 19481 1 91 . 1 1 28 28 ALA CB C 13 19.200 0.30 . 1 . . . . 28 A CA . 19481 1 92 . 1 1 29 29 VAL CA C 13 56.354 0.30 . 1 . . . . 28 A CB . 19481 1 93 . 1 1 29 29 VAL CB C 13 30.581 0.30 . 1 . . . . 28 A N . 19481 1 94 . 1 1 30 30 THR N N 15 114.795 0.30 . 1 . . . . 29 V CA . 19481 1 95 . 1 1 30 30 THR H H 1 8.042 0.02 . 1 . . . . 29 V CB . 19481 1 96 . 1 1 30 30 THR CA C 13 61.598 0.30 . 1 . . . . 30 T H . 19481 1 97 . 1 1 30 30 THR CB C 13 70.015 0.30 . 1 . . . . 30 T CA . 19481 1 98 . 1 1 31 31 SER N N 15 117.619 0.30 . 1 . . . . 30 T CB . 19481 1 99 . 1 1 31 31 SER H H 1 8.028 0.02 . 1 . . . . 30 T N . 19481 1 100 . 1 1 31 31 SER CA C 13 55.664 0.30 . 1 . . . . 31 S H . 19481 1 101 . 1 1 31 31 SER CB C 13 64.114 0.30 . 1 . . . . 31 S CA . 19481 1 102 . 1 1 32 32 PRO CA C 13 63.500 0.30 . 1 . . . . 31 S CB . 19481 1 103 . 1 1 32 32 PRO CB C 13 31.800 0.30 . 1 . . . . 31 S N . 19481 1 104 . 1 1 33 33 ARG N N 15 120.360 0.30 . 1 . . . . 32 P CA . 19481 1 105 . 1 1 33 33 ARG H H 1 8.210 0.02 . 1 . . . . 32 P CB . 19481 1 106 . 1 1 33 33 ARG CA C 13 56.275 0.30 . 1 . . . . 33 R H . 19481 1 107 . 1 1 33 33 ARG CB C 13 30.159 0.30 . 1 . . . . 33 R CA . 19481 1 108 . 1 1 34 34 PHE N N 15 120.150 0.30 . 1 . . . . 33 R CB . 19481 1 109 . 1 1 34 34 PHE H H 1 7.887 0.02 . 1 . . . . 33 R N . 19481 1 110 . 1 1 34 34 PHE CA C 13 57.617 0.30 . 1 . . . . 34 F H . 19481 1 111 . 1 1 34 34 PHE CB C 13 39.454 0.30 . 1 . . . . 34 F CA . 19481 1 112 . 1 1 35 35 ILE N N 15 123.323 0.30 . 1 . . . . 34 F CB . 19481 1 113 . 1 1 35 35 ILE H H 1 7.976 0.02 . 1 . . . . 34 F N . 19481 1 114 . 1 1 35 35 ILE CA C 13 61.072 0.30 . 1 . . . . 35 I H . 19481 1 115 . 1 1 35 35 ILE CB C 13 38.468 0.30 . 1 . . . . 35 I CA . 19481 1 116 . 1 1 36 36 GLY N N 15 112.274 0.30 . 1 . . . . 35 I CB . 19481 1 117 . 1 1 36 36 GLY H H 1 8.003 0.02 . 1 . . . . 35 I N . 19481 1 118 . 1 1 36 36 GLY CA C 13 45.112 0.30 . 1 . . . . 36 G H . 19481 1 119 . 1 1 37 37 ARG N N 15 120.664 0.30 . 1 . . . . 36 G CA . 19481 1 120 . 1 1 37 37 ARG H H 1 8.128 0.02 . 1 . . . . 36 G N . 19481 1 121 . 1 1 37 37 ARG CA C 13 55.686 0.30 . 1 . . . . 37 R H . 19481 1 122 . 1 1 37 37 ARG CB C 13 30.946 0.30 . 1 . . . . 37 R CA . 19481 1 123 . 1 1 38 38 ARG N N 15 123.509 0.30 . 1 . . . . 37 R CB . 19481 1 124 . 1 1 38 38 ARG H H 1 8.478 0.02 . 1 . . . . 37 R N . 19481 1 125 . 1 1 38 38 ARG CA C 13 56.153 0.30 . 1 . . . . 38 R H . 19481 1 126 . 1 1 38 38 ARG CB C 13 30.561 0.30 . 1 . . . . 38 R CA . 19481 1 127 . 1 1 39 39 GLN N N 15 123.255 0.30 . 1 . . . . 38 R CB . 19481 1 128 . 1 1 39 39 GLN H H 1 8.625 0.02 . 1 . . . . 38 R N . 19481 1 129 . 1 1 39 39 GLN CA C 13 57.032 0.30 . 1 . . . . 39 Q H . 19481 1 130 . 1 1 39 39 GLN CB C 13 28.915 0.30 . 1 . . . . 39 Q CA . 19481 1 131 . 1 1 40 40 SER N N 15 117.626 0.30 . 1 . . . . 39 Q CB . 19481 1 132 . 1 1 40 40 SER H H 1 9.030 0.02 . 1 . . . . 39 Q N . 19481 1 133 . 1 1 40 40 SER CA C 13 58.853 0.30 . 1 . . . . 40 S H . 19481 1 134 . 1 1 40 40 SER CB C 13 65.213 0.30 . 1 . . . . 40 S CA . 19481 1 135 . 1 1 41 41 LEU N N 15 122.997 0.30 . 1 . . . . 40 S CB . 19481 1 136 . 1 1 41 41 LEU H H 1 7.875 0.02 . 1 . . . . 40 S N . 19481 1 137 . 1 1 41 41 LEU CA C 13 56.087 0.30 . 1 . . . . 41 L H . 19481 1 138 . 1 1 41 41 LEU CB C 13 42.426 0.30 . 1 . . . . 41 L CA . 19481 1 139 . 1 1 42 42 ILE N N 15 121.860 0.30 . 1 . . . . 41 L CB . 19481 1 140 . 1 1 42 42 ILE H H 1 7.912 0.02 . 1 . . . . 41 L N . 19481 1 141 . 1 1 42 42 ILE CA C 13 62.269 0.30 . 1 . . . . 42 I H . 19481 1 142 . 1 1 42 42 ILE CB C 13 38.341 0.30 . 1 . . . . 42 I CA . 19481 1 143 . 1 1 43 43 GLU N N 15 123.930 0.30 . 1 . . . . 42 I CB . 19481 1 144 . 1 1 43 43 GLU H H 1 8.372 0.02 . 1 . . . . 42 I N . 19481 1 145 . 1 1 43 43 GLU CA C 13 57.636 0.30 . 1 . . . . 43 E H . 19481 1 146 . 1 1 43 43 GLU CB C 13 29.891 0.30 . 1 . . . . 43 E CA . 19481 1 147 . 1 1 44 44 ASP N N 15 121.349 0.30 . 1 . . . . 43 E CB . 19481 1 148 . 1 1 44 44 ASP H H 1 8.291 0.02 . 1 . . . . 43 E N . 19481 1 149 . 1 1 44 44 ASP CA C 13 55.726 0.30 . 1 . . . . 44 D H . 19481 1 150 . 1 1 44 44 ASP CB C 13 40.876 0.30 . 1 . . . . 44 D CA . 19481 1 151 . 1 1 45 45 ALA N N 15 123.896 0.30 . 1 . . . . 44 D CB . 19481 1 152 . 1 1 45 45 ALA H H 1 8.135 0.02 . 1 . . . . 44 D N . 19481 1 153 . 1 1 45 45 ALA CA C 13 54.079 0.30 . 1 . . . . 45 A H . 19481 1 154 . 1 1 45 45 ALA CB C 13 18.343 0.30 . 1 . . . . 45 A CA . 19481 1 155 . 1 1 46 46 ARG N N 15 119.505 0.30 . 1 . . . . 45 A CB . 19481 1 156 . 1 1 46 46 ARG H H 1 8.049 0.02 . 1 . . . . 45 A N . 19481 1 157 . 1 1 46 46 ARG CA C 13 58.622 0.30 . 1 . . . . 46 R H . 19481 1 158 . 1 1 46 46 ARG CB C 13 29.750 0.30 . 1 . . . . 46 R CA . 19481 1 159 . 1 1 47 47 LYS N N 15 120.193 0.30 . 1 . . . . 46 R CB . 19481 1 160 . 1 1 47 47 LYS H H 1 8.093 0.02 . 1 . . . . 46 R N . 19481 1 161 . 1 1 47 47 LYS CA C 13 58.715 0.30 . 1 . . . . 47 K H . 19481 1 162 . 1 1 47 47 LYS CB C 13 32.285 0.30 . 1 . . . . 47 K CA . 19481 1 163 . 1 1 48 48 GLU N N 15 120.917 0.30 . 1 . . . . 47 K CB . 19481 1 164 . 1 1 48 48 GLU H H 1 8.170 0.02 . 1 . . . . 47 K N . 19481 1 165 . 1 1 48 48 GLU CA C 13 58.654 0.30 . 1 . . . . 48 E H . 19481 1 166 . 1 1 48 48 GLU CB C 13 29.469 0.30 . 1 . . . . 48 E CA . 19481 1 167 . 1 1 49 49 ARG CA C 13 58.370 0.30 . 1 . . . . 48 E CB . 19481 1 168 . 1 1 49 49 ARG CB C 13 30.010 0.30 . 1 . . . . 48 E N . 19481 1 169 . 1 1 50 50 GLU N N 15 120.986 0.30 . 1 . . . . 49 R CA . 19481 1 170 . 1 1 50 50 GLU H H 1 8.366 0.02 . 1 . . . . 49 R CB . 19481 1 171 . 1 1 50 50 GLU CA C 13 58.519 0.30 . 1 . . . . 50 E H . 19481 1 172 . 1 1 50 50 GLU CB C 13 29.450 0.30 . 1 . . . . 50 E CA . 19481 1 173 . 1 1 51 51 ALA N N 15 123.780 0.30 . 1 . . . . 50 E CB . 19481 1 174 . 1 1 51 51 ALA H H 1 8.160 0.02 . 1 . . . . 50 E N . 19481 1 175 . 1 1 51 51 ALA CA C 13 54.200 0.30 . 1 . . . . 51 A H . 19481 1 176 . 1 1 51 51 ALA CB C 13 18.000 0.30 . 1 . . . . 51 A CA . 19481 1 177 . 1 1 52 52 ALA N N 15 122.300 0.30 . 1 . . . . 51 A CB . 19481 1 178 . 1 1 52 52 ALA H H 1 8.080 0.02 . 1 . . . . 51 A N . 19481 1 179 . 1 1 52 52 ALA CA C 13 54.100 0.30 . 1 . . . . 52 A H . 19481 1 180 . 1 1 52 52 ALA CB C 13 18.000 0.30 . 1 . . . . 52 A CA . 19481 1 181 . 1 1 53 53 ALA N N 15 122.200 0.30 . 1 . . . . 52 A CB . 19481 1 182 . 1 1 53 53 ALA H H 1 8.000 0.02 . 1 . . . . 52 A N . 19481 1 183 . 1 1 53 53 ALA CA C 13 54.000 0.30 . 1 . . . . 53 A H . 19481 1 184 . 1 1 53 53 ALA CB C 13 18.200 0.30 . 1 . . . . 53 A CA . 19481 1 185 . 1 1 54 54 ALA N N 15 122.230 0.30 . 1 . . . . 53 A CB . 19481 1 186 . 1 1 54 54 ALA H H 1 8.000 0.02 . 1 . . . . 53 A N . 19481 1 187 . 1 1 54 54 ALA CA C 13 53.900 0.30 . 1 . . . . 54 A H . 19481 1 188 . 1 1 54 54 ALA CB C 13 18.200 0.30 . 1 . . . . 54 A CA . 19481 1 189 . 1 1 55 55 ALA N N 15 121.970 0.30 . 1 . . . . 54 A CB . 19481 1 190 . 1 1 55 55 ALA H H 1 7.960 0.02 . 1 . . . . 54 A N . 19481 1 191 . 1 1 55 55 ALA CA C 13 53.800 0.30 . 1 . . . . 55 A H . 19481 1 192 . 1 1 55 55 ALA CB C 13 18.200 0.30 . 1 . . . . 55 A CA . 19481 1 193 . 1 1 56 56 ALA N N 15 121.870 0.30 . 1 . . . . 55 A CB . 19481 1 194 . 1 1 56 56 ALA H H 1 7.930 0.02 . 1 . . . . 55 A N . 19481 1 195 . 1 1 56 56 ALA CA C 13 53.600 0.30 . 1 . . . . 56 A H . 19481 1 196 . 1 1 56 56 ALA CB C 13 18.600 0.30 . 1 . . . . 56 A CA . 19481 1 197 . 1 1 57 57 ALA N N 15 121.440 0.30 . 1 . . . . 56 A CB . 19481 1 198 . 1 1 57 57 ALA H H 1 7.870 0.02 . 1 . . . . 56 A N . 19481 1 199 . 1 1 57 57 ALA CA C 13 53.400 0.30 . 1 . . . . 57 A H . 19481 1 200 . 1 1 57 57 ALA CB C 13 18.300 0.30 . 1 . . . . 57 A CA . 19481 1 201 . 1 1 58 58 ALA N N 15 121.400 0.30 . 1 . . . . 57 A CB . 19481 1 202 . 1 1 58 58 ALA H H 1 7.850 0.02 . 1 . . . . 57 A N . 19481 1 203 . 1 1 58 58 ALA CA C 13 52.900 0.30 . 1 . . . . 58 A H . 19481 1 204 . 1 1 58 58 ALA CB C 13 18.500 0.30 . 1 . . . . 58 A CA . 19481 1 205 . 1 1 59 59 ALA N N 15 122.050 0.30 . 1 . . . . 58 A CB . 19481 1 206 . 1 1 59 59 ALA H H 1 7.820 0.02 . 1 . . . . 58 A N . 19481 1 207 . 1 1 59 59 ALA CA C 13 52.800 0.30 . 1 . . . . 59 A H . 19481 1 208 . 1 1 59 59 ALA CB C 13 18.800 0.30 . 1 . . . . 59 A CA . 19481 1 209 . 1 1 60 60 VAL N N 15 118.141 0.30 . 1 . . . . 59 A CB . 19481 1 210 . 1 1 60 60 VAL H H 1 7.776 0.02 . 1 . . . . 59 A N . 19481 1 211 . 1 1 60 60 VAL CA C 13 62.680 0.30 . 1 . . . . 60 V H . 19481 1 212 . 1 1 60 60 VAL CB C 13 32.271 0.30 . 1 . . . . 60 V CA . 19481 1 213 . 1 1 61 61 ALA N N 15 126.578 0.30 . 1 . . . . 60 V CB . 19481 1 214 . 1 1 61 61 ALA H H 1 8.140 0.02 . 1 . . . . 60 V N . 19481 1 215 . 1 1 61 61 ALA CA C 13 52.787 0.30 . 1 . . . . 61 A H . 19481 1 216 . 1 1 61 61 ALA CB C 13 18.884 0.30 . 1 . . . . 61 A CA . 19481 1 217 . 1 1 62 62 SER N N 15 114.536 0.30 . 1 . . . . 61 A CB . 19481 1 218 . 1 1 62 62 SER H H 1 8.148 0.02 . 1 . . . . 61 A N . 19481 1 219 . 1 1 62 62 SER CA C 13 58.379 0.30 . 1 . . . . 62 S H . 19481 1 220 . 1 1 62 62 SER CB C 13 63.918 0.30 . 1 . . . . 62 S CA . 19481 1 221 . 1 1 63 63 SER N N 15 117.627 0.30 . 1 . . . . 62 S CB . 19481 1 222 . 1 1 63 63 SER H H 1 8.217 0.02 . 1 . . . . 62 S N . 19481 1 223 . 1 1 63 63 SER CA C 13 58.481 0.30 . 1 . . . . 63 S H . 19481 1 224 . 1 1 63 63 SER CB C 13 63.833 0.30 . 1 . . . . 63 S CA . 19481 1 225 . 1 1 64 64 GLU N N 15 123.720 0.30 . 1 . . . . 63 S CB . 19481 1 226 . 1 1 64 64 GLU H H 1 8.250 0.02 . 1 . . . . 63 S N . 19481 1 227 . 1 1 64 64 GLU CA C 13 54.320 0.30 . 1 . . . . 64 E H . 19481 1 228 . 1 1 64 64 GLU CB C 13 29.891 0.30 . 1 . . . . 64 E CA . 19481 1 229 . 1 1 65 65 PRO CA C 13 63.612 0.30 . 1 . . . . 64 E CB . 19481 1 230 . 1 1 65 65 PRO CB C 13 32.004 0.30 . 1 . . . . 64 E N . 19481 1 231 . 1 1 66 66 GLY N N 15 109.119 0.30 . 1 . . . . 65 P CA . 19481 1 232 . 1 1 66 66 GLY H H 1 8.434 0.02 . 1 . . . . 65 P CB . 19481 1 233 . 1 1 66 66 GLY CA C 13 45.051 0.30 . 1 . . . . 66 G H . 19481 1 234 . 1 1 67 67 ASN N N 15 119.429 0.30 . 1 . . . . 66 G CA . 19481 1 235 . 1 1 67 67 ASN H H 1 8.227 0.02 . 1 . . . . 66 G N . 19481 1 236 . 1 1 67 67 ASN CA C 13 51.017 0.30 . 1 . . . . 67 N H . 19481 1 237 . 1 1 67 67 ASN CB C 13 38.764 0.30 . 1 . . . . 67 N CA . 19481 1 238 . 1 1 69 69 LEU CA C 13 56.085 0.30 . 1 . . . . 67 N CB . 19481 1 239 . 1 1 69 69 LEU CB C 13 42.285 0.30 . 1 . . . . 67 N N . 19481 1 240 . 1 1 70 70 GLU N N 15 121.670 0.30 . 1 . . . . 69 L CA . 19481 1 241 . 1 1 70 70 GLU H H 1 7.610 0.02 . 1 . . . . 69 L CB . 19481 1 242 . 1 1 70 70 GLU CA C 13 57.900 0.30 . 1 . . . . 70 E H . 19481 1 243 . 1 1 70 70 GLU CB C 13 29.800 0.30 . 1 . . . . 70 E CA . 19481 1 244 . 1 1 71 71 ALA CA C 13 52.800 0.30 . 1 . . . . 70 E CB . 19481 1 245 . 1 1 72 72 VAL N N 15 120.062 0.30 . 1 . . . . 70 E N . 19481 1 246 . 1 1 72 72 VAL H H 1 7.858 0.02 . 1 . . . . 71 A CA . 19481 1 247 . 1 1 72 72 VAL CA C 13 62.009 0.30 . 1 . . . . 72 V H . 19481 1 248 . 1 1 73 73 VAL N N 15 126.000 0.30 . 1 . . . . 72 V CA . 19481 1 249 . 1 1 73 73 VAL H H 1 8.230 0.02 . 1 . . . . 72 V N . 19481 1 250 . 1 1 73 73 VAL CA C 13 61.600 0.30 . 1 . . . . 73 V H . 19481 1 251 . 1 1 74 74 PHE CA C 13 55.238 0.30 . 1 . . . . 73 V CA . 19481 1 252 . 1 1 75 75 GLU N N 15 120.315 0.30 . 1 . . . . 73 V N . 19481 1 253 . 1 1 75 75 GLU H H 1 8.503 0.02 . 1 . . . . 74 F CA . 19481 1 254 . 1 1 75 75 GLU CA C 13 54.384 0.30 . 1 . . . . 75 E H . 19481 1 255 . 1 1 76 76 GLU N N 15 124.046 0.30 . 1 . . . . 75 E CA . 19481 1 256 . 1 1 76 76 GLU H H 1 8.788 0.02 . 1 . . . . 75 E N . 19481 1 257 . 1 1 76 76 GLU CA C 13 55.416 0.30 . 1 . . . . 76 E H . 19481 1 258 . 1 1 77 77 ARG N N 15 125.467 0.30 . 1 . . . . 76 E CA . 19481 1 259 . 1 1 77 77 ARG H H 1 9.088 0.02 . 1 . . . . 76 E N . 19481 1 260 . 1 1 77 77 ARG CA C 13 55.570 0.30 . 1 . . . . 77 R H . 19481 1 261 . 1 1 78 78 ASP N N 15 126.486 0.30 . 1 . . . . 77 R CA . 19481 1 262 . 1 1 78 78 ASP H H 1 9.238 0.02 . 1 . . . . 77 R N . 19481 1 263 . 1 1 78 78 ASP CA C 13 55.613 0.30 . 1 . . . . 78 D H . 19481 1 264 . 1 1 79 79 GLY N N 15 104.639 0.30 . 1 . . . . 78 D CA . 19481 1 265 . 1 1 79 79 GLY H H 1 8.674 0.02 . 1 . . . . 78 D N . 19481 1 266 . 1 1 79 79 GLY CA C 13 45.295 0.30 . 1 . . . . 79 G H . 19481 1 267 . 1 1 80 80 ASN CA C 13 51.680 0.30 . 1 . . . . 79 G CA . 19481 1 268 . 1 1 81 81 ALA N N 15 124.245 0.30 . 1 . . . . 79 G N . 19481 1 269 . 1 1 81 81 ALA H H 1 9.257 0.02 . 1 . . . . 80 N CA . 19481 1 270 . 1 1 81 81 ALA CA C 13 50.358 0.30 . 1 . . . . 81 A H . 19481 1 271 . 1 1 82 82 VAL N N 15 121.247 0.30 . 1 . . . . 81 A CA . 19481 1 272 . 1 1 82 82 VAL H H 1 8.920 0.02 . 1 . . . . 81 A N . 19481 1 273 . 1 1 82 82 VAL CA C 13 60.720 0.30 . 1 . . . . 82 V H . 19481 1 274 . 1 1 83 83 LEU N N 15 125.900 0.30 . 1 . . . . 82 V CA . 19481 1 275 . 1 1 83 83 LEU H H 1 8.340 0.02 . 1 . . . . 82 V N . 19481 1 276 . 1 1 83 83 LEU CA C 13 55.900 0.30 . 1 . . . . 83 L H . 19481 1 277 . 1 1 84 84 ASN N N 15 115.643 0.30 . 1 . . . . 83 L CA . 19481 1 278 . 1 1 84 84 ASN H H 1 8.289 0.02 . 1 . . . . 83 L N . 19481 1 279 . 1 1 84 84 ASN CA C 13 50.724 0.30 . 1 . . . . 84 N H . 19481 1 280 . 1 1 85 85 LEU N N 15 123.352 0.30 . 1 . . . . 84 N CA . 19481 1 281 . 1 1 85 85 LEU H H 1 9.215 0.02 . 1 . . . . 84 N N . 19481 1 282 . 1 1 85 85 LEU CA C 13 53.652 0.30 . 1 . . . . 85 L H . 19481 1 283 . 1 1 86 86 LEU N N 15 122.400 0.30 . 1 . . . . 85 L CA . 19481 1 284 . 1 1 86 86 LEU H H 1 8.990 0.02 . 1 . . . . 85 L N . 19481 1 285 . 1 1 86 86 LEU CA C 13 53.500 0.30 . 1 . . . . 86 L H . 19481 1 286 . 1 1 87 87 PHE N N 15 113.880 0.30 . 1 . . . . 86 L CA . 19481 1 287 . 1 1 87 87 PHE H H 1 8.550 0.02 . 1 . . . . 86 L N . 19481 1 288 . 1 1 87 87 PHE CA C 13 56.200 0.30 . 1 . . . . 87 F H . 19481 1 289 . 1 1 88 88 SER N N 15 115.400 0.30 . 1 . . . . 87 F CA . 19481 1 290 . 1 1 88 88 SER H H 1 9.420 0.02 . 1 . . . . 87 F N . 19481 1 291 . 1 1 88 88 SER CA C 13 56.600 0.30 . 1 . . . . 88 S H . 19481 1 292 . 1 1 89 89 LEU N N 15 122.300 0.30 . 1 . . . . 88 S CA . 19481 1 293 . 1 1 89 89 LEU H H 1 9.165 0.02 . 1 . . . . 88 S N . 19481 1 294 . 1 1 89 89 LEU CA C 13 53.000 0.30 . 1 . . . . 89 L H . 19481 1 295 . 1 1 91 91 GLY N N 15 108.940 0.30 . 1 . . . . 89 L CA . 19481 1 296 . 1 1 91 91 GLY H H 1 8.410 0.02 . 1 . . . . 89 L N . 19481 1 297 . 1 1 91 91 GLY CA C 13 45.300 0.30 . 1 . . . . 91 G H . 19481 1 298 . 1 1 92 92 THR N N 15 113.800 0.30 . 1 . . . . 91 G CA . 19481 1 299 . 1 1 92 92 THR H H 1 7.540 0.02 . 1 . . . . 91 G N . 19481 1 300 . 1 1 92 92 THR CA C 13 61.090 0.30 . 1 . . . . 92 T H . 19481 1 301 . 1 1 92 92 THR CB C 13 70.030 0.30 . 1 . . . . 92 T CA . 19481 1 302 . 1 1 95 95 SER CA C 13 58.100 0.30 . 1 . . . . 92 T CB . 19481 1 303 . 1 1 96 96 SER N N 15 117.100 0.30 . 1 . . . . 92 T N . 19481 1 304 . 1 1 96 96 SER H H 1 7.880 0.02 . 1 . . . . 95 S CA . 19481 1 305 . 1 1 96 96 SER CA C 13 56.900 0.30 . 1 . . . . 96 S H . 19481 1 306 . 1 1 97 97 LEU N N 15 125.300 0.30 . 1 . . . . 96 S CA . 19481 1 307 . 1 1 97 97 LEU H H 1 8.680 0.02 . 1 . . . . 96 S N . 19481 1 308 . 1 1 97 97 LEU CA C 13 58.220 0.30 . 1 . . . . 97 L H . 19481 1 309 . 1 1 97 97 LEU C C 13 178.800 0.30 . 1 . . . . 97 L C . 19481 1 310 . 1 1 98 98 SER N N 15 117.030 0.30 . 1 . . . . 97 L CA . 19481 1 311 . 1 1 98 98 SER H H 1 9.910 0.02 . 1 . . . . 97 L N . 19481 1 312 . 1 1 98 98 SER CA C 13 62.430 0.30 . 1 . . . . 98 S H . 19481 1 313 . 1 1 99 99 ARG N N 15 121.900 0.30 . 1 . . . . 98 S CA . 19481 1 314 . 1 1 99 99 ARG H H 1 7.420 0.02 . 1 . . . . 98 S N . 19481 1 315 . 1 1 99 99 ARG CA C 13 59.500 0.30 . 1 . . . . 99 R H . 19481 1 316 . 1 1 100 100 ALA N N 15 121.380 0.30 . 1 . . . . 99 R CA . 19481 1 317 . 1 1 100 100 ALA H H 1 7.470 0.02 . 1 . . . . 99 R N . 19481 1 318 . 1 1 100 100 ALA CA C 13 55.100 0.30 . 1 . . . . 100 A H . 19481 1 319 . 1 1 101 101 VAL N N 15 113.870 0.30 . 1 . . . . 100 A CA . 19481 1 320 . 1 1 101 101 VAL H H 1 8.900 0.02 . 1 . . . . 100 A N . 19481 1 321 . 1 1 101 101 VAL CA C 13 65.480 0.30 . 1 . . . . 101 V H . 19481 1 322 . 1 1 102 102 LYS CA C 13 58.400 0.30 . 1 . . . . 101 V CA . 19481 1 323 . 1 1 103 103 VAL N N 15 119.435 0.30 . 1 . . . . 101 V N . 19481 1 324 . 1 1 103 103 VAL H H 1 7.290 0.02 . 1 . . . . 102 K CA . 19481 1 325 . 1 1 103 103 VAL CA C 13 66.820 0.30 . 1 . . . . 103 V H . 19481 1 326 . 1 1 104 104 PHE N N 15 115.570 0.30 . 1 . . . . 103 V CA . 19481 1 327 . 1 1 104 104 PHE H H 1 6.890 0.02 . 1 . . . . 103 V N . 19481 1 328 . 1 1 104 104 PHE CA C 13 62.400 0.30 . 1 . . . . 104 F H . 19481 1 329 . 1 1 106 106 THR C C 13 175.100 0.30 . 1 . . . . 104 F CA . 19481 1 330 . 1 1 107 107 PHE N N 15 116.760 0.30 . 1 . . . . 104 F N . 19481 1 331 . 1 1 107 107 PHE H H 1 7.230 0.02 . 1 . . . . 106 T C . 19481 1 332 . 1 1 107 107 PHE CA C 13 60.420 0.30 . 1 . . . . 107 F H . 19481 1 333 . 1 1 108 108 GLU N N 15 114.974 0.30 . 1 . . . . 107 F CA . 19481 1 334 . 1 1 108 108 GLU H H 1 7.912 0.02 . 1 . . . . 107 F N . 19481 1 335 . 1 1 108 108 GLU CA C 13 57.070 0.30 . 1 . . . . 108 E H . 19481 1 336 . 1 1 109 109 ALA CA C 13 51.949 0.30 . 1 . . . . 108 E CA . 19481 1 337 . 1 1 110 110 LYS N N 15 122.595 0.30 . 1 . . . . 108 E N . 19481 1 338 . 1 1 110 110 LYS H H 1 8.777 0.02 . 1 . . . . 109 A CA . 19481 1 339 . 1 1 110 110 LYS CA C 13 55.480 0.30 . 1 . . . . 110 K H . 19481 1 340 . 1 1 111 111 ILE N N 15 126.340 0.30 . 1 . . . . 110 K CA . 19481 1 341 . 1 1 111 111 ILE H H 1 8.699 0.02 . 1 . . . . 110 K N . 19481 1 342 . 1 1 111 111 ILE CA C 13 62.620 0.30 . 1 . . . . 111 I H . 19481 1 343 . 1 1 112 112 HIS N N 15 127.760 0.30 . 1 . . . . 111 I CA . 19481 1 344 . 1 1 112 112 HIS H H 1 9.336 0.02 . 1 . . . . 111 I N . 19481 1 345 . 1 1 112 112 HIS CA C 13 57.200 0.30 . 1 . . . . 112 H H . 19481 1 346 . 1 1 113 113 HIS N N 15 116.940 0.30 . 1 . . . . 112 H CA . 19481 1 347 . 1 1 113 113 HIS H H 1 8.010 0.02 . 1 . . . . 112 H N . 19481 1 348 . 1 1 113 113 HIS CA C 13 56.820 0.30 . 1 . . . . 113 H H . 19481 1 349 . 1 1 115 115 GLU N N 15 119.810 0.30 . 1 . . . . 113 H CA . 19481 1 350 . 1 1 115 115 GLU H H 1 9.300 0.02 . 1 . . . . 113 H N . 19481 1 351 . 1 1 115 115 GLU CA C 13 54.890 0.30 . 1 . . . . 115 E H . 19481 1 352 . 1 1 116 116 THR N N 15 111.200 0.30 . 1 . . . . 115 E CA . 19481 1 353 . 1 1 116 116 THR H H 1 8.165 0.02 . 1 . . . . 115 E N . 19481 1 354 . 1 1 116 116 THR CA C 13 59.200 0.30 . 1 . . . . 116 T H . 19481 1 355 . 1 1 116 116 THR C C 13 175.100 0.30 . 1 . . . . 116 T C . 19481 1 356 . 1 1 117 117 ARG N N 15 120.260 0.30 . 1 . . . . 116 T CA . 19481 1 357 . 1 1 117 117 ARG H H 1 8.875 0.02 . 1 . . . . 116 T N . 19481 1 358 . 1 1 117 117 ARG CA C 13 53.800 0.30 . 1 . . . . 117 R H . 19481 1 359 . 1 1 118 118 PRO CA C 13 63.046 0.30 . 1 . . . . 117 R CA . 19481 1 360 . 1 1 119 119 ALA N N 15 126.020 0.30 . 1 . . . . 117 R N . 19481 1 361 . 1 1 119 119 ALA H H 1 8.298 0.02 . 1 . . . . 118 P CA . 19481 1 362 . 1 1 119 119 ALA CA C 13 51.883 0.30 . 1 . . . . 119 A H . 19481 1 363 . 1 1 119 119 ALA CB C 13 19.200 0.30 . 1 . . . . 119 A CA . 19481 1 364 . 1 1 120 120 GLN N N 15 120.559 0.30 . 1 . . . . 119 A CB . 19481 1 365 . 1 1 120 120 GLN H H 1 8.340 0.02 . 1 . . . . 119 A N . 19481 1 366 . 1 1 120 120 GLN CA C 13 56.824 0.30 . 1 . . . . 120 Q H . 19481 1 367 . 1 1 120 120 GLN CB C 13 29.751 0.30 . 1 . . . . 120 Q CA . 19481 1 368 . 1 1 121 121 ARG N N 15 121.000 0.30 . 1 . . . . 120 Q CB . 19481 1 369 . 1 1 121 121 ARG H H 1 8.400 0.02 . 1 . . . . 120 Q N . 19481 1 370 . 1 1 121 121 ARG CA C 13 53.591 0.30 . 1 . . . . 121 R H . 19481 1 371 . 1 1 121 121 ARG CB C 13 29.750 0.30 . 1 . . . . 121 R CA . 19481 1 372 . 1 1 122 122 PRO CA C 13 63.275 0.30 . 1 . . . . 121 R CB . 19481 1 373 . 1 1 122 122 PRO CB C 13 31.860 0.30 . 1 . . . . 121 R N . 19481 1 374 . 1 1 123 123 LEU N N 15 122.025 0.30 . 1 . . . . 122 P CA . 19481 1 375 . 1 1 123 123 LEU H H 1 8.483 0.02 . 1 . . . . 122 P CB . 19481 1 376 . 1 1 123 123 LEU CA C 13 54.872 0.30 . 1 . . . . 123 L H . 19481 1 377 . 1 1 123 123 LEU CB C 13 42.270 0.30 . 1 . . . . 123 L CA . 19481 1 378 . 1 1 124 124 ALA N N 15 124.624 0.30 . 1 . . . . 123 L CB . 19481 1 379 . 1 1 124 124 ALA H H 1 8.306 0.02 . 1 . . . . 123 L N . 19481 1 380 . 1 1 124 124 ALA CA C 13 52.981 0.30 . 1 . . . . 124 A H . 19481 1 381 . 1 1 124 124 ALA CB C 13 19.100 0.30 . 1 . . . . 124 A CA . 19481 1 382 . 1 1 125 125 GLY N N 15 108.562 0.30 . 1 . . . . 124 A CB . 19481 1 383 . 1 1 125 125 GLY H H 1 8.485 0.02 . 1 . . . . 124 A N . 19481 1 384 . 1 1 125 125 GLY CA C 13 45.295 0.30 . 1 . . . . 125 G H . 19481 1 385 . 1 1 126 126 SER N N 15 116.207 0.30 . 1 . . . . 125 G CA . 19481 1 386 . 1 1 126 126 SER H H 1 7.926 0.02 . 1 . . . . 125 G N . 19481 1 387 . 1 1 126 126 SER CA C 13 56.636 0.30 . 1 . . . . 126 S H . 19481 1 388 . 1 1 126 126 SER CB C 13 63.410 0.30 . 1 . . . . 126 S CA . 19481 1 389 . 1 1 130 130 GLU N N 15 120.065 0.30 . 1 . . . . 126 S CB . 19481 1 390 . 1 1 130 130 GLU H H 1 8.757 0.02 . 1 . . . . 126 S N . 19481 1 391 . 1 1 130 130 GLU CA C 13 54.300 0.30 . 1 . . . . 130 E H . 19481 1 392 . 1 1 131 131 TYR N N 15 118.967 0.30 . 1 . . . . 130 E CA . 19481 1 393 . 1 1 131 131 TYR H H 1 8.725 0.02 . 1 . . . . 130 E N . 19481 1 394 . 1 1 131 131 TYR CA C 13 57.310 0.30 . 1 . . . . 131 Y H . 19481 1 395 . 1 1 132 132 PHE N N 15 122.541 0.30 . 1 . . . . 131 Y CA . 19481 1 396 . 1 1 132 132 PHE H H 1 8.947 0.02 . 1 . . . . 131 Y N . 19481 1 397 . 1 1 132 132 PHE CA C 13 55.716 0.30 . 1 . . . . 132 F H . 19481 1 398 . 1 1 133 133 VAL N N 15 125.792 0.30 . 1 . . . . 132 F CA . 19481 1 399 . 1 1 133 133 VAL H H 1 8.950 0.02 . 1 . . . . 132 F N . 19481 1 400 . 1 1 133 133 VAL CA C 13 58.715 0.30 . 1 . . . . 133 V H . 19481 1 401 . 1 1 134 134 ARG N N 15 127.972 0.30 . 1 . . . . 133 V CA . 19481 1 402 . 1 1 134 134 ARG H H 1 9.073 0.02 . 1 . . . . 133 V N . 19481 1 403 . 1 1 134 134 ARG CA C 13 54.262 0.30 . 1 . . . . 134 R H . 19481 1 404 . 1 1 135 135 PHE N N 15 124.425 0.30 . 1 . . . . 134 R CA . 19481 1 405 . 1 1 135 135 PHE H H 1 9.058 0.02 . 1 . . . . 134 R N . 19481 1 406 . 1 1 135 135 PHE CA C 13 55.423 0.30 . 1 . . . . 135 F H . 19481 1 407 . 1 1 135 135 PHE C C 13 170.200 0.30 . 1 . . . . 135 F C . 19481 1 408 . 1 1 136 136 GLU N N 15 116.577 0.30 . 1 . . . . 135 F CA . 19481 1 409 . 1 1 136 136 GLU H H 1 8.572 0.02 . 1 . . . . 135 F N . 19481 1 410 . 1 1 136 136 GLU CA C 13 52.900 0.30 . 1 . . . . 136 E H . 19481 1 411 . 1 1 137 137 VAL N N 15 121.912 0.30 . 1 . . . . 136 E CA . 19481 1 412 . 1 1 137 137 VAL H H 1 8.858 0.02 . 1 . . . . 136 E N . 19481 1 413 . 1 1 137 137 VAL CA C 13 57.900 0.30 . 1 . . . . 137 V H . 19481 1 414 . 1 1 137 137 VAL CB C 13 37.000 0.30 . 1 . . . . 137 V CA . 19481 1 415 . 1 1 139 139 SER N N 15 120.486 0.30 . 1 . . . . 137 V CB . 19481 1 416 . 1 1 139 139 SER H H 1 8.916 0.02 . 1 . . . . 137 V N . 19481 1 417 . 1 1 139 139 SER CA C 13 62.802 0.30 . 1 . . . . 139 S H . 19481 1 418 . 1 1 140 140 GLY N N 15 108.932 0.30 . 1 . . . . 139 S CA . 19481 1 419 . 1 1 140 140 GLY H H 1 9.039 0.02 . 1 . . . . 139 S N . 19481 1 420 . 1 1 140 140 GLY CA C 13 46.127 0.30 . 1 . . . . 140 G H . 19481 1 421 . 1 1 141 141 ASP N N 15 118.207 0.30 . 1 . . . . 140 G CA . 19481 1 422 . 1 1 141 141 ASP H H 1 7.854 0.02 . 1 . . . . 140 G N . 19481 1 423 . 1 1 141 141 ASP CA C 13 54.384 0.30 . 1 . . . . 141 D H . 19481 1 424 . 1 1 142 142 LEU N N 15 120.885 0.30 . 1 . . . . 141 D CA . 19481 1 425 . 1 1 142 142 LEU H H 1 7.089 0.02 . 1 . . . . 141 D N . 19481 1 426 . 1 1 142 142 LEU CA C 13 58.776 0.30 . 1 . . . . 142 L H . 19481 1 427 . 1 1 143 143 ALA N N 15 119.946 0.30 . 1 . . . . 142 L CA . 19481 1 428 . 1 1 143 143 ALA H H 1 8.685 0.02 . 1 . . . . 142 L N . 19481 1 429 . 1 1 143 143 ALA CA C 13 55.888 0.30 . 1 . . . . 143 A H . 19481 1 430 . 1 1 144 144 ALA N N 15 122.096 0.30 . 1 . . . . 143 A CA . 19481 1 431 . 1 1 144 144 ALA H H 1 8.083 0.02 . 1 . . . . 143 A N . 19481 1 432 . 1 1 144 144 ALA CA C 13 54.628 0.30 . 1 . . . . 144 A H . 19481 1 433 . 1 1 145 145 LEU N N 15 122.990 0.30 . 1 . . . . 144 A CA . 19481 1 434 . 1 1 145 145 LEU H H 1 7.746 0.02 . 1 . . . . 144 A N . 19481 1 435 . 1 1 145 145 LEU CA C 13 58.837 0.30 . 1 . . . . 145 L H . 19481 1 436 . 1 1 146 146 LEU N N 15 120.370 0.30 . 1 . . . . 145 L CA . 19481 1 437 . 1 1 146 146 LEU H H 1 8.530 0.02 . 1 . . . . 145 L N . 19481 1 438 . 1 1 146 146 LEU CA C 13 57.617 0.30 . 1 . . . . 146 L H . 19481 1 439 . 1 1 147 147 SER N N 15 113.711 0.30 . 1 . . . . 146 L CA . 19481 1 440 . 1 1 147 147 SER H H 1 8.147 0.02 . 1 . . . . 146 L N . 19481 1 441 . 1 1 147 147 SER CA C 13 61.948 0.30 . 1 . . . . 147 S H . 19481 1 442 . 1 1 148 148 SER N N 15 116.833 0.30 . 1 . . . . 147 S CA . 19481 1 443 . 1 1 148 148 SER H H 1 7.668 0.02 . 1 . . . . 147 S N . 19481 1 444 . 1 1 148 148 SER CA C 13 62.424 0.30 . 1 . . . . 148 S H . 19481 1 445 . 1 1 149 149 VAL N N 15 123.357 0.30 . 1 . . . . 148 S CA . 19481 1 446 . 1 1 149 149 VAL H H 1 8.673 0.02 . 1 . . . . 148 S N . 19481 1 447 . 1 1 149 149 VAL CA C 13 66.401 0.30 . 1 . . . . 149 V H . 19481 1 448 . 1 1 150 150 ARG CA C 13 58.959 0.30 . 1 . . . . 149 V CA . 19481 1 449 . 1 1 151 151 ARG N N 15 115.343 0.30 . 1 . . . . 149 V N . 19481 1 450 . 1 1 151 151 ARG H H 1 7.156 0.02 . 1 . . . . 150 R CA . 19481 1 451 . 1 1 151 151 ARG CA C 13 58.166 0.30 . 1 . . . . 151 R H . 19481 1 452 . 1 1 152 152 VAL N N 15 111.155 0.30 . 1 . . . . 151 R CA . 19481 1 453 . 1 1 152 152 VAL H H 1 7.278 0.02 . 1 . . . . 151 R N . 19481 1 454 . 1 1 152 152 VAL CA C 13 60.171 0.30 . 1 . . . . 152 V H . 19481 1 455 . 1 1 153 153 SER N N 15 116.152 0.30 . 1 . . . . 152 V CA . 19481 1 456 . 1 1 153 153 SER H H 1 7.536 0.02 . 1 . . . . 152 V N . 19481 1 457 . 1 1 153 153 SER CA C 13 58.227 0.30 . 1 . . . . 153 S H . 19481 1 458 . 1 1 154 154 ASP N N 15 120.290 0.30 . 1 . . . . 153 S CA . 19481 1 459 . 1 1 154 154 ASP H H 1 8.857 0.02 . 1 . . . . 153 S N . 19481 1 460 . 1 1 154 154 ASP CA C 13 55.292 0.30 . 1 . . . . 154 D H . 19481 1 461 . 1 1 155 155 ASP N N 15 118.354 0.30 . 1 . . . . 154 D CA . 19481 1 462 . 1 1 155 155 ASP H H 1 8.543 0.02 . 1 . . . . 154 D N . 19481 1 463 . 1 1 155 155 ASP CA C 13 54.323 0.30 . 1 . . . . 155 D H . 19481 1 464 . 1 1 156 156 VAL N N 15 120.567 0.30 . 1 . . . . 155 D CA . 19481 1 465 . 1 1 156 156 VAL H H 1 7.974 0.02 . 1 . . . . 155 D N . 19481 1 466 . 1 1 156 156 VAL CA C 13 62.558 0.30 . 1 . . . . 156 V H . 19481 1 467 . 1 1 156 156 VAL CB C 13 32.080 0.30 . 1 . . . . 156 V CA . 19481 1 468 . 1 1 157 157 ARG N N 15 126.396 0.30 . 1 . . . . 156 V CB . 19481 1 469 . 1 1 157 157 ARG H H 1 9.150 0.02 . 1 . . . . 156 V N . 19481 1 470 . 1 1 157 157 ARG CA C 13 54.914 0.30 . 1 . . . . 157 R H . 19481 1 471 . 1 1 158 158 SER N N 15 115.697 0.30 . 1 . . . . 157 R CA . 19481 1 472 . 1 1 158 158 SER H H 1 8.770 0.02 . 1 . . . . 157 R N . 19481 1 473 . 1 1 158 158 SER CA C 13 59.691 0.30 . 1 . . . . 158 S H . 19481 1 474 . 1 1 159 159 ALA N N 15 130.748 0.30 . 1 . . . . 158 S CA . 19481 1 475 . 1 1 159 159 ALA H H 1 7.810 0.02 . 1 . . . . 158 S N . 19481 1 476 . 1 1 159 159 ALA CA C 13 53.286 0.30 . 1 . . . . 159 A H . 19481 1 477 . 1 1 159 159 ALA CB C 13 21.864 0.30 . 1 . . . . 159 A CA . 19481 1 stop_ save_