data_1580 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1580 _Entry.Title ; Hydrogen-1, Carbon-13, Nitrogen-15 NMR Spectroscopy of Anabaena 7120 Flavodoxin: Assignment of beta-Sheet and Flavin Binding Site Resonances and Analysis of Protein-Flavin Interactions ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Brian Stockman . J. . 1580 2 Andrzej Krezel . M. . 1580 3 John Markley . L. . 1580 4 Karin Leonhardt . G. . 1580 5 Neil Straus . A. . 1580 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1580 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 108 1580 '15N chemical shifts' 3 1580 '1H chemical shifts' 210 1580 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 5 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1580 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1580 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1580 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1580 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1580 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1580 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Stockman, Brian J., Krezel, Andrzej M., Markley, John L., Leonhardt, Karin G., Straus, Neil A., "Hydrogen-1, Carbon-13, Nitrogen-15 NMR Spectroscopy of Anabaena 7120 Flavodoxin: Assignment of beta-Sheet and Flavin Binding Site Resonances and Analysis of Protein-Flavin Interactions," Biochemistry 29 (41), 9600-9609 (1990). ; _Citation.Title ; Hydrogen-1, Carbon-13, Nitrogen-15 NMR Spectroscopy of Anabaena 7120 Flavodoxin: Assignment of beta-Sheet and Flavin Binding Site Resonances and Analysis of Protein-Flavin Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 41 _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 9600 _Citation.Page_last 9609 _Citation.Year 1990 _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 Brian Stockman . J. . 1580 1 2 Andrzej Krezel . M. . 1580 1 3 John Markley . L. . 1580 1 4 Karin Leonhardt . G. . 1580 1 5 Neil Straus . A. . 1580 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_flavodoxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_flavodoxin _Assembly.Entry_ID 1580 _Assembly.ID 1 _Assembly.Name flavodoxin _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 flavodoxin 1 $flavodoxin . . . . . . . . . 1580 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID flavodoxin system 1580 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_flavodoxin _Entity.Sf_category entity _Entity.Sf_framecode flavodoxin _Entity.Entry_ID 1580 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name flavodoxin _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 ; SKKIGLFYGTQTGKTESVAE IIRDEFGNDVVTLHDVSQAE VTDLNDYQYLIIGCPTWNIG ELQSDWEGLYSELDDVDFNG KLVAYFGTGDQIGYADNFQD AIGILEEKISQRGGKTVGYW STDGYDFNDSKALRNGKFVG LALDEDNQSDLTDDRIKSWV AQLKSEFGL ; _Entity.Polymer_seq_one_letter_code ; SKKIGLFYGTQTGKTESVAE IIRDEFGNDVVTLHDVSQAE VTDLNDYQYLIIGCPTWNIG ELQSDWEGLYSELDDVDFNG KLVAYFGTGDQIGYADNFQD AIGILEEKISQRGGKTVGYW STDGYDFNDSKALRNGKFVG LALDEDNQSDLTDDRIKSWV AQLKSEFGL ; _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 169 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 16593 . F98N-fdx . . . . . 100.00 169 99.41 100.00 1.57e-115 . . . . 1580 1 2 no PDB 1DX9 . "W57a Apoflavodoxin From Anabaena" . . . . . 100.00 169 99.41 99.41 9.71e-115 . . . . 1580 1 3 no PDB 1FLV . "Structure Of The Oxidized Long Chain Flavodoxin From Anabaena 7120 At 2 Angstroms Resolution" . . . . . 100.00 169 100.00 100.00 7.13e-116 . . . . 1580 1 4 no PDB 1FTG . "Structure Of Apoflavodoxin: Closure Of A TyrosineTRYPTOPHAN AROMATIC Gate Leads To A Compact Fold" . . . . . 99.41 168 100.00 100.00 2.27e-115 . . . . 1580 1 5 no PDB 1OBO . "W57l Flavodoxin From Anabaena" . . . . . 100.00 169 98.82 99.41 2.16e-114 . . . . 1580 1 6 no PDB 1OBV . "Y94f Flavodoxin From Anabaena" . . . . . 100.00 169 98.82 100.00 4.23e-115 . . . . 1580 1 7 no PDB 1QHE . "Energetics Of A Hydrogen Bond (Charged And Neutral) And Of A Cation-Pi Interaction In Apoflavodoxin" . . . . . 99.41 168 100.00 100.00 2.27e-115 . . . . 1580 1 8 no PDB 1RCF . "Structure Of The Trigonal Form Of Recombinant Oxidized Flavodoxin From Anabaena 7120 At 1.40 Angstroms Resolution" . . . . . 100.00 169 100.00 100.00 7.13e-116 . . . . 1580 1 9 no PDB 2KQU . "F98n Apoflavodoxin From Anabaena Pcc 7119" . . . . . 100.00 169 98.82 99.41 3.27e-114 . . . . 1580 1 10 no PDB 2V5U . "I92a Flavodoxin From Anabaena" . . . . . 100.00 169 98.82 99.41 7.47e-115 . . . . 1580 1 11 no PDB 2V5V . "W57e Flavodoxin From Anabaena" . . . . . 100.00 169 98.82 99.41 4.34e-114 . . . . 1580 1 12 no PDB 3ESX . "E16ke61kd126kd150k Flavodoxin From Anabaena" . . . . . 100.00 169 97.63 98.82 2.75e-113 . . . . 1580 1 13 no PDB 3ESY . "E16ke61k Flavodoxin From Anabaena" . . . . . 100.00 169 98.82 100.00 8.24e-115 . . . . 1580 1 14 no PDB 3ESZ . "K2ak3a Flavodoxin From Anabaena" . . . . . 100.00 169 98.82 98.82 1.62e-114 . . . . 1580 1 15 no DBJ BAB74104 . "flavodoxin [Nostoc sp. PCC 7120]" . . . . . 100.00 170 100.00 100.00 3.55e-116 . . . . 1580 1 16 no EMBL CAA32720 . "flavodoxin ORF [Nostoc sp. PCC 7120]" . . . . . 100.00 170 100.00 100.00 3.55e-116 . . . . 1580 1 17 no GB AAB20462 . "flavodoxin [Anabaena]" . . . . . 100.00 170 100.00 100.00 3.55e-116 . . . . 1580 1 18 no PIR S04600 . "flavodoxin - Anabaena variabilis" . . . . . 100.00 170 100.00 100.00 3.55e-116 . . . . 1580 1 19 no PIR S18374 . "flavodoxin - Anabaena sp. (PCC 7119) (fragment)" . . . . . 99.41 168 100.00 100.00 2.27e-115 . . . . 1580 1 20 no REF WP_010996561 . "flavodoxin [Nostoc sp. PCC 7120]" . . . . . 100.00 170 100.00 100.00 3.55e-116 . . . . 1580 1 21 no SP P0A3D9 . "RecName: Full=Flavodoxin" . . . . . 100.00 170 100.00 100.00 3.55e-116 . . . . 1580 1 22 no SP P0A3E0 . "RecName: Full=Flavodoxin" . . . . . 100.00 170 100.00 100.00 3.55e-116 . . . . 1580 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID flavodoxin common 1580 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 . SER . 1580 1 2 . LYS . 1580 1 3 . LYS . 1580 1 4 . ILE . 1580 1 5 . GLY . 1580 1 6 . LEU . 1580 1 7 . PHE . 1580 1 8 . TYR . 1580 1 9 . GLY . 1580 1 10 . THR . 1580 1 11 . GLN . 1580 1 12 . THR . 1580 1 13 . GLY . 1580 1 14 . LYS . 1580 1 15 . THR . 1580 1 16 . GLU . 1580 1 17 . SER . 1580 1 18 . VAL . 1580 1 19 . ALA . 1580 1 20 . GLU . 1580 1 21 . ILE . 1580 1 22 . ILE . 1580 1 23 . ARG . 1580 1 24 . ASP . 1580 1 25 . GLU . 1580 1 26 . PHE . 1580 1 27 . GLY . 1580 1 28 . ASN . 1580 1 29 . ASP . 1580 1 30 . VAL . 1580 1 31 . VAL . 1580 1 32 . THR . 1580 1 33 . LEU . 1580 1 34 . HIS . 1580 1 35 . ASP . 1580 1 36 . VAL . 1580 1 37 . SER . 1580 1 38 . GLN . 1580 1 39 . ALA . 1580 1 40 . GLU . 1580 1 41 . VAL . 1580 1 42 . THR . 1580 1 43 . ASP . 1580 1 44 . LEU . 1580 1 45 . ASN . 1580 1 46 . ASP . 1580 1 47 . TYR . 1580 1 48 . GLN . 1580 1 49 . TYR . 1580 1 50 . LEU . 1580 1 51 . ILE . 1580 1 52 . ILE . 1580 1 53 . GLY . 1580 1 54 . CYS . 1580 1 55 . PRO . 1580 1 56 . THR . 1580 1 57 . TRP . 1580 1 58 . ASN . 1580 1 59 . ILE . 1580 1 60 . GLY . 1580 1 61 . GLU . 1580 1 62 . LEU . 1580 1 63 . GLN . 1580 1 64 . SER . 1580 1 65 . ASP . 1580 1 66 . TRP . 1580 1 67 . GLU . 1580 1 68 . GLY . 1580 1 69 . LEU . 1580 1 70 . TYR . 1580 1 71 . SER . 1580 1 72 . GLU . 1580 1 73 . LEU . 1580 1 74 . ASP . 1580 1 75 . ASP . 1580 1 76 . VAL . 1580 1 77 . ASP . 1580 1 78 . PHE . 1580 1 79 . ASN . 1580 1 80 . GLY . 1580 1 81 . LYS . 1580 1 82 . LEU . 1580 1 83 . VAL . 1580 1 84 . ALA . 1580 1 85 . TYR . 1580 1 86 . PHE . 1580 1 87 . GLY . 1580 1 88 . THR . 1580 1 89 . GLY . 1580 1 90 . ASP . 1580 1 91 . GLN . 1580 1 92 . ILE . 1580 1 93 . GLY . 1580 1 94 . TYR . 1580 1 95 . ALA . 1580 1 96 . ASP . 1580 1 97 . ASN . 1580 1 98 . PHE . 1580 1 99 . GLN . 1580 1 100 . ASP . 1580 1 101 . ALA . 1580 1 102 . ILE . 1580 1 103 . GLY . 1580 1 104 . ILE . 1580 1 105 . LEU . 1580 1 106 . GLU . 1580 1 107 . GLU . 1580 1 108 . LYS . 1580 1 109 . ILE . 1580 1 110 . SER . 1580 1 111 . GLN . 1580 1 112 . ARG . 1580 1 113 . GLY . 1580 1 114 . GLY . 1580 1 115 . LYS . 1580 1 116 . THR . 1580 1 117 . VAL . 1580 1 118 . GLY . 1580 1 119 . TYR . 1580 1 120 . TRP . 1580 1 121 . SER . 1580 1 122 . THR . 1580 1 123 . ASP . 1580 1 124 . GLY . 1580 1 125 . TYR . 1580 1 126 . ASP . 1580 1 127 . PHE . 1580 1 128 . ASN . 1580 1 129 . ASP . 1580 1 130 . SER . 1580 1 131 . LYS . 1580 1 132 . ALA . 1580 1 133 . LEU . 1580 1 134 . ARG . 1580 1 135 . ASN . 1580 1 136 . GLY . 1580 1 137 . LYS . 1580 1 138 . PHE . 1580 1 139 . VAL . 1580 1 140 . GLY . 1580 1 141 . LEU . 1580 1 142 . ALA . 1580 1 143 . LEU . 1580 1 144 . ASP . 1580 1 145 . GLU . 1580 1 146 . ASP . 1580 1 147 . ASN . 1580 1 148 . GLN . 1580 1 149 . SER . 1580 1 150 . ASP . 1580 1 151 . LEU . 1580 1 152 . THR . 1580 1 153 . ASP . 1580 1 154 . ASP . 1580 1 155 . ARG . 1580 1 156 . ILE . 1580 1 157 . LYS . 1580 1 158 . SER . 1580 1 159 . TRP . 1580 1 160 . VAL . 1580 1 161 . ALA . 1580 1 162 . GLN . 1580 1 163 . LEU . 1580 1 164 . LYS . 1580 1 165 . SER . 1580 1 166 . GLU . 1580 1 167 . PHE . 1580 1 168 . GLY . 1580 1 169 . LEU . 1580 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 . SER 1 1 1580 1 . LYS 2 2 1580 1 . LYS 3 3 1580 1 . ILE 4 4 1580 1 . GLY 5 5 1580 1 . LEU 6 6 1580 1 . PHE 7 7 1580 1 . TYR 8 8 1580 1 . GLY 9 9 1580 1 . THR 10 10 1580 1 . GLN 11 11 1580 1 . THR 12 12 1580 1 . GLY 13 13 1580 1 . LYS 14 14 1580 1 . THR 15 15 1580 1 . GLU 16 16 1580 1 . SER 17 17 1580 1 . VAL 18 18 1580 1 . ALA 19 19 1580 1 . GLU 20 20 1580 1 . ILE 21 21 1580 1 . ILE 22 22 1580 1 . ARG 23 23 1580 1 . ASP 24 24 1580 1 . GLU 25 25 1580 1 . PHE 26 26 1580 1 . GLY 27 27 1580 1 . ASN 28 28 1580 1 . ASP 29 29 1580 1 . VAL 30 30 1580 1 . VAL 31 31 1580 1 . THR 32 32 1580 1 . LEU 33 33 1580 1 . HIS 34 34 1580 1 . ASP 35 35 1580 1 . VAL 36 36 1580 1 . SER 37 37 1580 1 . GLN 38 38 1580 1 . ALA 39 39 1580 1 . GLU 40 40 1580 1 . VAL 41 41 1580 1 . THR 42 42 1580 1 . ASP 43 43 1580 1 . LEU 44 44 1580 1 . ASN 45 45 1580 1 . ASP 46 46 1580 1 . TYR 47 47 1580 1 . GLN 48 48 1580 1 . TYR 49 49 1580 1 . LEU 50 50 1580 1 . ILE 51 51 1580 1 . ILE 52 52 1580 1 . GLY 53 53 1580 1 . CYS 54 54 1580 1 . PRO 55 55 1580 1 . THR 56 56 1580 1 . TRP 57 57 1580 1 . ASN 58 58 1580 1 . ILE 59 59 1580 1 . GLY 60 60 1580 1 . GLU 61 61 1580 1 . LEU 62 62 1580 1 . GLN 63 63 1580 1 . SER 64 64 1580 1 . ASP 65 65 1580 1 . TRP 66 66 1580 1 . GLU 67 67 1580 1 . GLY 68 68 1580 1 . LEU 69 69 1580 1 . TYR 70 70 1580 1 . SER 71 71 1580 1 . GLU 72 72 1580 1 . LEU 73 73 1580 1 . ASP 74 74 1580 1 . ASP 75 75 1580 1 . VAL 76 76 1580 1 . ASP 77 77 1580 1 . PHE 78 78 1580 1 . ASN 79 79 1580 1 . GLY 80 80 1580 1 . LYS 81 81 1580 1 . LEU 82 82 1580 1 . VAL 83 83 1580 1 . ALA 84 84 1580 1 . TYR 85 85 1580 1 . PHE 86 86 1580 1 . GLY 87 87 1580 1 . THR 88 88 1580 1 . GLY 89 89 1580 1 . ASP 90 90 1580 1 . GLN 91 91 1580 1 . ILE 92 92 1580 1 . GLY 93 93 1580 1 . TYR 94 94 1580 1 . ALA 95 95 1580 1 . ASP 96 96 1580 1 . ASN 97 97 1580 1 . PHE 98 98 1580 1 . GLN 99 99 1580 1 . ASP 100 100 1580 1 . ALA 101 101 1580 1 . ILE 102 102 1580 1 . GLY 103 103 1580 1 . ILE 104 104 1580 1 . LEU 105 105 1580 1 . GLU 106 106 1580 1 . GLU 107 107 1580 1 . LYS 108 108 1580 1 . ILE 109 109 1580 1 . SER 110 110 1580 1 . GLN 111 111 1580 1 . ARG 112 112 1580 1 . GLY 113 113 1580 1 . GLY 114 114 1580 1 . LYS 115 115 1580 1 . THR 116 116 1580 1 . VAL 117 117 1580 1 . GLY 118 118 1580 1 . TYR 119 119 1580 1 . TRP 120 120 1580 1 . SER 121 121 1580 1 . THR 122 122 1580 1 . ASP 123 123 1580 1 . GLY 124 124 1580 1 . TYR 125 125 1580 1 . ASP 126 126 1580 1 . PHE 127 127 1580 1 . ASN 128 128 1580 1 . ASP 129 129 1580 1 . SER 130 130 1580 1 . LYS 131 131 1580 1 . ALA 132 132 1580 1 . LEU 133 133 1580 1 . ARG 134 134 1580 1 . ASN 135 135 1580 1 . GLY 136 136 1580 1 . LYS 137 137 1580 1 . PHE 138 138 1580 1 . VAL 139 139 1580 1 . GLY 140 140 1580 1 . LEU 141 141 1580 1 . ALA 142 142 1580 1 . LEU 143 143 1580 1 . ASP 144 144 1580 1 . GLU 145 145 1580 1 . ASP 146 146 1580 1 . ASN 147 147 1580 1 . GLN 148 148 1580 1 . SER 149 149 1580 1 . ASP 150 150 1580 1 . LEU 151 151 1580 1 . THR 152 152 1580 1 . ASP 153 153 1580 1 . ASP 154 154 1580 1 . ARG 155 155 1580 1 . ILE 156 156 1580 1 . LYS 157 157 1580 1 . SER 158 158 1580 1 . TRP 159 159 1580 1 . VAL 160 160 1580 1 . ALA 161 161 1580 1 . GLN 162 162 1580 1 . LEU 163 163 1580 1 . LYS 164 164 1580 1 . SER 165 165 1580 1 . GLU 166 166 1580 1 . PHE 167 167 1580 1 . GLY 168 168 1580 1 . LEU 169 169 1580 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 1580 _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 $flavodoxin . 1180 organism . 'Nostoc sp.' . . . Bacteria . Nostoc sp. . . . . . . . . . . . . . . . . . . . . . 1580 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 1580 _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 $flavodoxin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1580 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1580 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1580 _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 7.5 . na 1580 1 temperature 299 . K 1580 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1580 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 1580 _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 unknown unknown . 0 'spectrometer information not available' . . 1580 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 1580 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1580 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1580 _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 . TMS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1580 1 H . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1580 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1580 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1580 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 1580 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 5 5 GLY H H 1 8.08 . . 1 . . . . . . . . 1580 1 2 . 1 1 5 5 GLY HA2 H 1 4 . . 1 . . . . . . . . 1580 1 3 . 1 1 5 5 GLY HA3 H 1 4 . . 1 . . . . . . . . 1580 1 4 . 1 1 6 6 LEU H H 1 8.87 . . 1 . . . . . . . . 1580 1 5 . 1 1 6 6 LEU CA C 13 51.8 . . 1 . . . . . . . . 1580 1 6 . 1 1 6 6 LEU HA H 1 5.96 . . 1 . . . . . . . . 1580 1 7 . 1 1 6 6 LEU CB C 13 42.2 . . 1 . . . . . . . . 1580 1 8 . 1 1 6 6 LEU HB2 H 1 1.9 . . 2 . . . . . . . . 1580 1 9 . 1 1 6 6 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 1580 1 10 . 1 1 7 7 PHE H H 1 9.52 . . 1 . . . . . . . . 1580 1 11 . 1 1 7 7 PHE CA C 13 53.8 . . 1 . . . . . . . . 1580 1 12 . 1 1 7 7 PHE HA H 1 5.54 . . 1 . . . . . . . . 1580 1 13 . 1 1 7 7 PHE CB C 13 38.9 . . 1 . . . . . . . . 1580 1 14 . 1 1 7 7 PHE HB2 H 1 3.21 . . 2 . . . . . . . . 1580 1 15 . 1 1 7 7 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 1580 1 16 . 1 1 8 8 TYR H H 1 8.94 . . 1 . . . . . . . . 1580 1 17 . 1 1 8 8 TYR CA C 13 52.8 . . 1 . . . . . . . . 1580 1 18 . 1 1 8 8 TYR HA H 1 6.65 . . 1 . . . . . . . . 1580 1 19 . 1 1 9 9 GLY H H 1 8.93 . . 1 . . . . . . . . 1580 1 20 . 1 1 9 9 GLY CA C 13 41.6 . . 1 . . . . . . . . 1580 1 21 . 1 1 9 9 GLY HA2 H 1 4.91 . . 2 . . . . . . . . 1580 1 22 . 1 1 9 9 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 1580 1 23 . 1 1 33 33 LEU HA H 1 4.79 . . 1 . . . . . . . . 1580 1 24 . 1 1 34 34 HIS H H 1 9.24 . . 1 . . . . . . . . 1580 1 25 . 1 1 34 34 HIS HA H 1 4.26 . . 1 . . . . . . . . 1580 1 26 . 1 1 34 34 HIS CB C 13 29.6 . . 1 . . . . . . . . 1580 1 27 . 1 1 34 34 HIS CG C 13 126.8 . . 1 . . . . . . . . 1580 1 28 . 1 1 34 34 HIS ND1 N 15 177.5 . . 1 . . . . . . . . 1580 1 29 . 1 1 34 34 HIS CD2 C 13 123.5 . . 1 . . . . . . . . 1580 1 30 . 1 1 34 34 HIS CE1 C 13 134.6 . . 1 . . . . . . . . 1580 1 31 . 1 1 34 34 HIS NE2 N 15 231.5 . . 1 . . . . . . . . 1580 1 32 . 1 1 34 34 HIS HD2 H 1 5.83 . . 1 . . . . . . . . 1580 1 33 . 1 1 34 34 HIS HE1 H 1 7.78 . . 1 . . . . . . . . 1580 1 34 . 1 1 35 35 ASP H H 1 8.26 . . 1 . . . . . . . . 1580 1 35 . 1 1 35 35 ASP HA H 1 3.71 . . 1 . . . . . . . . 1580 1 36 . 1 1 36 36 VAL H H 1 9.16 . . 1 . . . . . . . . 1580 1 37 . 1 1 36 36 VAL CA C 13 62.7 . . 1 . . . . . . . . 1580 1 38 . 1 1 36 36 VAL HA H 1 3.7 . . 1 . . . . . . . . 1580 1 39 . 1 1 36 36 VAL CB C 13 28.3 . . 1 . . . . . . . . 1580 1 40 . 1 1 36 36 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 1580 1 41 . 1 1 36 36 VAL CG2 C 13 15.5 . . 2 . . . . . . . . 1580 1 42 . 1 1 36 36 VAL HB H 1 1.61 . . 1 . . . . . . . . 1580 1 43 . 1 1 36 36 VAL HG11 H 1 .07 . . 2 . . . . . . . . 1580 1 44 . 1 1 36 36 VAL HG12 H 1 .07 . . 2 . . . . . . . . 1580 1 45 . 1 1 36 36 VAL HG13 H 1 .07 . . 2 . . . . . . . . 1580 1 46 . 1 1 36 36 VAL HG21 H 1 .14 . . 2 . . . . . . . . 1580 1 47 . 1 1 36 36 VAL HG22 H 1 .14 . . 2 . . . . . . . . 1580 1 48 . 1 1 36 36 VAL HG23 H 1 .14 . . 2 . . . . . . . . 1580 1 49 . 1 1 49 49 TYR H H 1 6.99 . . 1 . . . . . . . . 1580 1 50 . 1 1 49 49 TYR CA C 13 52.7 . . 1 . . . . . . . . 1580 1 51 . 1 1 49 49 TYR HA H 1 5.27 . . 1 . . . . . . . . 1580 1 52 . 1 1 49 49 TYR CB C 13 37.7 . . 1 . . . . . . . . 1580 1 53 . 1 1 49 49 TYR CG C 13 128.2 . . 1 . . . . . . . . 1580 1 54 . 1 1 49 49 TYR HB2 H 1 2.69 . . 1 . . . . . . . . 1580 1 55 . 1 1 49 49 TYR HB3 H 1 2.69 . . 1 . . . . . . . . 1580 1 56 . 1 1 49 49 TYR CD1 C 13 130.9 . . 1 . . . . . . . . 1580 1 57 . 1 1 49 49 TYR CD2 C 13 130.9 . . 1 . . . . . . . . 1580 1 58 . 1 1 49 49 TYR CE1 C 13 115.7 . . 1 . . . . . . . . 1580 1 59 . 1 1 49 49 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 1580 1 60 . 1 1 49 49 TYR CE2 C 13 115.7 . . 1 . . . . . . . . 1580 1 61 . 1 1 49 49 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 1580 1 62 . 1 1 49 49 TYR CZ C 13 155 . . 1 . . . . . . . . 1580 1 63 . 1 1 49 49 TYR HE1 H 1 6.92 . . 1 . . . . . . . . 1580 1 64 . 1 1 49 49 TYR HE2 H 1 6.92 . . 1 . . . . . . . . 1580 1 65 . 1 1 50 50 LEU H H 1 8.95 . . 1 . . . . . . . . 1580 1 66 . 1 1 50 50 LEU CA C 13 50.8 . . 1 . . . . . . . . 1580 1 67 . 1 1 50 50 LEU HA H 1 5.6 . . 1 . . . . . . . . 1580 1 68 . 1 1 50 50 LEU CB C 13 47 . . 1 . . . . . . . . 1580 1 69 . 1 1 50 50 LEU CG C 13 25.7 . . 1 . . . . . . . . 1580 1 70 . 1 1 50 50 LEU HB2 H 1 1.96 . . 2 . . . . . . . . 1580 1 71 . 1 1 50 50 LEU HB3 H 1 1.39 . . 2 . . . . . . . . 1580 1 72 . 1 1 50 50 LEU CD1 C 13 25.4 . . 2 . . . . . . . . 1580 1 73 . 1 1 50 50 LEU CD2 C 13 24.7 . . 2 . . . . . . . . 1580 1 74 . 1 1 50 50 LEU HD11 H 1 1.17 . . 2 . . . . . . . . 1580 1 75 . 1 1 50 50 LEU HD12 H 1 1.17 . . 2 . . . . . . . . 1580 1 76 . 1 1 50 50 LEU HD13 H 1 1.17 . . 2 . . . . . . . . 1580 1 77 . 1 1 50 50 LEU HD21 H 1 1.04 . . 2 . . . . . . . . 1580 1 78 . 1 1 50 50 LEU HD22 H 1 1.04 . . 2 . . . . . . . . 1580 1 79 . 1 1 50 50 LEU HD23 H 1 1.04 . . 2 . . . . . . . . 1580 1 80 . 1 1 51 51 ILE H H 1 9.05 . . 1 . . . . . . . . 1580 1 81 . 1 1 51 51 ILE CA C 13 58.2 . . 1 . . . . . . . . 1580 1 82 . 1 1 51 51 ILE HA H 1 5 . . 1 . . . . . . . . 1580 1 83 . 1 1 51 51 ILE CB C 13 39.3 . . 1 . . . . . . . . 1580 1 84 . 1 1 51 51 ILE CG1 C 13 25.5 . . 1 . . . . . . . . 1580 1 85 . 1 1 51 51 ILE CG2 C 13 17.1 . . 1 . . . . . . . . 1580 1 86 . 1 1 51 51 ILE HB H 1 1.52 . . 1 . . . . . . . . 1580 1 87 . 1 1 51 51 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 1580 1 88 . 1 1 51 51 ILE HG12 H 1 1.63 . . 2 . . . . . . . . 1580 1 89 . 1 1 51 51 ILE HG13 H 1 1.03 . . 2 . . . . . . . . 1580 1 90 . 1 1 51 51 ILE HD11 H 1 .74 . . 1 . . . . . . . . 1580 1 91 . 1 1 51 51 ILE HD12 H 1 .74 . . 1 . . . . . . . . 1580 1 92 . 1 1 51 51 ILE HD13 H 1 .74 . . 1 . . . . . . . . 1580 1 93 . 1 1 52 52 ILE H H 1 9.65 . . 1 . . . . . . . . 1580 1 94 . 1 1 52 52 ILE CA C 13 55.7 . . 1 . . . . . . . . 1580 1 95 . 1 1 52 52 ILE HA H 1 5.01 . . 1 . . . . . . . . 1580 1 96 . 1 1 52 52 ILE CB C 13 35.3 . . 1 . . . . . . . . 1580 1 97 . 1 1 52 52 ILE CG1 C 13 24.6 . . 1 . . . . . . . . 1580 1 98 . 1 1 52 52 ILE CG2 C 13 15.8 . . 1 . . . . . . . . 1580 1 99 . 1 1 52 52 ILE HB H 1 1.9 . . 1 . . . . . . . . 1580 1 100 . 1 1 52 52 ILE CD1 C 13 8.3 . . 1 . . . . . . . . 1580 1 101 . 1 1 52 52 ILE HG12 H 1 1.31 . . 2 . . . . . . . . 1580 1 102 . 1 1 52 52 ILE HG13 H 1 .94 . . 2 . . . . . . . . 1580 1 103 . 1 1 52 52 ILE HD11 H 1 .84 . . 1 . . . . . . . . 1580 1 104 . 1 1 52 52 ILE HD12 H 1 .84 . . 1 . . . . . . . . 1580 1 105 . 1 1 52 52 ILE HD13 H 1 .84 . . 1 . . . . . . . . 1580 1 106 . 1 1 53 53 GLY H H 1 9.33 . . 1 . . . . . . . . 1580 1 107 . 1 1 53 53 GLY CA C 13 41.6 . . 1 . . . . . . . . 1580 1 108 . 1 1 53 53 GLY HA2 H 1 4.62 . . 2 . . . . . . . . 1580 1 109 . 1 1 53 53 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 1580 1 110 . 1 1 54 54 CYS H H 1 8.16 . . 1 . . . . . . . . 1580 1 111 . 1 1 54 54 CYS CA C 13 55 . . 1 . . . . . . . . 1580 1 112 . 1 1 54 54 CYS HA H 1 5.35 . . 1 . . . . . . . . 1580 1 113 . 1 1 55 55 PRO CA C 13 60.5 . . 1 . . . . . . . . 1580 1 114 . 1 1 55 55 PRO HA H 1 5.5 . . 1 . . . . . . . . 1580 1 115 . 1 1 56 56 THR H H 1 6.69 . . 1 . . . . . . . . 1580 1 116 . 1 1 56 56 THR CA C 13 59.9 . . 1 . . . . . . . . 1580 1 117 . 1 1 56 56 THR HA H 1 4.63 . . 1 . . . . . . . . 1580 1 118 . 1 1 56 56 THR CB C 13 67 . . 1 . . . . . . . . 1580 1 119 . 1 1 56 56 THR CG2 C 13 20.4 . . 1 . . . . . . . . 1580 1 120 . 1 1 56 56 THR HB H 1 3.64 . . 1 . . . . . . . . 1580 1 121 . 1 1 56 56 THR HG21 H 1 1.3 . . 1 . . . . . . . . 1580 1 122 . 1 1 56 56 THR HG22 H 1 1.3 . . 1 . . . . . . . . 1580 1 123 . 1 1 56 56 THR HG23 H 1 1.3 . . 1 . . . . . . . . 1580 1 124 . 1 1 57 57 TRP H H 1 8.64 . . 1 . . . . . . . . 1580 1 125 . 1 1 57 57 TRP CA C 13 54.2 . . 1 . . . . . . . . 1580 1 126 . 1 1 57 57 TRP HA H 1 2.94 . . 1 . . . . . . . . 1580 1 127 . 1 1 57 57 TRP CB C 13 32 . . 1 . . . . . . . . 1580 1 128 . 1 1 57 57 TRP CG C 13 112 . . 1 . . . . . . . . 1580 1 129 . 1 1 57 57 TRP CD1 C 13 119.5 . . 1 . . . . . . . . 1580 1 130 . 1 1 57 57 TRP CD2 C 13 126.2 . . 1 . . . . . . . . 1580 1 131 . 1 1 57 57 TRP NE1 N 15 131.6 . . 1 . . . . . . . . 1580 1 132 . 1 1 57 57 TRP HD1 H 1 6.4 . . 1 . . . . . . . . 1580 1 133 . 1 1 57 57 TRP CE2 C 13 137.3 . . 1 . . . . . . . . 1580 1 134 . 1 1 57 57 TRP HE1 H 1 11.05 . . 1 . . . . . . . . 1580 1 135 . 1 1 57 57 TRP CE3 C 13 116.5 . . 1 . . . . . . . . 1580 1 136 . 1 1 57 57 TRP CZ2 C 13 114 . . 1 . . . . . . . . 1580 1 137 . 1 1 57 57 TRP CZ3 C 13 120.4 . . 1 . . . . . . . . 1580 1 138 . 1 1 57 57 TRP HE3 H 1 6.97 . . 1 . . . . . . . . 1580 1 139 . 1 1 57 57 TRP CH2 C 13 122.8 . . 1 . . . . . . . . 1580 1 140 . 1 1 57 57 TRP HZ2 H 1 8.13 . . 1 . . . . . . . . 1580 1 141 . 1 1 57 57 TRP HZ3 H 1 7.09 . . 1 . . . . . . . . 1580 1 142 . 1 1 57 57 TRP HH2 H 1 7.35 . . 1 . . . . . . . . 1580 1 143 . 1 1 58 58 ASN H H 1 6.41 . . 1 . . . . . . . . 1580 1 144 . 1 1 59 59 ILE H H 1 8.17 . . 1 . . . . . . . . 1580 1 145 . 1 1 59 59 ILE CA C 13 57.2 . . 1 . . . . . . . . 1580 1 146 . 1 1 59 59 ILE HA H 1 3.93 . . 1 . . . . . . . . 1580 1 147 . 1 1 59 59 ILE CB C 13 32.2 . . 1 . . . . . . . . 1580 1 148 . 1 1 59 59 ILE CG1 C 13 26.3 . . 1 . . . . . . . . 1580 1 149 . 1 1 59 59 ILE CG2 C 13 18 . . 1 . . . . . . . . 1580 1 150 . 1 1 59 59 ILE HB H 1 2.73 . . 1 . . . . . . . . 1580 1 151 . 1 1 59 59 ILE CD1 C 13 11.9 . . 1 . . . . . . . . 1580 1 152 . 1 1 59 59 ILE HG12 H 1 1.28 . . 1 . . . . . . . . 1580 1 153 . 1 1 59 59 ILE HG13 H 1 1.28 . . 1 . . . . . . . . 1580 1 154 . 1 1 59 59 ILE HG21 H 1 1 . . 1 . . . . . . . . 1580 1 155 . 1 1 59 59 ILE HG22 H 1 1 . . 1 . . . . . . . . 1580 1 156 . 1 1 59 59 ILE HG23 H 1 1 . . 1 . . . . . . . . 1580 1 157 . 1 1 59 59 ILE HD11 H 1 .96 . . 1 . . . . . . . . 1580 1 158 . 1 1 59 59 ILE HD12 H 1 .96 . . 1 . . . . . . . . 1580 1 159 . 1 1 59 59 ILE HD13 H 1 .96 . . 1 . . . . . . . . 1580 1 160 . 1 1 81 81 LYS H H 1 7.53 . . 1 . . . . . . . . 1580 1 161 . 1 1 81 81 LYS HA H 1 4.9 . . 1 . . . . . . . . 1580 1 162 . 1 1 82 82 LEU H H 1 8.05 . . 1 . . . . . . . . 1580 1 163 . 1 1 82 82 LEU CA C 13 52.5 . . 1 . . . . . . . . 1580 1 164 . 1 1 82 82 LEU HA H 1 5.5 . . 1 . . . . . . . . 1580 1 165 . 1 1 82 82 LEU CB C 13 42.4 . . 1 . . . . . . . . 1580 1 166 . 1 1 82 82 LEU HB2 H 1 2.21 . . 2 . . . . . . . . 1580 1 167 . 1 1 82 82 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 1580 1 168 . 1 1 83 83 VAL H H 1 8.99 . . 1 . . . . . . . . 1580 1 169 . 1 1 83 83 VAL CA C 13 59 . . 1 . . . . . . . . 1580 1 170 . 1 1 83 83 VAL HA H 1 5.06 . . 1 . . . . . . . . 1580 1 171 . 1 1 83 83 VAL CB C 13 32.4 . . 1 . . . . . . . . 1580 1 172 . 1 1 83 83 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 1580 1 173 . 1 1 83 83 VAL CG2 C 13 18.5 . . 2 . . . . . . . . 1580 1 174 . 1 1 83 83 VAL HB H 1 1.94 . . 1 . . . . . . . . 1580 1 175 . 1 1 83 83 VAL HG11 H 1 .75 . . 2 . . . . . . . . 1580 1 176 . 1 1 83 83 VAL HG12 H 1 .75 . . 2 . . . . . . . . 1580 1 177 . 1 1 83 83 VAL HG13 H 1 .75 . . 2 . . . . . . . . 1580 1 178 . 1 1 83 83 VAL HG21 H 1 .58 . . 2 . . . . . . . . 1580 1 179 . 1 1 83 83 VAL HG22 H 1 .58 . . 2 . . . . . . . . 1580 1 180 . 1 1 83 83 VAL HG23 H 1 .58 . . 2 . . . . . . . . 1580 1 181 . 1 1 84 84 ALA H H 1 8.84 . . 1 . . . . . . . . 1580 1 182 . 1 1 84 84 ALA CA C 13 47.2 . . 1 . . . . . . . . 1580 1 183 . 1 1 84 84 ALA HA H 1 5.6 . . 1 . . . . . . . . 1580 1 184 . 1 1 84 84 ALA CB C 13 23.4 . . 1 . . . . . . . . 1580 1 185 . 1 1 84 84 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 1580 1 186 . 1 1 84 84 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 1580 1 187 . 1 1 84 84 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 1580 1 188 . 1 1 85 85 TYR H H 1 10.89 . . 1 . . . . . . . . 1580 1 189 . 1 1 85 85 TYR CA C 13 55.2 . . 1 . . . . . . . . 1580 1 190 . 1 1 85 85 TYR HA H 1 5.69 . . 1 . . . . . . . . 1580 1 191 . 1 1 85 85 TYR CB C 13 41.2 . . 1 . . . . . . . . 1580 1 192 . 1 1 85 85 TYR HB2 H 1 2.49 . . 1 . . . . . . . . 1580 1 193 . 1 1 85 85 TYR HB3 H 1 2.49 . . 1 . . . . . . . . 1580 1 194 . 1 1 86 86 PHE H H 1 9.37 . . 1 . . . . . . . . 1580 1 195 . 1 1 86 86 PHE CA C 13 56.2 . . 1 . . . . . . . . 1580 1 196 . 1 1 86 86 PHE HA H 1 5.08 . . 1 . . . . . . . . 1580 1 197 . 1 1 86 86 PHE CB C 13 40.4 . . 1 . . . . . . . . 1580 1 198 . 1 1 86 86 PHE HB2 H 1 3.46 . . 2 . . . . . . . . 1580 1 199 . 1 1 86 86 PHE HB3 H 1 2.85 . . 2 . . . . . . . . 1580 1 200 . 1 1 87 87 GLY H H 1 8.09 . . 1 . . . . . . . . 1580 1 201 . 1 1 87 87 GLY CA C 13 42.9 . . 1 . . . . . . . . 1580 1 202 . 1 1 87 87 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 1580 1 203 . 1 1 87 87 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 1580 1 204 . 1 1 88 88 THR H H 1 6.33 . . 1 . . . . . . . . 1580 1 205 . 1 1 88 88 THR CA C 13 57 . . 1 . . . . . . . . 1580 1 206 . 1 1 88 88 THR HA H 1 5.28 . . 1 . . . . . . . . 1580 1 207 . 1 1 88 88 THR CB C 13 67.4 . . 1 . . . . . . . . 1580 1 208 . 1 1 88 88 THR CG2 C 13 21.1 . . 1 . . . . . . . . 1580 1 209 . 1 1 88 88 THR HB H 1 4.47 . . 1 . . . . . . . . 1580 1 210 . 1 1 88 88 THR HG21 H 1 1.17 . . 1 . . . . . . . . 1580 1 211 . 1 1 88 88 THR HG22 H 1 1.17 . . 1 . . . . . . . . 1580 1 212 . 1 1 88 88 THR HG23 H 1 1.17 . . 1 . . . . . . . . 1580 1 213 . 1 1 89 89 GLY H H 1 7.85 . . 1 . . . . . . . . 1580 1 214 . 1 1 92 92 ILE H H 1 7.27 . . 1 . . . . . . . . 1580 1 215 . 1 1 92 92 ILE CA C 13 59.3 . . 1 . . . . . . . . 1580 1 216 . 1 1 92 92 ILE HA H 1 3.99 . . 1 . . . . . . . . 1580 1 217 . 1 1 92 92 ILE CB C 13 35.3 . . 1 . . . . . . . . 1580 1 218 . 1 1 92 92 ILE CG1 C 13 25.3 . . 1 . . . . . . . . 1580 1 219 . 1 1 92 92 ILE CG2 C 13 14.6 . . 1 . . . . . . . . 1580 1 220 . 1 1 92 92 ILE HB H 1 1.85 . . 1 . . . . . . . . 1580 1 221 . 1 1 92 92 ILE CD1 C 13 8.1 . . 1 . . . . . . . . 1580 1 222 . 1 1 92 92 ILE HG12 H 1 1.41 . . 2 . . . . . . . . 1580 1 223 . 1 1 92 92 ILE HG13 H 1 1.29 . . 2 . . . . . . . . 1580 1 224 . 1 1 92 92 ILE HG21 H 1 .85 . . 1 . . . . . . . . 1580 1 225 . 1 1 92 92 ILE HG22 H 1 .85 . . 1 . . . . . . . . 1580 1 226 . 1 1 92 92 ILE HG23 H 1 .85 . . 1 . . . . . . . . 1580 1 227 . 1 1 92 92 ILE HD11 H 1 .78 . . 1 . . . . . . . . 1580 1 228 . 1 1 92 92 ILE HD12 H 1 .78 . . 1 . . . . . . . . 1580 1 229 . 1 1 92 92 ILE HD13 H 1 .78 . . 1 . . . . . . . . 1580 1 230 . 1 1 93 93 GLY H H 1 9.11 . . 1 . . . . . . . . 1580 1 231 . 1 1 93 93 GLY CA C 13 43.8 . . 1 . . . . . . . . 1580 1 232 . 1 1 93 93 GLY HA2 H 1 3.48 . . 2 . . . . . . . . 1580 1 233 . 1 1 93 93 GLY HA3 H 1 3.06 . . 2 . . . . . . . . 1580 1 234 . 1 1 94 94 TYR H H 1 6.89 . . 1 . . . . . . . . 1580 1 235 . 1 1 94 94 TYR CA C 13 54.5 . . 1 . . . . . . . . 1580 1 236 . 1 1 94 94 TYR HA H 1 4.62 . . 1 . . . . . . . . 1580 1 237 . 1 1 94 94 TYR CB C 13 34.7 . . 1 . . . . . . . . 1580 1 238 . 1 1 94 94 TYR CG C 13 129.2 . . 1 . . . . . . . . 1580 1 239 . 1 1 94 94 TYR HB2 H 1 2.72 . . 2 . . . . . . . . 1580 1 240 . 1 1 94 94 TYR HB3 H 1 2.55 . . 2 . . . . . . . . 1580 1 241 . 1 1 94 94 TYR CD1 C 13 130.6 . . 1 . . . . . . . . 1580 1 242 . 1 1 94 94 TYR CD2 C 13 131 . . 1 . . . . . . . . 1580 1 243 . 1 1 94 94 TYR CE1 C 13 112.7 . . 1 . . . . . . . . 1580 1 244 . 1 1 94 94 TYR HD1 H 1 6.41 . . 1 . . . . . . . . 1580 1 245 . 1 1 94 94 TYR CE2 C 13 116.1 . . 1 . . . . . . . . 1580 1 246 . 1 1 94 94 TYR HD2 H 1 6.83 . . 1 . . . . . . . . 1580 1 247 . 1 1 94 94 TYR CZ C 13 155 . . 1 . . . . . . . . 1580 1 248 . 1 1 94 94 TYR HE1 H 1 5.55 . . 1 . . . . . . . . 1580 1 249 . 1 1 94 94 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 1580 1 250 . 1 1 95 95 ALA H H 1 7.42 . . 1 . . . . . . . . 1580 1 251 . 1 1 95 95 ALA CA C 13 53.1 . . 1 . . . . . . . . 1580 1 252 . 1 1 95 95 ALA HA H 1 4.29 . . 1 . . . . . . . . 1580 1 253 . 1 1 95 95 ALA CB C 13 18.3 . . 1 . . . . . . . . 1580 1 254 . 1 1 95 95 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 1580 1 255 . 1 1 95 95 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 1580 1 256 . 1 1 95 95 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 1580 1 257 . 1 1 96 96 ASP H H 1 8.45 . . 1 . . . . . . . . 1580 1 258 . 1 1 97 97 ASN H H 1 7.9 . . 1 . . . . . . . . 1580 1 259 . 1 1 97 97 ASN CA C 13 51.6 . . 1 . . . . . . . . 1580 1 260 . 1 1 97 97 ASN HA H 1 5.47 . . 1 . . . . . . . . 1580 1 261 . 1 1 98 98 PHE H H 1 7.74 . . 1 . . . . . . . . 1580 1 262 . 1 1 98 98 PHE CA C 13 54.6 . . 1 . . . . . . . . 1580 1 263 . 1 1 98 98 PHE HA H 1 5.34 . . 1 . . . . . . . . 1580 1 264 . 1 1 99 99 GLN H H 1 7.46 . . 1 . . . . . . . . 1580 1 265 . 1 1 115 115 LYS H H 1 6.83 . . 1 . . . . . . . . 1580 1 266 . 1 1 115 115 LYS HA H 1 3.79 . . 1 . . . . . . . . 1580 1 267 . 1 1 116 116 THR H H 1 8.63 . . 1 . . . . . . . . 1580 1 268 . 1 1 116 116 THR CA C 13 61.2 . . 1 . . . . . . . . 1580 1 269 . 1 1 116 116 THR HA H 1 5.36 . . 1 . . . . . . . . 1580 1 270 . 1 1 116 116 THR CB C 13 67 . . 1 . . . . . . . . 1580 1 271 . 1 1 116 116 THR CG2 C 13 22.1 . . 1 . . . . . . . . 1580 1 272 . 1 1 116 116 THR HB H 1 4.23 . . 1 . . . . . . . . 1580 1 273 . 1 1 116 116 THR HG21 H 1 1.01 . . 1 . . . . . . . . 1580 1 274 . 1 1 116 116 THR HG22 H 1 1.01 . . 1 . . . . . . . . 1580 1 275 . 1 1 116 116 THR HG23 H 1 1.01 . . 1 . . . . . . . . 1580 1 276 . 1 1 117 117 VAL H H 1 8.93 . . 1 . . . . . . . . 1580 1 277 . 1 1 117 117 VAL CA C 13 57.1 . . 1 . . . . . . . . 1580 1 278 . 1 1 117 117 VAL HA H 1 4.63 . . 1 . . . . . . . . 1580 1 279 . 1 1 117 117 VAL CB C 13 32.3 . . 1 . . . . . . . . 1580 1 280 . 1 1 117 117 VAL CG1 C 13 20.7 . . 2 . . . . . . . . 1580 1 281 . 1 1 117 117 VAL CG2 C 13 17.3 . . 2 . . . . . . . . 1580 1 282 . 1 1 117 117 VAL HB H 1 2.24 . . 1 . . . . . . . . 1580 1 283 . 1 1 117 117 VAL HG11 H 1 1.03 . . 2 . . . . . . . . 1580 1 284 . 1 1 117 117 VAL HG12 H 1 1.03 . . 2 . . . . . . . . 1580 1 285 . 1 1 117 117 VAL HG13 H 1 1.03 . . 2 . . . . . . . . 1580 1 286 . 1 1 117 117 VAL HG21 H 1 .47 . . 2 . . . . . . . . 1580 1 287 . 1 1 117 117 VAL HG22 H 1 .47 . . 2 . . . . . . . . 1580 1 288 . 1 1 117 117 VAL HG23 H 1 .47 . . 2 . . . . . . . . 1580 1 289 . 1 1 140 140 GLY HA2 H 1 4.59 . . 1 . . . . . . . . 1580 1 290 . 1 1 140 140 GLY HA3 H 1 4.59 . . 1 . . . . . . . . 1580 1 291 . 1 1 141 141 LEU H H 1 6.94 . . 1 . . . . . . . . 1580 1 292 . 1 1 141 141 LEU CA C 13 53.1 . . 1 . . . . . . . . 1580 1 293 . 1 1 141 141 LEU HA H 1 2.61 . . 1 . . . . . . . . 1580 1 294 . 1 1 141 141 LEU CB C 13 36.3 . . 1 . . . . . . . . 1580 1 295 . 1 1 141 141 LEU CG C 13 23.7 . . 1 . . . . . . . . 1580 1 296 . 1 1 141 141 LEU HB2 H 1 .16 . . 2 . . . . . . . . 1580 1 297 . 1 1 141 141 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 1580 1 298 . 1 1 141 141 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 1580 1 299 . 1 1 141 141 LEU CD2 C 13 18.5 . . 2 . . . . . . . . 1580 1 300 . 1 1 141 141 LEU HG H 1 .41 . . 1 . . . . . . . . 1580 1 301 . 1 1 141 141 LEU HD11 H 1 .02 . . 2 . . . . . . . . 1580 1 302 . 1 1 141 141 LEU HD12 H 1 .02 . . 2 . . . . . . . . 1580 1 303 . 1 1 141 141 LEU HD13 H 1 .02 . . 2 . . . . . . . . 1580 1 304 . 1 1 141 141 LEU HD21 H 1 .97 . . 2 . . . . . . . . 1580 1 305 . 1 1 141 141 LEU HD22 H 1 .97 . . 2 . . . . . . . . 1580 1 306 . 1 1 141 141 LEU HD23 H 1 .97 . . 2 . . . . . . . . 1580 1 307 . 1 1 142 142 ALA H H 1 5.29 . . 1 . . . . . . . . 1580 1 308 . 1 1 142 142 ALA CA C 13 47.3 . . 1 . . . . . . . . 1580 1 309 . 1 1 142 142 ALA HA H 1 3.95 . . 1 . . . . . . . . 1580 1 310 . 1 1 142 142 ALA CB C 13 17.2 . . 1 . . . . . . . . 1580 1 311 . 1 1 142 142 ALA HB1 H 1 .14 . . 1 . . . . . . . . 1580 1 312 . 1 1 142 142 ALA HB2 H 1 .14 . . 1 . . . . . . . . 1580 1 313 . 1 1 142 142 ALA HB3 H 1 .14 . . 1 . . . . . . . . 1580 1 314 . 1 1 143 143 LEU H H 1 8.44 . . 1 . . . . . . . . 1580 1 315 . 1 1 143 143 LEU HA H 1 4.83 . . 1 . . . . . . . . 1580 1 316 . 1 1 144 144 ASP H H 1 8.64 . . 1 . . . . . . . . 1580 1 317 . 1 1 144 144 ASP CA C 13 51.6 . . 1 . . . . . . . . 1580 1 318 . 1 1 144 144 ASP HA H 1 5.61 . . 1 . . . . . . . . 1580 1 319 . 1 1 144 144 ASP CB C 13 41.2 . . 1 . . . . . . . . 1580 1 320 . 1 1 144 144 ASP HB2 H 1 2.96 . . 1 . . . . . . . . 1580 1 321 . 1 1 144 144 ASP HB3 H 1 2.96 . . 1 . . . . . . . . 1580 1 stop_ save_