data_1673 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1673 _Entry.Title ; 1H and 15N Resonance Assignments of Oxidized Flavodoxin from Anacystis nidulans with 3D NMR ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _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 Robert Clubb . T. . 1673 2 V. Thanabal . . . 1673 3 C. Osborne . . . 1673 4 Gerhard Wagner . . . 1673 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1673 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 174 1673 '1H chemical shifts' 624 1673 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 4 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1673 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1673 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1673 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1673 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1673 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Clubb, Robert T., Thanabal, V., Osborne, C., Wagner, Gerhard, "1H and 15N Resonance Assignments of Oxidized Flavodoxin from Anacystis nidulans with 3D NMR," Biochemistry 30 (31), 7718-7730 (1991). ; _Citation.Title ; 1H and 15N Resonance Assignments of Oxidized Flavodoxin from Anacystis nidulans with 3D NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 31 _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 7718 _Citation.Page_last 7730 _Citation.Year 1991 _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 Robert Clubb . T. . 1673 1 2 V. Thanabal . . . 1673 1 3 C. Osborne . . . 1673 1 4 Gerhard Wagner . . . 1673 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_flavodoxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_flavodoxin _Assembly.Entry_ID 1673 _Assembly.ID 1 _Assembly.Name flavodoxin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 . . . . . . . . . 1673 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID flavodoxin system 1673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_flavodoxin _Entity.Sf_category entity _Entity.Sf_framecode flavodoxin _Entity.Entry_ID 1673 _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 . _Entity.Polymer_seq_one_letter_code ; AKIGLFYGTQTGVTQTIAQS IQQEFGGESIVDLNDIANAD ASDLNAYDYLIIGCPTWNVG ELQSDWEGIYDDLDSVNFQG KKVAYFGAGDQVGYSDNFQD AMGILEEKISSLGSQTVGYW PIEGYDFNESKAVRNNQFVG LAIDEDNQPDLTKNRIKTWV SQLKSEFGL ; _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1CZH . "Comparisons Of Wild Type And Mutant Flavodoxins From Anacystis Nidulans. Structural Determinants Of The Redox Potentials." . . . . . 100.00 169 98.82 99.41 2.13e-115 . . . . 1673 1 2 no PDB 1CZK . "Comparisons Of Wild Type And Mutant Flavodoxins From Anacystis Nidulans. Structural Determinants Of The Redox Potentials" . . . . . 100.00 169 98.82 100.00 8.49e-116 . . . . 1673 1 3 no PDB 1CZL . "Comparisons Of Wild Type And Mutant Flavodoxins From Anacystis Nidulans. Structural Determinants Of The Redox Potentials." . . . . . 100.00 169 99.41 100.00 2.07e-116 . . . . 1673 1 4 no PDB 1CZN . "Refined Structures Of Oxidized Flavodoxin From Anacystis Nidulans" . . . . . 100.00 169 99.41 100.00 2.07e-116 . . . . 1673 1 5 no PDB 1CZO . "Comparisons Of Wild Type And Mutant Flavodoxins From Anacystis Nidulans. Structural Determinants Of The Redox Potentials." . . . . . 100.00 169 98.82 99.41 2.13e-115 . . . . 1673 1 6 no PDB 1CZR . "Comparisons Of Wild Type And Mutant Flavodoxins From Anacystis Nidulans. Structural Determinants Of The Redox Potentials" . . . . . 100.00 169 98.82 100.00 8.49e-116 . . . . 1673 1 7 no PDB 1CZU . "Refined Structures Of Oxidized Flavodoxin From Anacystis Nidulans" . . . . . 100.00 169 99.41 100.00 2.07e-116 . . . . 1673 1 8 no PDB 1D03 . "Refined Structures Of Oxidized Flavodoxin From Anacystis Nidulans" . . . . . 100.00 169 98.82 99.41 2.13e-115 . . . . 1673 1 9 no PDB 1D04 . "Comparisons Of Wild Type And Mutant Flavodoxins From Anacystis Nidulans. Structural Determinants Of The Redox Potentials." . . . . . 100.00 169 99.41 100.00 2.07e-116 . . . . 1673 1 10 no PDB 1OFV . "Flavodoxin From Anacystis Nidulans: Refinement Of Two Forms Of The Oxidized Protein" . . . . . 100.00 169 99.41 100.00 2.07e-116 . . . . 1673 1 11 no DBJ BAD80716 . "flavodoxin [Synechococcus elongatus PCC 6301]" . . . . . 100.00 170 99.41 100.00 1.72e-116 . . . . 1673 1 12 no GB AAA22050 . "flavodoxin protein [Synechococcus elongatus PCC 6301]" . . . . . 100.00 170 99.41 100.00 1.72e-116 . . . . 1673 1 13 no GB ABB57571 . "Flavodoxin, long chain [Synechococcus elongatus PCC 7942]" . . . . . 100.00 170 99.41 100.00 1.72e-116 . . . . 1673 1 14 no GB AJD57916 . "flavodoxin FldA [Synechococcus sp. UTEX 2973]" . . . . . 100.00 170 99.41 100.00 1.72e-116 . . . . 1673 1 15 no PIR A28670 . "flavodoxin [validated] - Synechococcus sp" . . . . . 100.00 170 99.41 100.00 1.72e-116 . . . . 1673 1 16 no REF WP_011242314 . "MULTISPECIES: flavodoxin [Synechococcus]" . . . . . 100.00 170 99.41 100.00 1.72e-116 . . . . 1673 1 17 no SP P10340 . "RecName: Full=Flavodoxin" . . . . . 100.00 170 99.41 100.00 1.72e-116 . . . . 1673 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID flavodoxin common 1673 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 1673 1 2 . LYS . 1673 1 3 . ILE . 1673 1 4 . GLY . 1673 1 5 . LEU . 1673 1 6 . PHE . 1673 1 7 . TYR . 1673 1 8 . GLY . 1673 1 9 . THR . 1673 1 10 . GLN . 1673 1 11 . THR . 1673 1 12 . GLY . 1673 1 13 . VAL . 1673 1 14 . THR . 1673 1 15 . GLN . 1673 1 16 . THR . 1673 1 17 . ILE . 1673 1 18 . ALA . 1673 1 19 . GLN . 1673 1 20 . SER . 1673 1 21 . ILE . 1673 1 22 . GLN . 1673 1 23 . GLN . 1673 1 24 . GLU . 1673 1 25 . PHE . 1673 1 26 . GLY . 1673 1 27 . GLY . 1673 1 28 . GLU . 1673 1 29 . SER . 1673 1 30 . ILE . 1673 1 31 . VAL . 1673 1 32 . ASP . 1673 1 33 . LEU . 1673 1 34 . ASN . 1673 1 35 . ASP . 1673 1 36 . ILE . 1673 1 37 . ALA . 1673 1 38 . ASN . 1673 1 39 . ALA . 1673 1 40 . ASP . 1673 1 41 . ALA . 1673 1 42 . SER . 1673 1 43 . ASP . 1673 1 44 . LEU . 1673 1 45 . ASN . 1673 1 46 . ALA . 1673 1 47 . TYR . 1673 1 48 . ASP . 1673 1 49 . TYR . 1673 1 50 . LEU . 1673 1 51 . ILE . 1673 1 52 . ILE . 1673 1 53 . GLY . 1673 1 54 . CYS . 1673 1 55 . PRO . 1673 1 56 . THR . 1673 1 57 . TRP . 1673 1 58 . ASN . 1673 1 59 . VAL . 1673 1 60 . GLY . 1673 1 61 . GLU . 1673 1 62 . LEU . 1673 1 63 . GLN . 1673 1 64 . SER . 1673 1 65 . ASP . 1673 1 66 . TRP . 1673 1 67 . GLU . 1673 1 68 . GLY . 1673 1 69 . ILE . 1673 1 70 . TYR . 1673 1 71 . ASP . 1673 1 72 . ASP . 1673 1 73 . LEU . 1673 1 74 . ASP . 1673 1 75 . SER . 1673 1 76 . VAL . 1673 1 77 . ASN . 1673 1 78 . PHE . 1673 1 79 . GLN . 1673 1 80 . GLY . 1673 1 81 . LYS . 1673 1 82 . LYS . 1673 1 83 . VAL . 1673 1 84 . ALA . 1673 1 85 . TYR . 1673 1 86 . PHE . 1673 1 87 . GLY . 1673 1 88 . ALA . 1673 1 89 . GLY . 1673 1 90 . ASP . 1673 1 91 . GLN . 1673 1 92 . VAL . 1673 1 93 . GLY . 1673 1 94 . TYR . 1673 1 95 . SER . 1673 1 96 . ASP . 1673 1 97 . ASN . 1673 1 98 . PHE . 1673 1 99 . GLN . 1673 1 100 . ASP . 1673 1 101 . ALA . 1673 1 102 . MET . 1673 1 103 . GLY . 1673 1 104 . ILE . 1673 1 105 . LEU . 1673 1 106 . GLU . 1673 1 107 . GLU . 1673 1 108 . LYS . 1673 1 109 . ILE . 1673 1 110 . SER . 1673 1 111 . SER . 1673 1 112 . LEU . 1673 1 113 . GLY . 1673 1 114 . SER . 1673 1 115 . GLN . 1673 1 116 . THR . 1673 1 117 . VAL . 1673 1 118 . GLY . 1673 1 119 . TYR . 1673 1 120 . TRP . 1673 1 121 . PRO . 1673 1 122 . ILE . 1673 1 123 . GLU . 1673 1 124 . GLY . 1673 1 125 . TYR . 1673 1 126 . ASP . 1673 1 127 . PHE . 1673 1 128 . ASN . 1673 1 129 . GLU . 1673 1 130 . SER . 1673 1 131 . LYS . 1673 1 132 . ALA . 1673 1 133 . VAL . 1673 1 134 . ARG . 1673 1 135 . ASN . 1673 1 136 . ASN . 1673 1 137 . GLN . 1673 1 138 . PHE . 1673 1 139 . VAL . 1673 1 140 . GLY . 1673 1 141 . LEU . 1673 1 142 . ALA . 1673 1 143 . ILE . 1673 1 144 . ASP . 1673 1 145 . GLU . 1673 1 146 . ASP . 1673 1 147 . ASN . 1673 1 148 . GLN . 1673 1 149 . PRO . 1673 1 150 . ASP . 1673 1 151 . LEU . 1673 1 152 . THR . 1673 1 153 . LYS . 1673 1 154 . ASN . 1673 1 155 . ARG . 1673 1 156 . ILE . 1673 1 157 . LYS . 1673 1 158 . THR . 1673 1 159 . TRP . 1673 1 160 . VAL . 1673 1 161 . SER . 1673 1 162 . GLN . 1673 1 163 . LEU . 1673 1 164 . LYS . 1673 1 165 . SER . 1673 1 166 . GLU . 1673 1 167 . PHE . 1673 1 168 . GLY . 1673 1 169 . LEU . 1673 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 1673 1 . LYS 2 2 1673 1 . ILE 3 3 1673 1 . GLY 4 4 1673 1 . LEU 5 5 1673 1 . PHE 6 6 1673 1 . TYR 7 7 1673 1 . GLY 8 8 1673 1 . THR 9 9 1673 1 . GLN 10 10 1673 1 . THR 11 11 1673 1 . GLY 12 12 1673 1 . VAL 13 13 1673 1 . THR 14 14 1673 1 . GLN 15 15 1673 1 . THR 16 16 1673 1 . ILE 17 17 1673 1 . ALA 18 18 1673 1 . GLN 19 19 1673 1 . SER 20 20 1673 1 . ILE 21 21 1673 1 . GLN 22 22 1673 1 . GLN 23 23 1673 1 . GLU 24 24 1673 1 . PHE 25 25 1673 1 . GLY 26 26 1673 1 . GLY 27 27 1673 1 . GLU 28 28 1673 1 . SER 29 29 1673 1 . ILE 30 30 1673 1 . VAL 31 31 1673 1 . ASP 32 32 1673 1 . LEU 33 33 1673 1 . ASN 34 34 1673 1 . ASP 35 35 1673 1 . ILE 36 36 1673 1 . ALA 37 37 1673 1 . ASN 38 38 1673 1 . ALA 39 39 1673 1 . ASP 40 40 1673 1 . ALA 41 41 1673 1 . SER 42 42 1673 1 . ASP 43 43 1673 1 . LEU 44 44 1673 1 . ASN 45 45 1673 1 . ALA 46 46 1673 1 . TYR 47 47 1673 1 . ASP 48 48 1673 1 . TYR 49 49 1673 1 . LEU 50 50 1673 1 . ILE 51 51 1673 1 . ILE 52 52 1673 1 . GLY 53 53 1673 1 . CYS 54 54 1673 1 . PRO 55 55 1673 1 . THR 56 56 1673 1 . TRP 57 57 1673 1 . ASN 58 58 1673 1 . VAL 59 59 1673 1 . GLY 60 60 1673 1 . GLU 61 61 1673 1 . LEU 62 62 1673 1 . GLN 63 63 1673 1 . SER 64 64 1673 1 . ASP 65 65 1673 1 . TRP 66 66 1673 1 . GLU 67 67 1673 1 . GLY 68 68 1673 1 . ILE 69 69 1673 1 . TYR 70 70 1673 1 . ASP 71 71 1673 1 . ASP 72 72 1673 1 . LEU 73 73 1673 1 . ASP 74 74 1673 1 . SER 75 75 1673 1 . VAL 76 76 1673 1 . ASN 77 77 1673 1 . PHE 78 78 1673 1 . GLN 79 79 1673 1 . GLY 80 80 1673 1 . LYS 81 81 1673 1 . LYS 82 82 1673 1 . VAL 83 83 1673 1 . ALA 84 84 1673 1 . TYR 85 85 1673 1 . PHE 86 86 1673 1 . GLY 87 87 1673 1 . ALA 88 88 1673 1 . GLY 89 89 1673 1 . ASP 90 90 1673 1 . GLN 91 91 1673 1 . VAL 92 92 1673 1 . GLY 93 93 1673 1 . TYR 94 94 1673 1 . SER 95 95 1673 1 . ASP 96 96 1673 1 . ASN 97 97 1673 1 . PHE 98 98 1673 1 . GLN 99 99 1673 1 . ASP 100 100 1673 1 . ALA 101 101 1673 1 . MET 102 102 1673 1 . GLY 103 103 1673 1 . ILE 104 104 1673 1 . LEU 105 105 1673 1 . GLU 106 106 1673 1 . GLU 107 107 1673 1 . LYS 108 108 1673 1 . ILE 109 109 1673 1 . SER 110 110 1673 1 . SER 111 111 1673 1 . LEU 112 112 1673 1 . GLY 113 113 1673 1 . SER 114 114 1673 1 . GLN 115 115 1673 1 . THR 116 116 1673 1 . VAL 117 117 1673 1 . GLY 118 118 1673 1 . TYR 119 119 1673 1 . TRP 120 120 1673 1 . PRO 121 121 1673 1 . ILE 122 122 1673 1 . GLU 123 123 1673 1 . GLY 124 124 1673 1 . TYR 125 125 1673 1 . ASP 126 126 1673 1 . PHE 127 127 1673 1 . ASN 128 128 1673 1 . GLU 129 129 1673 1 . SER 130 130 1673 1 . LYS 131 131 1673 1 . ALA 132 132 1673 1 . VAL 133 133 1673 1 . ARG 134 134 1673 1 . ASN 135 135 1673 1 . ASN 136 136 1673 1 . GLN 137 137 1673 1 . PHE 138 138 1673 1 . VAL 139 139 1673 1 . GLY 140 140 1673 1 . LEU 141 141 1673 1 . ALA 142 142 1673 1 . ILE 143 143 1673 1 . ASP 144 144 1673 1 . GLU 145 145 1673 1 . ASP 146 146 1673 1 . ASN 147 147 1673 1 . GLN 148 148 1673 1 . PRO 149 149 1673 1 . ASP 150 150 1673 1 . LEU 151 151 1673 1 . THR 152 152 1673 1 . LYS 153 153 1673 1 . ASN 154 154 1673 1 . ARG 155 155 1673 1 . ILE 156 156 1673 1 . LYS 157 157 1673 1 . THR 158 158 1673 1 . TRP 159 159 1673 1 . VAL 160 160 1673 1 . SER 161 161 1673 1 . GLN 162 162 1673 1 . LEU 163 163 1673 1 . LYS 164 164 1673 1 . SER 165 165 1673 1 . GLU 166 166 1673 1 . PHE 167 167 1673 1 . GLY 168 168 1673 1 . LEU 169 169 1673 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 1673 _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 . 1140 organism . 'Anacystis nidulans' . . . Bacteria . Anacystis nidulans R2 . . . . . . . . . . . . . . . . . . . . 1673 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 1673 _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' 'Escherichia coli' . . . Escherichia coli W1485 . . . . . . . . . . . . . . . . . . . . . . 1673 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1673 _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 1673 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . na 1673 1 temperature 303 . K 1673 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 1673 _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 1673 _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' . . 1673 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 1673 _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 . . . . . . . . . . . . . . . . 1673 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 1673 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . TSP . . . . . . 0 . . . . . . . . . . . . 1673 1 N . 'liquid ammonia' . . . . . . 0 . . . . . . . . . . . . 1673 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 1673 _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 . 1673 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.1 . . 1 . . . . . . . . 1673 1 2 . 1 1 1 1 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 1673 1 3 . 1 1 1 1 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 1673 1 4 . 1 1 1 1 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 1673 1 5 . 1 1 1 1 ALA N N 15 41.8 . . 1 . . . . . . . . 1673 1 6 . 1 1 2 2 LYS H H 1 8.61 . . 1 . . . . . . . . 1673 1 7 . 1 1 2 2 LYS HA H 1 4.31 . . 1 . . . . . . . . 1673 1 8 . 1 1 2 2 LYS N N 15 120.7 . . 1 . . . . . . . . 1673 1 9 . 1 1 3 3 ILE H H 1 7.61 . . 1 . . . . . . . . 1673 1 10 . 1 1 3 3 ILE HA H 1 4.56 . . 1 . . . . . . . . 1673 1 11 . 1 1 3 3 ILE N N 15 119.1 . . 1 . . . . . . . . 1673 1 12 . 1 1 4 4 GLY H H 1 8.26 . . 1 . . . . . . . . 1673 1 13 . 1 1 4 4 GLY HA2 H 1 1.61 . . 2 . . . . . . . . 1673 1 14 . 1 1 4 4 GLY HA3 H 1 3.36 . . 2 . . . . . . . . 1673 1 15 . 1 1 4 4 GLY N N 15 118.6 . . 1 . . . . . . . . 1673 1 16 . 1 1 5 5 LEU H H 1 8.65 . . 1 . . . . . . . . 1673 1 17 . 1 1 5 5 LEU N N 15 131.6 . . 1 . . . . . . . . 1673 1 18 . 1 1 6 6 PHE H H 1 9.62 . . 1 . . . . . . . . 1673 1 19 . 1 1 6 6 PHE HA H 1 5.68 . . 1 . . . . . . . . 1673 1 20 . 1 1 6 6 PHE HB2 H 1 2.83 . . 2 . . . . . . . . 1673 1 21 . 1 1 6 6 PHE HB3 H 1 3.16 . . 2 . . . . . . . . 1673 1 22 . 1 1 6 6 PHE N N 15 128.7 . . 1 . . . . . . . . 1673 1 23 . 1 1 7 7 TYR H H 1 8.52 . . 1 . . . . . . . . 1673 1 24 . 1 1 7 7 TYR HA H 1 6.45 . . 1 . . . . . . . . 1673 1 25 . 1 1 7 7 TYR HB2 H 1 2.93 . . 2 . . . . . . . . 1673 1 26 . 1 1 7 7 TYR HB3 H 1 2.65 . . 2 . . . . . . . . 1673 1 27 . 1 1 7 7 TYR N N 15 121.9 . . 1 . . . . . . . . 1673 1 28 . 1 1 8 8 GLY H H 1 7.53 . . 1 . . . . . . . . 1673 1 29 . 1 1 8 8 GLY HA2 H 1 3.56 . . 2 . . . . . . . . 1673 1 30 . 1 1 8 8 GLY HA3 H 1 4.89 . . 2 . . . . . . . . 1673 1 31 . 1 1 8 8 GLY N N 15 118.6 . . 1 . . . . . . . . 1673 1 32 . 1 1 9 9 THR H H 1 8.92 . . 1 . . . . . . . . 1673 1 33 . 1 1 9 9 THR HA H 1 5.01 . . 1 . . . . . . . . 1673 1 34 . 1 1 9 9 THR HB H 1 4.04 . . 1 . . . . . . . . 1673 1 35 . 1 1 9 9 THR HG21 H 1 1.3 . . 1 . . . . . . . . 1673 1 36 . 1 1 9 9 THR HG22 H 1 1.3 . . 1 . . . . . . . . 1673 1 37 . 1 1 9 9 THR HG23 H 1 1.3 . . 1 . . . . . . . . 1673 1 38 . 1 1 9 9 THR N N 15 116.3 . . 1 . . . . . . . . 1673 1 39 . 1 1 10 10 GLN H H 1 10.98 . . 1 . . . . . . . . 1673 1 40 . 1 1 10 10 GLN HA H 1 4.61 . . 1 . . . . . . . . 1673 1 41 . 1 1 10 10 GLN N N 15 132.9 . . 1 . . . . . . . . 1673 1 42 . 1 1 11 11 THR H H 1 9.67 . . 1 . . . . . . . . 1673 1 43 . 1 1 11 11 THR HA H 1 4.8 . . 1 . . . . . . . . 1673 1 44 . 1 1 11 11 THR HG21 H 1 1.47 . . 1 . . . . . . . . 1673 1 45 . 1 1 11 11 THR HG22 H 1 1.47 . . 1 . . . . . . . . 1673 1 46 . 1 1 11 11 THR HG23 H 1 1.47 . . 1 . . . . . . . . 1673 1 47 . 1 1 11 11 THR N N 15 112.4 . . 1 . . . . . . . . 1673 1 48 . 1 1 11 11 THR HG1 H 1 6.94 . . 1 . . . . . . . . 1673 1 49 . 1 1 12 12 GLY H H 1 8.29 . . 1 . . . . . . . . 1673 1 50 . 1 1 12 12 GLY HA2 H 1 3.67 . . 2 . . . . . . . . 1673 1 51 . 1 1 12 12 GLY HA3 H 1 4.5 . . 2 . . . . . . . . 1673 1 52 . 1 1 12 12 GLY N N 15 113.5 . . 1 . . . . . . . . 1673 1 53 . 1 1 13 13 VAL H H 1 10.79 . . 1 . . . . . . . . 1673 1 54 . 1 1 13 13 VAL HA H 1 3.65 . . 1 . . . . . . . . 1673 1 55 . 1 1 13 13 VAL HB H 1 2.64 . . 1 . . . . . . . . 1673 1 56 . 1 1 13 13 VAL HG11 H 1 1.14 . . 2 . . . . . . . . 1673 1 57 . 1 1 13 13 VAL HG12 H 1 1.14 . . 2 . . . . . . . . 1673 1 58 . 1 1 13 13 VAL HG13 H 1 1.14 . . 2 . . . . . . . . 1673 1 59 . 1 1 13 13 VAL HG21 H 1 .9 . . 2 . . . . . . . . 1673 1 60 . 1 1 13 13 VAL HG22 H 1 .9 . . 2 . . . . . . . . 1673 1 61 . 1 1 13 13 VAL HG23 H 1 .9 . . 2 . . . . . . . . 1673 1 62 . 1 1 13 13 VAL N N 15 132 . . 1 . . . . . . . . 1673 1 63 . 1 1 14 14 THR H H 1 11.1 . . 1 . . . . . . . . 1673 1 64 . 1 1 14 14 THR HA H 1 3.71 . . 1 . . . . . . . . 1673 1 65 . 1 1 14 14 THR HB H 1 4.31 . . 1 . . . . . . . . 1673 1 66 . 1 1 14 14 THR HG21 H 1 1.31 . . 1 . . . . . . . . 1673 1 67 . 1 1 14 14 THR HG22 H 1 1.31 . . 1 . . . . . . . . 1673 1 68 . 1 1 14 14 THR HG23 H 1 1.31 . . 1 . . . . . . . . 1673 1 69 . 1 1 14 14 THR N N 15 121.9 . . 1 . . . . . . . . 1673 1 70 . 1 1 15 15 GLN H H 1 6.62 . . 1 . . . . . . . . 1673 1 71 . 1 1 15 15 GLN HA H 1 2.94 . . 1 . . . . . . . . 1673 1 72 . 1 1 15 15 GLN N N 15 119.9 . . 1 . . . . . . . . 1673 1 73 . 1 1 16 16 THR H H 1 7.81 . . 1 . . . . . . . . 1673 1 74 . 1 1 16 16 THR HA H 1 4.41 . . 1 . . . . . . . . 1673 1 75 . 1 1 16 16 THR HB H 1 4.01 . . 1 . . . . . . . . 1673 1 76 . 1 1 16 16 THR HG21 H 1 1.31 . . 1 . . . . . . . . 1673 1 77 . 1 1 16 16 THR HG22 H 1 1.31 . . 1 . . . . . . . . 1673 1 78 . 1 1 16 16 THR HG23 H 1 1.31 . . 1 . . . . . . . . 1673 1 79 . 1 1 16 16 THR N N 15 118.2 . . 1 . . . . . . . . 1673 1 80 . 1 1 17 17 ILE H H 1 8.32 . . 1 . . . . . . . . 1673 1 81 . 1 1 17 17 ILE HA H 1 3.49 . . 1 . . . . . . . . 1673 1 82 . 1 1 17 17 ILE N N 15 124 . . 1 . . . . . . . . 1673 1 83 . 1 1 18 18 ALA H H 1 8.31 . . 1 . . . . . . . . 1673 1 84 . 1 1 18 18 ALA HA H 1 3.56 . . 1 . . . . . . . . 1673 1 85 . 1 1 18 18 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 1673 1 86 . 1 1 18 18 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 1673 1 87 . 1 1 18 18 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 1673 1 88 . 1 1 18 18 ALA N N 15 123.8 . . 1 . . . . . . . . 1673 1 89 . 1 1 19 19 GLN H H 1 8.24 . . 1 . . . . . . . . 1673 1 90 . 1 1 19 19 GLN HA H 1 3.76 . . 1 . . . . . . . . 1673 1 91 . 1 1 19 19 GLN N N 15 118.6 . . 1 . . . . . . . . 1673 1 92 . 1 1 20 20 SER H H 1 7.9 . . 1 . . . . . . . . 1673 1 93 . 1 1 20 20 SER HA H 1 4.31 . . 1 . . . . . . . . 1673 1 94 . 1 1 20 20 SER HB2 H 1 3.89 . . 2 . . . . . . . . 1673 1 95 . 1 1 20 20 SER HB3 H 1 4.11 . . 2 . . . . . . . . 1673 1 96 . 1 1 20 20 SER N N 15 119 . . 1 . . . . . . . . 1673 1 97 . 1 1 21 21 ILE H H 1 8.67 . . 1 . . . . . . . . 1673 1 98 . 1 1 21 21 ILE HA H 1 3.38 . . 1 . . . . . . . . 1673 1 99 . 1 1 21 21 ILE N N 15 125.5 . . 1 . . . . . . . . 1673 1 100 . 1 1 22 22 GLN H H 1 8.41 . . 1 . . . . . . . . 1673 1 101 . 1 1 22 22 GLN HA H 1 3.71 . . 1 . . . . . . . . 1673 1 102 . 1 1 22 22 GLN N N 15 120.3 . . 1 . . . . . . . . 1673 1 103 . 1 1 23 23 GLN H H 1 8.1 . . 1 . . . . . . . . 1673 1 104 . 1 1 23 23 GLN HA H 1 3.94 . . 1 . . . . . . . . 1673 1 105 . 1 1 23 23 GLN NE2 N 15 111.1 . . 1 . . . . . . . . 1673 1 106 . 1 1 23 23 GLN HE21 H 1 7.36 . . 2 . . . . . . . . 1673 1 107 . 1 1 23 23 GLN HE22 H 1 7.66 . . 2 . . . . . . . . 1673 1 108 . 1 1 23 23 GLN N N 15 119.6 . . 1 . . . . . . . . 1673 1 109 . 1 1 24 24 GLU H H 1 8.51 . . 1 . . . . . . . . 1673 1 110 . 1 1 24 24 GLU HA H 1 4.01 . . 1 . . . . . . . . 1673 1 111 . 1 1 24 24 GLU N N 15 123.6 . . 1 . . . . . . . . 1673 1 112 . 1 1 25 25 PHE H H 1 8.06 . . 1 . . . . . . . . 1673 1 113 . 1 1 25 25 PHE HA H 1 3.91 . . 1 . . . . . . . . 1673 1 114 . 1 1 25 25 PHE HB2 H 1 1.9 . . 2 . . . . . . . . 1673 1 115 . 1 1 25 25 PHE HB3 H 1 3.03 . . 2 . . . . . . . . 1673 1 116 . 1 1 25 25 PHE N N 15 118 . . 1 . . . . . . . . 1673 1 117 . 1 1 26 26 GLY H H 1 7.59 . . 1 . . . . . . . . 1673 1 118 . 1 1 26 26 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 1673 1 119 . 1 1 26 26 GLY HA3 H 1 4.64 . . 2 . . . . . . . . 1673 1 120 . 1 1 26 26 GLY N N 15 103.9 . . 1 . . . . . . . . 1673 1 121 . 1 1 27 27 GLY H H 1 8.44 . . 1 . . . . . . . . 1673 1 122 . 1 1 27 27 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 1673 1 123 . 1 1 27 27 GLY HA3 H 1 4.66 . . 2 . . . . . . . . 1673 1 124 . 1 1 27 27 GLY N N 15 110.1 . . 1 . . . . . . . . 1673 1 125 . 1 1 28 28 GLU H H 1 9.16 . . 1 . . . . . . . . 1673 1 126 . 1 1 28 28 GLU HA H 1 4.49 . . 1 . . . . . . . . 1673 1 127 . 1 1 28 28 GLU N N 15 121.1 . . 1 . . . . . . . . 1673 1 128 . 1 1 29 29 SER H H 1 8.74 . . 1 . . . . . . . . 1673 1 129 . 1 1 29 29 SER HA H 1 4.36 . . 1 . . . . . . . . 1673 1 130 . 1 1 29 29 SER HB2 H 1 3.96 . . 1 . . . . . . . . 1673 1 131 . 1 1 29 29 SER HB3 H 1 3.96 . . 1 . . . . . . . . 1673 1 132 . 1 1 29 29 SER N N 15 115.3 . . 1 . . . . . . . . 1673 1 133 . 1 1 30 30 ILE H H 1 7.76 . . 1 . . . . . . . . 1673 1 134 . 1 1 30 30 ILE HA H 1 4.3 . . 1 . . . . . . . . 1673 1 135 . 1 1 30 30 ILE N N 15 122.4 . . 1 . . . . . . . . 1673 1 136 . 1 1 31 31 VAL H H 1 7.51 . . 1 . . . . . . . . 1673 1 137 . 1 1 31 31 VAL HA H 1 4.61 . . 1 . . . . . . . . 1673 1 138 . 1 1 31 31 VAL N N 15 119.8 . . 1 . . . . . . . . 1673 1 139 . 1 1 32 32 ASP H H 1 8.41 . . 1 . . . . . . . . 1673 1 140 . 1 1 32 32 ASP HA H 1 4.91 . . 1 . . . . . . . . 1673 1 141 . 1 1 32 32 ASP HB2 H 1 2.41 . . 2 . . . . . . . . 1673 1 142 . 1 1 32 32 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 1673 1 143 . 1 1 32 32 ASP N N 15 127.8 . . 1 . . . . . . . . 1673 1 144 . 1 1 33 33 LEU H H 1 8.66 . . 1 . . . . . . . . 1673 1 145 . 1 1 33 33 LEU HA H 1 4.6 . . 1 . . . . . . . . 1673 1 146 . 1 1 33 33 LEU N N 15 125.6 . . 1 . . . . . . . . 1673 1 147 . 1 1 34 34 ASN H H 1 8.69 . . 1 . . . . . . . . 1673 1 148 . 1 1 34 34 ASN HA H 1 4.74 . . 1 . . . . . . . . 1673 1 149 . 1 1 34 34 ASN HB2 H 1 1.95 . . 2 . . . . . . . . 1673 1 150 . 1 1 34 34 ASN HB3 H 1 3.94 . . 2 . . . . . . . . 1673 1 151 . 1 1 34 34 ASN N N 15 124.2 . . 1 . . . . . . . . 1673 1 152 . 1 1 35 35 ASP H H 1 8.42 . . 1 . . . . . . . . 1673 1 153 . 1 1 35 35 ASP HA H 1 3.55 . . 1 . . . . . . . . 1673 1 154 . 1 1 35 35 ASP HB2 H 1 2.34 . . 2 . . . . . . . . 1673 1 155 . 1 1 35 35 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 1673 1 156 . 1 1 35 35 ASP N N 15 126.1 . . 1 . . . . . . . . 1673 1 157 . 1 1 36 36 ILE H H 1 9.49 . . 1 . . . . . . . . 1673 1 158 . 1 1 36 36 ILE HA H 1 3.79 . . 1 . . . . . . . . 1673 1 159 . 1 1 36 36 ILE N N 15 133.6 . . 1 . . . . . . . . 1673 1 160 . 1 1 37 37 ALA H H 1 8.57 . . 1 . . . . . . . . 1673 1 161 . 1 1 37 37 ALA HA H 1 3.83 . . 1 . . . . . . . . 1673 1 162 . 1 1 37 37 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 1673 1 163 . 1 1 37 37 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 1673 1 164 . 1 1 37 37 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 1673 1 165 . 1 1 37 37 ALA N N 15 125.1 . . 1 . . . . . . . . 1673 1 166 . 1 1 38 38 ASN H H 1 7.59 . . 1 . . . . . . . . 1673 1 167 . 1 1 38 38 ASN HA H 1 4.9 . . 1 . . . . . . . . 1673 1 168 . 1 1 38 38 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 1673 1 169 . 1 1 38 38 ASN HB3 H 1 3.03 . . 2 . . . . . . . . 1673 1 170 . 1 1 38 38 ASN N N 15 113.6 . . 1 . . . . . . . . 1673 1 171 . 1 1 39 39 ALA H H 1 7.17 . . 1 . . . . . . . . 1673 1 172 . 1 1 39 39 ALA HA H 1 4.57 . . 1 . . . . . . . . 1673 1 173 . 1 1 39 39 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 1673 1 174 . 1 1 39 39 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 1673 1 175 . 1 1 39 39 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 1673 1 176 . 1 1 39 39 ALA N N 15 124.1 . . 1 . . . . . . . . 1673 1 177 . 1 1 40 40 ASP H H 1 6.96 . . 1 . . . . . . . . 1673 1 178 . 1 1 40 40 ASP HA H 1 4.16 . . 1 . . . . . . . . 1673 1 179 . 1 1 40 40 ASP HB2 H 1 2.26 . . 2 . . . . . . . . 1673 1 180 . 1 1 40 40 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 1673 1 181 . 1 1 40 40 ASP N N 15 120.4 . . 1 . . . . . . . . 1673 1 182 . 1 1 41 41 ALA H H 1 9.06 . . 1 . . . . . . . . 1673 1 183 . 1 1 41 41 ALA HA H 1 3.65 . . 1 . . . . . . . . 1673 1 184 . 1 1 41 41 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 1673 1 185 . 1 1 41 41 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 1673 1 186 . 1 1 41 41 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 1673 1 187 . 1 1 41 41 ALA N N 15 127.3 . . 1 . . . . . . . . 1673 1 188 . 1 1 42 42 SER H H 1 8.16 . . 1 . . . . . . . . 1673 1 189 . 1 1 42 42 SER HA H 1 3.86 . . 1 . . . . . . . . 1673 1 190 . 1 1 42 42 SER N N 15 109.3 . . 1 . . . . . . . . 1673 1 191 . 1 1 43 43 ASP H H 1 8.25 . . 1 . . . . . . . . 1673 1 192 . 1 1 43 43 ASP HA H 1 4.51 . . 1 . . . . . . . . 1673 1 193 . 1 1 43 43 ASP HB2 H 1 3.01 . . 1 . . . . . . . . 1673 1 194 . 1 1 43 43 ASP HB3 H 1 3.01 . . 1 . . . . . . . . 1673 1 195 . 1 1 43 43 ASP N N 15 126.4 . . 1 . . . . . . . . 1673 1 196 . 1 1 44 44 LEU H H 1 7.52 . . 1 . . . . . . . . 1673 1 197 . 1 1 44 44 LEU HA H 1 3.86 . . 1 . . . . . . . . 1673 1 198 . 1 1 44 44 LEU N N 15 119.8 . . 1 . . . . . . . . 1673 1 199 . 1 1 45 45 ASN H H 1 7.36 . . 1 . . . . . . . . 1673 1 200 . 1 1 45 45 ASN HA H 1 4.16 . . 1 . . . . . . . . 1673 1 201 . 1 1 45 45 ASN HB2 H 1 2.76 . . 1 . . . . . . . . 1673 1 202 . 1 1 45 45 ASN HB3 H 1 2.76 . . 1 . . . . . . . . 1673 1 203 . 1 1 45 45 ASN N N 15 113.2 . . 1 . . . . . . . . 1673 1 204 . 1 1 46 46 ALA H H 1 7.1 . . 1 . . . . . . . . 1673 1 205 . 1 1 46 46 ALA HA H 1 3.95 . . 1 . . . . . . . . 1673 1 206 . 1 1 46 46 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 1673 1 207 . 1 1 46 46 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 1673 1 208 . 1 1 46 46 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 1673 1 209 . 1 1 46 46 ALA N N 15 119.8 . . 1 . . . . . . . . 1673 1 210 . 1 1 47 47 TYR H H 1 6.81 . . 1 . . . . . . . . 1673 1 211 . 1 1 47 47 TYR HA H 1 4.61 . . 1 . . . . . . . . 1673 1 212 . 1 1 47 47 TYR HB2 H 1 3.35 . . 2 . . . . . . . . 1673 1 213 . 1 1 47 47 TYR HB3 H 1 2.58 . . 2 . . . . . . . . 1673 1 214 . 1 1 47 47 TYR N N 15 115.7 . . 1 . . . . . . . . 1673 1 215 . 1 1 48 48 ASP H H 1 9.23 . . 1 . . . . . . . . 1673 1 216 . 1 1 48 48 ASP HA H 1 4.51 . . 1 . . . . . . . . 1673 1 217 . 1 1 48 48 ASP HB2 H 1 2.04 . . 2 . . . . . . . . 1673 1 218 . 1 1 48 48 ASP HB3 H 1 2.25 . . 2 . . . . . . . . 1673 1 219 . 1 1 48 48 ASP N N 15 123.6 . . 1 . . . . . . . . 1673 1 220 . 1 1 49 49 TYR H H 1 7.09 . . 1 . . . . . . . . 1673 1 221 . 1 1 49 49 TYR HA H 1 5.34 . . 1 . . . . . . . . 1673 1 222 . 1 1 49 49 TYR HB2 H 1 2.45 . . 2 . . . . . . . . 1673 1 223 . 1 1 49 49 TYR HB3 H 1 1.69 . . 2 . . . . . . . . 1673 1 224 . 1 1 49 49 TYR N N 15 118.3 . . 1 . . . . . . . . 1673 1 225 . 1 1 50 50 LEU H H 1 8.61 . . 1 . . . . . . . . 1673 1 226 . 1 1 50 50 LEU HA H 1 5.66 . . 1 . . . . . . . . 1673 1 227 . 1 1 50 50 LEU N N 15 124.3 . . 1 . . . . . . . . 1673 1 228 . 1 1 51 51 ILE H H 1 8.87 . . 1 . . . . . . . . 1673 1 229 . 1 1 51 51 ILE HA H 1 5.04 . . 1 . . . . . . . . 1673 1 230 . 1 1 51 51 ILE N N 15 119.9 . . 1 . . . . . . . . 1673 1 231 . 1 1 52 52 ILE H H 1 9.56 . . 1 . . . . . . . . 1673 1 232 . 1 1 52 52 ILE HA H 1 5.03 . . 1 . . . . . . . . 1673 1 233 . 1 1 52 52 ILE N N 15 132.3 . . 1 . . . . . . . . 1673 1 234 . 1 1 53 53 GLY H H 1 9.33 . . 1 . . . . . . . . 1673 1 235 . 1 1 53 53 GLY HA2 H 1 4.14 . . 1 . . . . . . . . 1673 1 236 . 1 1 53 53 GLY HA3 H 1 4.14 . . 1 . . . . . . . . 1673 1 237 . 1 1 53 53 GLY N N 15 114.7 . . 1 . . . . . . . . 1673 1 238 . 1 1 54 54 CYS H H 1 8.08 . . 1 . . . . . . . . 1673 1 239 . 1 1 54 54 CYS HA H 1 5.27 . . 1 . . . . . . . . 1673 1 240 . 1 1 54 54 CYS HB2 H 1 1.53 . . 2 . . . . . . . . 1673 1 241 . 1 1 54 54 CYS HB3 H 1 2.43 . . 2 . . . . . . . . 1673 1 242 . 1 1 54 54 CYS HG H 1 2.95 . . 1 . . . . . . . . 1673 1 243 . 1 1 54 54 CYS N N 15 126.4 . . 1 . . . . . . . . 1673 1 244 . 1 1 56 56 THR H H 1 7.11 . . 1 . . . . . . . . 1673 1 245 . 1 1 56 56 THR HA H 1 4.56 . . 1 . . . . . . . . 1673 1 246 . 1 1 56 56 THR HB H 1 3.56 . . 1 . . . . . . . . 1673 1 247 . 1 1 56 56 THR HG21 H 1 1.28 . . 1 . . . . . . . . 1673 1 248 . 1 1 56 56 THR HG22 H 1 1.28 . . 1 . . . . . . . . 1673 1 249 . 1 1 56 56 THR HG23 H 1 1.28 . . 1 . . . . . . . . 1673 1 250 . 1 1 56 56 THR N N 15 113.8 . . 1 . . . . . . . . 1673 1 251 . 1 1 57 57 TRP H H 1 8.41 . . 1 . . . . . . . . 1673 1 252 . 1 1 57 57 TRP HA H 1 2.86 . . 1 . . . . . . . . 1673 1 253 . 1 1 57 57 TRP HB2 H 1 2.06 . . 1 . . . . . . . . 1673 1 254 . 1 1 57 57 TRP HB3 H 1 2.06 . . 1 . . . . . . . . 1673 1 255 . 1 1 57 57 TRP NE1 N 15 133.2 . . 1 . . . . . . . . 1673 1 256 . 1 1 57 57 TRP HD1 H 1 6.38 . . 1 . . . . . . . . 1673 1 257 . 1 1 57 57 TRP HE1 H 1 11.47 . . 1 . . . . . . . . 1673 1 258 . 1 1 57 57 TRP HE3 H 1 7 . . 1 . . . . . . . . 1673 1 259 . 1 1 57 57 TRP HZ2 H 1 8 . . 1 . . . . . . . . 1673 1 260 . 1 1 57 57 TRP HZ3 H 1 7.08 . . 1 . . . . . . . . 1673 1 261 . 1 1 57 57 TRP HH2 H 1 7.33 . . 1 . . . . . . . . 1673 1 262 . 1 1 57 57 TRP N N 15 129.2 . . 1 . . . . . . . . 1673 1 263 . 1 1 58 58 ASN H H 1 6.41 . . 1 . . . . . . . . 1673 1 264 . 1 1 58 58 ASN HA H 1 4.87 . . 1 . . . . . . . . 1673 1 265 . 1 1 58 58 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 1673 1 266 . 1 1 58 58 ASN HB3 H 1 3.13 . . 2 . . . . . . . . 1673 1 267 . 1 1 58 58 ASN N N 15 115.5 . . 1 . . . . . . . . 1673 1 268 . 1 1 59 59 VAL H H 1 8.21 . . 1 . . . . . . . . 1673 1 269 . 1 1 59 59 VAL HA H 1 3.8 . . 1 . . . . . . . . 1673 1 270 . 1 1 59 59 VAL HB H 1 2.95 . . 1 . . . . . . . . 1673 1 271 . 1 1 59 59 VAL HG11 H 1 1.19 . . 2 . . . . . . . . 1673 1 272 . 1 1 59 59 VAL HG12 H 1 1.19 . . 2 . . . . . . . . 1673 1 273 . 1 1 59 59 VAL HG13 H 1 1.19 . . 2 . . . . . . . . 1673 1 274 . 1 1 59 59 VAL HG21 H 1 1.02 . . 2 . . . . . . . . 1673 1 275 . 1 1 59 59 VAL HG22 H 1 1.02 . . 2 . . . . . . . . 1673 1 276 . 1 1 59 59 VAL HG23 H 1 1.02 . . 2 . . . . . . . . 1673 1 277 . 1 1 59 59 VAL N N 15 113.9 . . 1 . . . . . . . . 1673 1 278 . 1 1 60 60 GLY H H 1 7.96 . . 1 . . . . . . . . 1673 1 279 . 1 1 60 60 GLY HA2 H 1 3.67 . . 2 . . . . . . . . 1673 1 280 . 1 1 60 60 GLY HA3 H 1 4.5 . . 2 . . . . . . . . 1673 1 281 . 1 1 60 60 GLY N N 15 107.4 . . 1 . . . . . . . . 1673 1 282 . 1 1 61 61 GLU H H 1 8.54 . . 1 . . . . . . . . 1673 1 283 . 1 1 61 61 GLU HA H 1 4.61 . . 1 . . . . . . . . 1673 1 284 . 1 1 61 61 GLU N N 15 119.2 . . 1 . . . . . . . . 1673 1 285 . 1 1 62 62 LEU H H 1 8.42 . . 1 . . . . . . . . 1673 1 286 . 1 1 62 62 LEU HA H 1 3.85 . . 1 . . . . . . . . 1673 1 287 . 1 1 62 62 LEU N N 15 118.9 . . 1 . . . . . . . . 1673 1 288 . 1 1 63 63 GLN H H 1 5.64 . . 1 . . . . . . . . 1673 1 289 . 1 1 63 63 GLN HA H 1 4.01 . . 1 . . . . . . . . 1673 1 290 . 1 1 63 63 GLN N N 15 121.1 . . 1 . . . . . . . . 1673 1 291 . 1 1 64 64 SER H H 1 8.45 . . 1 . . . . . . . . 1673 1 292 . 1 1 64 64 SER HA H 1 3.98 . . 1 . . . . . . . . 1673 1 293 . 1 1 64 64 SER HB2 H 1 3.76 . . 1 . . . . . . . . 1673 1 294 . 1 1 64 64 SER HB3 H 1 3.76 . . 1 . . . . . . . . 1673 1 295 . 1 1 65 65 ASP H H 1 7.49 . . 1 . . . . . . . . 1673 1 296 . 1 1 65 65 ASP HA H 1 4.51 . . 1 . . . . . . . . 1673 1 297 . 1 1 65 65 ASP HB2 H 1 2.81 . . 2 . . . . . . . . 1673 1 298 . 1 1 65 65 ASP HB3 H 1 2.14 . . 2 . . . . . . . . 1673 1 299 . 1 1 65 65 ASP N N 15 120.1 . . 1 . . . . . . . . 1673 1 300 . 1 1 66 66 TRP H H 1 7.35 . . 1 . . . . . . . . 1673 1 301 . 1 1 66 66 TRP HA H 1 4.51 . . 1 . . . . . . . . 1673 1 302 . 1 1 66 66 TRP HB2 H 1 3.27 . . 2 . . . . . . . . 1673 1 303 . 1 1 66 66 TRP HB3 H 1 3.37 . . 2 . . . . . . . . 1673 1 304 . 1 1 66 66 TRP NE1 N 15 126.5 . . 1 . . . . . . . . 1673 1 305 . 1 1 66 66 TRP HD1 H 1 7.45 . . 1 . . . . . . . . 1673 1 306 . 1 1 66 66 TRP HE1 H 1 9.35 . . 1 . . . . . . . . 1673 1 307 . 1 1 66 66 TRP N N 15 122.4 . . 1 . . . . . . . . 1673 1 308 . 1 1 67 67 GLU H H 1 8.41 . . 1 . . . . . . . . 1673 1 309 . 1 1 67 67 GLU HA H 1 3.96 . . 1 . . . . . . . . 1673 1 310 . 1 1 67 67 GLU N N 15 121.4 . . 1 . . . . . . . . 1673 1 311 . 1 1 68 68 GLY H H 1 7.81 . . 1 . . . . . . . . 1673 1 312 . 1 1 68 68 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 1673 1 313 . 1 1 68 68 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 1673 1 314 . 1 1 68 68 GLY N N 15 104.4 . . 1 . . . . . . . . 1673 1 315 . 1 1 69 69 ILE H H 1 7.15 . . 1 . . . . . . . . 1673 1 316 . 1 1 69 69 ILE HA H 1 4.63 . . 1 . . . . . . . . 1673 1 317 . 1 1 69 69 ILE N N 15 118.9 . . 1 . . . . . . . . 1673 1 318 . 1 1 70 70 TYR H H 1 7.73 . . 1 . . . . . . . . 1673 1 319 . 1 1 70 70 TYR HA H 1 4.01 . . 1 . . . . . . . . 1673 1 320 . 1 1 70 70 TYR HB2 H 1 3.41 . . 2 . . . . . . . . 1673 1 321 . 1 1 70 70 TYR HB3 H 1 3.11 . . 2 . . . . . . . . 1673 1 322 . 1 1 70 70 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 1673 1 323 . 1 1 70 70 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 1673 1 324 . 1 1 70 70 TYR N N 15 125.7 . . 1 . . . . . . . . 1673 1 325 . 1 1 71 71 ASP H H 1 8.79 . . 1 . . . . . . . . 1673 1 326 . 1 1 71 71 ASP HA H 1 4.43 . . 1 . . . . . . . . 1673 1 327 . 1 1 71 71 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 1673 1 328 . 1 1 71 71 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 1673 1 329 . 1 1 71 71 ASP N N 15 118.3 . . 1 . . . . . . . . 1673 1 330 . 1 1 72 72 ASP H H 1 8.02 . . 1 . . . . . . . . 1673 1 331 . 1 1 72 72 ASP HA H 1 4.78 . . 1 . . . . . . . . 1673 1 332 . 1 1 72 72 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 1673 1 333 . 1 1 72 72 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 1673 1 334 . 1 1 72 72 ASP N N 15 119.9 . . 1 . . . . . . . . 1673 1 335 . 1 1 73 73 LEU H H 1 7.66 . . 1 . . . . . . . . 1673 1 336 . 1 1 73 73 LEU HA H 1 3.99 . . 1 . . . . . . . . 1673 1 337 . 1 1 73 73 LEU N N 15 122.4 . . 1 . . . . . . . . 1673 1 338 . 1 1 74 74 ASP H H 1 7.78 . . 1 . . . . . . . . 1673 1 339 . 1 1 74 74 ASP HA H 1 4.49 . . 1 . . . . . . . . 1673 1 340 . 1 1 74 74 ASP HB2 H 1 2.64 . . 1 . . . . . . . . 1673 1 341 . 1 1 74 74 ASP HB3 H 1 2.64 . . 1 . . . . . . . . 1673 1 342 . 1 1 74 74 ASP N N 15 114.7 . . 1 . . . . . . . . 1673 1 343 . 1 1 75 75 SER H H 1 7.76 . . 1 . . . . . . . . 1673 1 344 . 1 1 75 75 SER HA H 1 4.41 . . 1 . . . . . . . . 1673 1 345 . 1 1 75 75 SER N N 15 114.7 . . 1 . . . . . . . . 1673 1 346 . 1 1 76 76 VAL H H 1 7.81 . . 1 . . . . . . . . 1673 1 347 . 1 1 76 76 VAL HA H 1 3.61 . . 1 . . . . . . . . 1673 1 348 . 1 1 76 76 VAL HB H 1 1.94 . . 1 . . . . . . . . 1673 1 349 . 1 1 76 76 VAL HG11 H 1 .68 . . 2 . . . . . . . . 1673 1 350 . 1 1 76 76 VAL HG12 H 1 .68 . . 2 . . . . . . . . 1673 1 351 . 1 1 76 76 VAL HG13 H 1 .68 . . 2 . . . . . . . . 1673 1 352 . 1 1 76 76 VAL HG21 H 1 .33 . . 2 . . . . . . . . 1673 1 353 . 1 1 76 76 VAL HG22 H 1 .33 . . 2 . . . . . . . . 1673 1 354 . 1 1 76 76 VAL HG23 H 1 .33 . . 2 . . . . . . . . 1673 1 355 . 1 1 76 76 VAL N N 15 128 . . 1 . . . . . . . . 1673 1 356 . 1 1 77 77 ASN H H 1 8.28 . . 1 . . . . . . . . 1673 1 357 . 1 1 77 77 ASN HA H 1 4.88 . . 1 . . . . . . . . 1673 1 358 . 1 1 77 77 ASN HB2 H 1 2.72 . . 2 . . . . . . . . 1673 1 359 . 1 1 77 77 ASN HB3 H 1 2.97 . . 2 . . . . . . . . 1673 1 360 . 1 1 77 77 ASN N N 15 124.9 . . 1 . . . . . . . . 1673 1 361 . 1 1 78 78 PHE H H 1 8.41 . . 1 . . . . . . . . 1673 1 362 . 1 1 78 78 PHE HA H 1 4.22 . . 1 . . . . . . . . 1673 1 363 . 1 1 78 78 PHE HB2 H 1 2.54 . . 2 . . . . . . . . 1673 1 364 . 1 1 78 78 PHE HB3 H 1 3.19 . . 2 . . . . . . . . 1673 1 365 . 1 1 78 78 PHE N N 15 125.4 . . 1 . . . . . . . . 1673 1 366 . 1 1 79 79 GLN H H 1 8.02 . . 1 . . . . . . . . 1673 1 367 . 1 1 79 79 GLN HA H 1 3.96 . . 1 . . . . . . . . 1673 1 368 . 1 1 79 79 GLN N N 15 121.6 . . 1 . . . . . . . . 1673 1 369 . 1 1 80 80 GLY H H 1 8.46 . . 1 . . . . . . . . 1673 1 370 . 1 1 80 80 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 1673 1 371 . 1 1 80 80 GLY HA3 H 1 4.27 . . 2 . . . . . . . . 1673 1 372 . 1 1 80 80 GLY N N 15 115.2 . . 1 . . . . . . . . 1673 1 373 . 1 1 81 81 LYS H H 1 7.98 . . 1 . . . . . . . . 1673 1 374 . 1 1 81 81 LYS HA H 1 4.61 . . 1 . . . . . . . . 1673 1 375 . 1 1 81 81 LYS N N 15 121.3 . . 1 . . . . . . . . 1673 1 376 . 1 1 82 82 LYS H H 1 7.98 . . 1 . . . . . . . . 1673 1 377 . 1 1 82 82 LYS HA H 1 5.46 . . 1 . . . . . . . . 1673 1 378 . 1 1 82 82 LYS N N 15 124.8 . . 1 . . . . . . . . 1673 1 379 . 1 1 83 83 VAL H H 1 8.61 . . 1 . . . . . . . . 1673 1 380 . 1 1 83 83 VAL HA H 1 5.09 . . 1 . . . . . . . . 1673 1 381 . 1 1 83 83 VAL HB H 1 2.03 . . 1 . . . . . . . . 1673 1 382 . 1 1 83 83 VAL HG11 H 1 .87 . . 1 . . . . . . . . 1673 1 383 . 1 1 83 83 VAL HG12 H 1 .87 . . 1 . . . . . . . . 1673 1 384 . 1 1 83 83 VAL HG13 H 1 .87 . . 1 . . . . . . . . 1673 1 385 . 1 1 83 83 VAL HG21 H 1 .87 . . 1 . . . . . . . . 1673 1 386 . 1 1 83 83 VAL HG22 H 1 .87 . . 1 . . . . . . . . 1673 1 387 . 1 1 83 83 VAL HG23 H 1 .87 . . 1 . . . . . . . . 1673 1 388 . 1 1 83 83 VAL N N 15 125.3 . . 1 . . . . . . . . 1673 1 389 . 1 1 84 84 ALA H H 1 8.8 . . 1 . . . . . . . . 1673 1 390 . 1 1 84 84 ALA HA H 1 5.64 . . 1 . . . . . . . . 1673 1 391 . 1 1 84 84 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 1673 1 392 . 1 1 84 84 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 1673 1 393 . 1 1 84 84 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 1673 1 394 . 1 1 84 84 ALA N N 15 130.5 . . 1 . . . . . . . . 1673 1 395 . 1 1 85 85 TYR H H 1 11.08 . . 1 . . . . . . . . 1673 1 396 . 1 1 85 85 TYR HA H 1 5.6 . . 1 . . . . . . . . 1673 1 397 . 1 1 85 85 TYR HB2 H 1 2.6 . . 2 . . . . . . . . 1673 1 398 . 1 1 85 85 TYR HB3 H 1 2.47 . . 2 . . . . . . . . 1673 1 399 . 1 1 85 85 TYR N N 15 121 . . 1 . . . . . . . . 1673 1 400 . 1 1 86 86 PHE H H 1 8.84 . . 1 . . . . . . . . 1673 1 401 . 1 1 86 86 PHE HA H 1 5.11 . . 1 . . . . . . . . 1673 1 402 . 1 1 86 86 PHE HB2 H 1 2.39 . . 2 . . . . . . . . 1673 1 403 . 1 1 86 86 PHE HB3 H 1 2.55 . . 2 . . . . . . . . 1673 1 404 . 1 1 86 86 PHE N N 15 113.5 . . 1 . . . . . . . . 1673 1 405 . 1 1 87 87 GLY H H 1 8.08 . . 1 . . . . . . . . 1673 1 406 . 1 1 87 87 GLY HA2 H 1 3.59 . . 2 . . . . . . . . 1673 1 407 . 1 1 87 87 GLY HA3 H 1 4 . . 2 . . . . . . . . 1673 1 408 . 1 1 87 87 GLY N N 15 107 . . 1 . . . . . . . . 1673 1 409 . 1 1 88 88 ALA H H 1 6.05 . . 1 . . . . . . . . 1673 1 410 . 1 1 88 88 ALA HA H 1 5.42 . . 1 . . . . . . . . 1673 1 411 . 1 1 88 88 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 1673 1 412 . 1 1 88 88 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 1673 1 413 . 1 1 88 88 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 1673 1 414 . 1 1 88 88 ALA N N 15 125 . . 1 . . . . . . . . 1673 1 415 . 1 1 89 89 GLY H H 1 7.8 . . 1 . . . . . . . . 1673 1 416 . 1 1 89 89 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 1673 1 417 . 1 1 89 89 GLY HA3 H 1 5.41 . . 2 . . . . . . . . 1673 1 418 . 1 1 89 89 GLY N N 15 107.1 . . 1 . . . . . . . . 1673 1 419 . 1 1 90 90 ASP H H 1 8.41 . . 1 . . . . . . . . 1673 1 420 . 1 1 90 90 ASP HA H 1 4.91 . . 1 . . . . . . . . 1673 1 421 . 1 1 90 90 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 1673 1 422 . 1 1 90 90 ASP HB3 H 1 2.41 . . 2 . . . . . . . . 1673 1 423 . 1 1 90 90 ASP N N 15 121.5 . . 1 . . . . . . . . 1673 1 424 . 1 1 91 91 GLN H H 1 8.79 . . 1 . . . . . . . . 1673 1 425 . 1 1 91 91 GLN HA H 1 3.42 . . 1 . . . . . . . . 1673 1 426 . 1 1 91 91 GLN NE2 N 15 111.5 . . 1 . . . . . . . . 1673 1 427 . 1 1 91 91 GLN HE21 H 1 6.29 . . 2 . . . . . . . . 1673 1 428 . 1 1 91 91 GLN HE22 H 1 9.4 . . 2 . . . . . . . . 1673 1 429 . 1 1 91 91 GLN N N 15 123.8 . . 1 . . . . . . . . 1673 1 430 . 1 1 92 92 VAL H H 1 7.4 . . 1 . . . . . . . . 1673 1 431 . 1 1 92 92 VAL HA H 1 3.79 . . 1 . . . . . . . . 1673 1 432 . 1 1 92 92 VAL HG11 H 1 .84 . . 2 . . . . . . . . 1673 1 433 . 1 1 92 92 VAL HG12 H 1 .84 . . 2 . . . . . . . . 1673 1 434 . 1 1 92 92 VAL HG13 H 1 .84 . . 2 . . . . . . . . 1673 1 435 . 1 1 92 92 VAL HG21 H 1 1.86 . . 2 . . . . . . . . 1673 1 436 . 1 1 92 92 VAL HG22 H 1 1.86 . . 2 . . . . . . . . 1673 1 437 . 1 1 92 92 VAL HG23 H 1 1.86 . . 2 . . . . . . . . 1673 1 438 . 1 1 92 92 VAL N N 15 121.4 . . 1 . . . . . . . . 1673 1 439 . 1 1 93 93 GLY H H 1 9.23 . . 1 . . . . . . . . 1673 1 440 . 1 1 93 93 GLY HA2 H 1 3.09 . . 2 . . . . . . . . 1673 1 441 . 1 1 93 93 GLY HA3 H 1 3.48 . . 2 . . . . . . . . 1673 1 442 . 1 1 93 93 GLY N N 15 110.1 . . 1 . . . . . . . . 1673 1 443 . 1 1 94 94 TYR H H 1 6.83 . . 1 . . . . . . . . 1673 1 444 . 1 1 94 94 TYR HA H 1 4.61 . . 1 . . . . . . . . 1673 1 445 . 1 1 94 94 TYR HB2 H 1 2.71 . . 2 . . . . . . . . 1673 1 446 . 1 1 94 94 TYR HB3 H 1 2.57 . . 2 . . . . . . . . 1673 1 447 . 1 1 94 94 TYR N N 15 118.9 . . 1 . . . . . . . . 1673 1 448 . 1 1 95 95 SER H H 1 7.36 . . 1 . . . . . . . . 1673 1 449 . 1 1 95 95 SER HA H 1 4.26 . . 1 . . . . . . . . 1673 1 450 . 1 1 95 95 SER HB2 H 1 3.96 . . 1 . . . . . . . . 1673 1 451 . 1 1 95 95 SER HB3 H 1 3.96 . . 1 . . . . . . . . 1673 1 452 . 1 1 95 95 SER N N 15 114.8 . . 1 . . . . . . . . 1673 1 453 . 1 1 96 96 ASP H H 1 8.39 . . 1 . . . . . . . . 1673 1 454 . 1 1 96 96 ASP HA H 1 5.06 . . 1 . . . . . . . . 1673 1 455 . 1 1 96 96 ASP HB2 H 1 2.9 . . 2 . . . . . . . . 1673 1 456 . 1 1 96 96 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 1673 1 457 . 1 1 96 96 ASP N N 15 119 . . 1 . . . . . . . . 1673 1 458 . 1 1 97 97 ASN H H 1 7.96 . . 1 . . . . . . . . 1673 1 459 . 1 1 97 97 ASN HA H 1 5.45 . . 1 . . . . . . . . 1673 1 460 . 1 1 97 97 ASN HB2 H 1 2.11 . . 2 . . . . . . . . 1673 1 461 . 1 1 97 97 ASN HB3 H 1 3.27 . . 2 . . . . . . . . 1673 1 462 . 1 1 97 97 ASN ND2 N 15 111.6 . . 1 . . . . . . . . 1673 1 463 . 1 1 97 97 ASN HD21 H 1 6.66 . . 2 . . . . . . . . 1673 1 464 . 1 1 97 97 ASN HD22 H 1 8.34 . . 2 . . . . . . . . 1673 1 465 . 1 1 97 97 ASN N N 15 121.6 . . 1 . . . . . . . . 1673 1 466 . 1 1 98 98 PHE H H 1 7.85 . . 1 . . . . . . . . 1673 1 467 . 1 1 98 98 PHE HA H 1 5.31 . . 1 . . . . . . . . 1673 1 468 . 1 1 98 98 PHE HB2 H 1 2.69 . . 2 . . . . . . . . 1673 1 469 . 1 1 98 98 PHE HB3 H 1 3.4 . . 2 . . . . . . . . 1673 1 470 . 1 1 98 98 PHE N N 15 127.1 . . 1 . . . . . . . . 1673 1 471 . 1 1 99 99 GLN H H 1 7.94 . . 1 . . . . . . . . 1673 1 472 . 1 1 99 99 GLN HA H 1 3.54 . . 1 . . . . . . . . 1673 1 473 . 1 1 99 99 GLN HB2 H 1 1.34 . . 1 . . . . . . . . 1673 1 474 . 1 1 99 99 GLN HB3 H 1 1.34 . . 1 . . . . . . . . 1673 1 475 . 1 1 99 99 GLN N N 15 118.2 . . 1 . . . . . . . . 1673 1 476 . 1 1 100 100 ASP H H 1 6.96 . . 1 . . . . . . . . 1673 1 477 . 1 1 100 100 ASP HA H 1 4.16 . . 1 . . . . . . . . 1673 1 478 . 1 1 100 100 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 1673 1 479 . 1 1 100 100 ASP HB3 H 1 2.29 . . 2 . . . . . . . . 1673 1 480 . 1 1 100 100 ASP N N 15 118.4 . . 1 . . . . . . . . 1673 1 481 . 1 1 101 101 ALA H H 1 8.95 . . 1 . . . . . . . . 1673 1 482 . 1 1 101 101 ALA HA H 1 3.69 . . 1 . . . . . . . . 1673 1 483 . 1 1 101 101 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 1673 1 484 . 1 1 101 101 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 1673 1 485 . 1 1 101 101 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 1673 1 486 . 1 1 101 101 ALA N N 15 119.9 . . 1 . . . . . . . . 1673 1 487 . 1 1 102 102 MET H H 1 6.92 . . 1 . . . . . . . . 1673 1 488 . 1 1 102 102 MET HA H 1 3.8 . . 1 . . . . . . . . 1673 1 489 . 1 1 102 102 MET N N 15 115.9 . . 1 . . . . . . . . 1673 1 490 . 1 1 103 103 GLY H H 1 6.98 . . 1 . . . . . . . . 1673 1 491 . 1 1 103 103 GLY HA2 H 1 3.38 . . 2 . . . . . . . . 1673 1 492 . 1 1 103 103 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 1673 1 493 . 1 1 103 103 GLY N N 15 104.6 . . 1 . . . . . . . . 1673 1 494 . 1 1 104 104 ILE H H 1 8.2 . . 1 . . . . . . . . 1673 1 495 . 1 1 104 104 ILE HA H 1 3.69 . . 1 . . . . . . . . 1673 1 496 . 1 1 104 104 ILE N N 15 126 . . 1 . . . . . . . . 1673 1 497 . 1 1 105 105 LEU H H 1 7.86 . . 1 . . . . . . . . 1673 1 498 . 1 1 105 105 LEU HA H 1 3.96 . . 1 . . . . . . . . 1673 1 499 . 1 1 105 105 LEU HB2 H 1 .96 . . 2 . . . . . . . . 1673 1 500 . 1 1 105 105 LEU HB3 H 1 1.46 . . 2 . . . . . . . . 1673 1 501 . 1 1 105 105 LEU HG H 1 1.61 . . 1 . . . . . . . . 1673 1 502 . 1 1 105 105 LEU HD11 H 1 .24 . . 2 . . . . . . . . 1673 1 503 . 1 1 105 105 LEU HD12 H 1 .24 . . 2 . . . . . . . . 1673 1 504 . 1 1 105 105 LEU HD13 H 1 .24 . . 2 . . . . . . . . 1673 1 505 . 1 1 105 105 LEU HD21 H 1 .61 . . 2 . . . . . . . . 1673 1 506 . 1 1 105 105 LEU HD22 H 1 .61 . . 2 . . . . . . . . 1673 1 507 . 1 1 105 105 LEU HD23 H 1 .61 . . 2 . . . . . . . . 1673 1 508 . 1 1 105 105 LEU N N 15 121 . . 1 . . . . . . . . 1673 1 509 . 1 1 106 106 GLU H H 1 7.68 . . 1 . . . . . . . . 1673 1 510 . 1 1 106 106 GLU HA H 1 3.82 . . 1 . . . . . . . . 1673 1 511 . 1 1 106 106 GLU N N 15 121.4 . . 1 . . . . . . . . 1673 1 512 . 1 1 107 107 GLU H H 1 8.05 . . 1 . . . . . . . . 1673 1 513 . 1 1 107 107 GLU HA H 1 3.73 . . 1 . . . . . . . . 1673 1 514 . 1 1 107 107 GLU N N 15 121.8 . . 1 . . . . . . . . 1673 1 515 . 1 1 108 108 LYS H H 1 7.21 . . 1 . . . . . . . . 1673 1 516 . 1 1 108 108 LYS HA H 1 4.14 . . 1 . . . . . . . . 1673 1 517 . 1 1 108 108 LYS N N 15 119.2 . . 1 . . . . . . . . 1673 1 518 . 1 1 109 109 ILE H H 1 8.74 . . 1 . . . . . . . . 1673 1 519 . 1 1 109 109 ILE HA H 1 3.01 . . 1 . . . . . . . . 1673 1 520 . 1 1 109 109 ILE N N 15 123.3 . . 1 . . . . . . . . 1673 1 521 . 1 1 110 110 SER H H 1 9.02 . . 1 . . . . . . . . 1673 1 522 . 1 1 110 110 SER HA H 1 4.3 . . 1 . . . . . . . . 1673 1 523 . 1 1 110 110 SER HB2 H 1 3.92 . . 1 . . . . . . . . 1673 1 524 . 1 1 110 110 SER HB3 H 1 3.92 . . 1 . . . . . . . . 1673 1 525 . 1 1 110 110 SER N N 15 120.8 . . 1 . . . . . . . . 1673 1 526 . 1 1 111 111 SER H H 1 7.41 . . 1 . . . . . . . . 1673 1 527 . 1 1 111 111 SER HA H 1 4.47 . . 1 . . . . . . . . 1673 1 528 . 1 1 111 111 SER HB2 H 1 4.12 . . 2 . . . . . . . . 1673 1 529 . 1 1 111 111 SER HB3 H 1 4.2 . . 2 . . . . . . . . 1673 1 530 . 1 1 111 111 SER N N 15 121.5 . . 1 . . . . . . . . 1673 1 531 . 1 1 112 112 LEU H H 1 7.21 . . 1 . . . . . . . . 1673 1 532 . 1 1 112 112 LEU HA H 1 4.63 . . 1 . . . . . . . . 1673 1 533 . 1 1 112 112 LEU N N 15 123.4 . . 1 . . . . . . . . 1673 1 534 . 1 1 113 113 GLY H H 1 7.81 . . 1 . . . . . . . . 1673 1 535 . 1 1 113 113 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 1673 1 536 . 1 1 113 113 GLY HA3 H 1 4.46 . . 2 . . . . . . . . 1673 1 537 . 1 1 113 113 GLY N N 15 106.7 . . 1 . . . . . . . . 1673 1 538 . 1 1 114 114 SER H H 1 7 . . 1 . . . . . . . . 1673 1 539 . 1 1 114 114 SER HA H 1 4.84 . . 1 . . . . . . . . 1673 1 540 . 1 1 114 114 SER HB2 H 1 3.76 . . 2 . . . . . . . . 1673 1 541 . 1 1 114 114 SER HB3 H 1 3.92 . . 2 . . . . . . . . 1673 1 542 . 1 1 114 114 SER N N 15 115.7 . . 1 . . . . . . . . 1673 1 543 . 1 1 115 115 GLN H H 1 8.66 . . 1 . . . . . . . . 1673 1 544 . 1 1 115 115 GLN HA H 1 4.76 . . 1 . . . . . . . . 1673 1 545 . 1 1 115 115 GLN N N 15 122.5 . . 1 . . . . . . . . 1673 1 546 . 1 1 116 116 THR H H 1 8.82 . . 1 . . . . . . . . 1673 1 547 . 1 1 116 116 THR HA H 1 5.29 . . 1 . . . . . . . . 1673 1 548 . 1 1 116 116 THR HB H 1 4.24 . . 1 . . . . . . . . 1673 1 549 . 1 1 116 116 THR N N 15 128.1 . . 1 . . . . . . . . 1673 1 550 . 1 1 117 117 VAL H H 1 8.22 . . 1 . . . . . . . . 1673 1 551 . 1 1 117 117 VAL HA H 1 4.67 . . 1 . . . . . . . . 1673 1 552 . 1 1 117 117 VAL HB H 1 2.11 . . 1 . . . . . . . . 1673 1 553 . 1 1 117 117 VAL HG11 H 1 .56 . . 2 . . . . . . . . 1673 1 554 . 1 1 117 117 VAL HG12 H 1 .56 . . 2 . . . . . . . . 1673 1 555 . 1 1 117 117 VAL HG13 H 1 .56 . . 2 . . . . . . . . 1673 1 556 . 1 1 117 117 VAL HG21 H 1 .96 . . 2 . . . . . . . . 1673 1 557 . 1 1 117 117 VAL HG22 H 1 .96 . . 2 . . . . . . . . 1673 1 558 . 1 1 117 117 VAL HG23 H 1 .96 . . 2 . . . . . . . . 1673 1 559 . 1 1 117 117 VAL N N 15 123.6 . . 1 . . . . . . . . 1673 1 560 . 1 1 118 118 GLY H H 1 9.13 . . 1 . . . . . . . . 1673 1 561 . 1 1 118 118 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 1673 1 562 . 1 1 118 118 GLY HA3 H 1 4.69 . . 2 . . . . . . . . 1673 1 563 . 1 1 118 118 GLY N N 15 109.1 . . 1 . . . . . . . . 1673 1 564 . 1 1 119 119 TYR H H 1 7.31 . . 1 . . . . . . . . 1673 1 565 . 1 1 119 119 TYR HA H 1 4.42 . . 1 . . . . . . . . 1673 1 566 . 1 1 119 119 TYR HB2 H 1 2.95 . . 2 . . . . . . . . 1673 1 567 . 1 1 119 119 TYR HB3 H 1 2.82 . . 2 . . . . . . . . 1673 1 568 . 1 1 119 119 TYR N N 15 117.7 . . 1 . . . . . . . . 1673 1 569 . 1 1 120 120 TRP H H 1 8.78 . . 1 . . . . . . . . 1673 1 570 . 1 1 120 120 TRP HA H 1 5.93 . . 1 . . . . . . . . 1673 1 571 . 1 1 120 120 TRP HB2 H 1 3.06 . . 2 . . . . . . . . 1673 1 572 . 1 1 120 120 TRP HB3 H 1 3.37 . . 2 . . . . . . . . 1673 1 573 . 1 1 120 120 TRP NE1 N 15 129.6 . . 1 . . . . . . . . 1673 1 574 . 1 1 120 120 TRP HD1 H 1 7.26 . . 1 . . . . . . . . 1673 1 575 . 1 1 120 120 TRP HE1 H 1 10.32 . . 1 . . . . . . . . 1673 1 576 . 1 1 120 120 TRP HE3 H 1 8.25 . . 1 . . . . . . . . 1673 1 577 . 1 1 120 120 TRP HZ2 H 1 7.58 . . 1 . . . . . . . . 1673 1 578 . 1 1 120 120 TRP HZ3 H 1 7.27 . . 1 . . . . . . . . 1673 1 579 . 1 1 120 120 TRP HH2 H 1 7.4 . . 1 . . . . . . . . 1673 1 580 . 1 1 120 120 TRP N N 15 126.5 . . 1 . . . . . . . . 1673 1 581 . 1 1 122 122 ILE H H 1 7.63 . . 1 . . . . . . . . 1673 1 582 . 1 1 122 122 ILE HA H 1 4.59 . . 1 . . . . . . . . 1673 1 583 . 1 1 122 122 ILE N N 15 114.5 . . 1 . . . . . . . . 1673 1 584 . 1 1 123 123 GLU H H 1 7.36 . . 1 . . . . . . . . 1673 1 585 . 1 1 123 123 GLU HA H 1 4.26 . . 1 . . . . . . . . 1673 1 586 . 1 1 123 123 GLU N N 15 124.7 . . 1 . . . . . . . . 1673 1 587 . 1 1 124 124 GLY H H 1 9.11 . . 1 . . . . . . . . 1673 1 588 . 1 1 124 124 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 1673 1 589 . 1 1 124 124 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 1673 1 590 . 1 1 124 124 GLY N N 15 113.4 . . 1 . . . . . . . . 1673 1 591 . 1 1 125 125 TYR H H 1 7.63 . . 1 . . . . . . . . 1673 1 592 . 1 1 125 125 TYR HA H 1 5.09 . . 1 . . . . . . . . 1673 1 593 . 1 1 125 125 TYR HB2 H 1 3.3 . . 2 . . . . . . . . 1673 1 594 . 1 1 125 125 TYR HB3 H 1 2.99 . . 2 . . . . . . . . 1673 1 595 . 1 1 125 125 TYR N N 15 118.1 . . 1 . . . . . . . . 1673 1 596 . 1 1 126 126 ASP H H 1 9.27 . . 1 . . . . . . . . 1673 1 597 . 1 1 126 126 ASP HA H 1 4.97 . . 1 . . . . . . . . 1673 1 598 . 1 1 126 126 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 1673 1 599 . 1 1 126 126 ASP HB3 H 1 2.43 . . 2 . . . . . . . . 1673 1 600 . 1 1 126 126 ASP N N 15 125.1 . . 1 . . . . . . . . 1673 1 601 . 1 1 127 127 PHE H H 1 7.54 . . 1 . . . . . . . . 1673 1 602 . 1 1 127 127 PHE HA H 1 4.89 . . 1 . . . . . . . . 1673 1 603 . 1 1 127 127 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 1673 1 604 . 1 1 127 127 PHE HB3 H 1 3.31 . . 2 . . . . . . . . 1673 1 605 . 1 1 127 127 PHE N N 15 118.7 . . 1 . . . . . . . . 1673 1 606 . 1 1 128 128 ASN H H 1 9.04 . . 1 . . . . . . . . 1673 1 607 . 1 1 128 128 ASN HA H 1 4.79 . . 1 . . . . . . . . 1673 1 608 . 1 1 128 128 ASN N N 15 120.8 . . 1 . . . . . . . . 1673 1 609 . 1 1 129 129 GLU H H 1 8.9 . . 1 . . . . . . . . 1673 1 610 . 1 1 129 129 GLU HA H 1 4.83 . . 1 . . . . . . . . 1673 1 611 . 1 1 129 129 GLU N N 15 119.9 . . 1 . . . . . . . . 1673 1 612 . 1 1 130 130 SER H H 1 8.37 . . 1 . . . . . . . . 1673 1 613 . 1 1 130 130 SER HA H 1 4.86 . . 1 . . . . . . . . 1673 1 614 . 1 1 130 130 SER HB2 H 1 3.42 . . 2 . . . . . . . . 1673 1 615 . 1 1 130 130 SER HB3 H 1 3.96 . . 2 . . . . . . . . 1673 1 616 . 1 1 130 130 SER N N 15 113.7 . . 1 . . . . . . . . 1673 1 617 . 1 1 130 130 SER HG H 1 5.94 . . 1 . . . . . . . . 1673 1 618 . 1 1 131 131 LYS H H 1 9.24 . . 1 . . . . . . . . 1673 1 619 . 1 1 131 131 LYS HA H 1 4.43 . . 1 . . . . . . . . 1673 1 620 . 1 1 131 131 LYS N N 15 129.4 . . 1 . . . . . . . . 1673 1 621 . 1 1 132 132 ALA H H 1 8.81 . . 1 . . . . . . . . 1673 1 622 . 1 1 132 132 ALA HA H 1 4.19 . . 1 . . . . . . . . 1673 1 623 . 1 1 132 132 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 1673 1 624 . 1 1 132 132 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 1673 1 625 . 1 1 132 132 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 1673 1 626 . 1 1 132 132 ALA N N 15 121.2 . . 1 . . . . . . . . 1673 1 627 . 1 1 133 133 VAL H H 1 6.83 . . 1 . . . . . . . . 1673 1 628 . 1 1 133 133 VAL HA H 1 4.65 . . 1 . . . . . . . . 1673 1 629 . 1 1 133 133 VAL HB H 1 1.92 . . 1 . . . . . . . . 1673 1 630 . 1 1 133 133 VAL HG11 H 1 .5 . . 2 . . . . . . . . 1673 1 631 . 1 1 133 133 VAL HG12 H 1 .5 . . 2 . . . . . . . . 1673 1 632 . 1 1 133 133 VAL HG13 H 1 .5 . . 2 . . . . . . . . 1673 1 633 . 1 1 133 133 VAL HG21 H 1 .76 . . 2 . . . . . . . . 1673 1 634 . 1 1 133 133 VAL HG22 H 1 .76 . . 2 . . . . . . . . 1673 1 635 . 1 1 133 133 VAL HG23 H 1 .76 . . 2 . . . . . . . . 1673 1 636 . 1 1 133 133 VAL N N 15 119.4 . . 1 . . . . . . . . 1673 1 637 . 1 1 134 134 ARG H H 1 9.19 . . 1 . . . . . . . . 1673 1 638 . 1 1 134 134 ARG HA H 1 4.57 . . 1 . . . . . . . . 1673 1 639 . 1 1 134 134 ARG N N 15 129.4 . . 1 . . . . . . . . 1673 1 640 . 1 1 135 135 ASN H H 1 9.36 . . 1 . . . . . . . . 1673 1 641 . 1 1 135 135 ASN HA H 1 4.22 . . 1 . . . . . . . . 1673 1 642 . 1 1 135 135 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 1673 1 643 . 1 1 135 135 ASN HB3 H 1 2.93 . . 2 . . . . . . . . 1673 1 644 . 1 1 135 135 ASN N N 15 126.5 . . 1 . . . . . . . . 1673 1 645 . 1 1 136 136 ASN H H 1 8.54 . . 1 . . . . . . . . 1673 1 646 . 1 1 136 136 ASN HA H 1 4.21 . . 1 . . . . . . . . 1673 1 647 . 1 1 136 136 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 1673 1 648 . 1 1 136 136 ASN HB3 H 1 3.04 . . 2 . . . . . . . . 1673 1 649 . 1 1 136 136 ASN N N 15 114.1 . . 1 . . . . . . . . 1673 1 650 . 1 1 137 137 GLN H H 1 7.65 . . 1 . . . . . . . . 1673 1 651 . 1 1 137 137 GLN HA H 1 4.77 . . 1 . . . . . . . . 1673 1 652 . 1 1 137 137 GLN NE2 N 15 111.3 . . 1 . . . . . . . . 1673 1 653 . 1 1 137 137 GLN HE21 H 1 6.49 . . 2 . . . . . . . . 1673 1 654 . 1 1 137 137 GLN HE22 H 1 7.14 . . 2 . . . . . . . . 1673 1 655 . 1 1 137 137 GLN N N 15 116.9 . . 1 . . . . . . . . 1673 1 656 . 1 1 138 138 PHE H H 1 9.82 . . 1 . . . . . . . . 1673 1 657 . 1 1 138 138 PHE HA H 1 5.22 . . 1 . . . . . . . . 1673 1 658 . 1 1 138 138 PHE HB2 H 1 3.33 . . 2 . . . . . . . . 1673 1 659 . 1 1 138 138 PHE HB3 H 1 3.58 . . 2 . . . . . . . . 1673 1 660 . 1 1 138 138 PHE N N 15 121.1 . . 1 . . . . . . . . 1673 1 661 . 1 1 139 139 VAL H H 1 8.46 . . 1 . . . . . . . . 1673 1 662 . 1 1 139 139 VAL HA H 1 3.96 . . 1 . . . . . . . . 1673 1 663 . 1 1 139 139 VAL N N 15 113.4 . . 1 . . . . . . . . 1673 1 664 . 1 1 140 140 GLY H H 1 6.64 . . 1 . . . . . . . . 1673 1 665 . 1 1 140 140 GLY HA2 H 1 4.51 . . 2 . . . . . . . . 1673 1 666 . 1 1 140 140 GLY HA3 H 1 4.61 . . 2 . . . . . . . . 1673 1 667 . 1 1 140 140 GLY N N 15 104.4 . . 1 . . . . . . . . 1673 1 668 . 1 1 141 141 LEU H H 1 7.08 . . 1 . . . . . . . . 1673 1 669 . 1 1 141 141 LEU HA H 1 2.53 . . 1 . . . . . . . . 1673 1 670 . 1 1 141 141 LEU N N 15 119 . . 1 . . . . . . . . 1673 1 671 . 1 1 142 142 ALA H H 1 5.24 . . 1 . . . . . . . . 1673 1 672 . 1 1 142 142 ALA HA H 1 3.99 . . 1 . . . . . . . . 1673 1 673 . 1 1 142 142 ALA HB1 H 1 0 . . 1 . . . . . . . . 1673 1 674 . 1 1 142 142 ALA HB2 H 1 0 . . 1 . . . . . . . . 1673 1 675 . 1 1 142 142 ALA HB3 H 1 0 . . 1 . . . . . . . . 1673 1 676 . 1 1 142 142 ALA N N 15 129 . . 1 . . . . . . . . 1673 1 677 . 1 1 143 143 ILE H H 1 8.78 . . 1 . . . . . . . . 1673 1 678 . 1 1 143 143 ILE HA H 1 4.33 . . 1 . . . . . . . . 1673 1 679 . 1 1 143 143 ILE N N 15 128.4 . . 1 . . . . . . . . 1673 1 680 . 1 1 144 144 ASP H H 1 8.16 . . 1 . . . . . . . . 1673 1 681 . 1 1 144 144 ASP HA H 1 5.66 . . 1 . . . . . . . . 1673 1 682 . 1 1 144 144 ASP HB2 H 1 3.06 . . 2 . . . . . . . . 1673 1 683 . 1 1 144 144 ASP HB3 H 1 2.57 . . 2 . . . . . . . . 1673 1 684 . 1 1 144 144 ASP N N 15 126.1 . . 1 . . . . . . . . 1673 1 685 . 1 1 145 145 GLU H H 1 9.69 . . 1 . . . . . . . . 1673 1 686 . 1 1 145 145 GLU HA H 1 4.24 . . 1 . . . . . . . . 1673 1 687 . 1 1 145 145 GLU N N 15 129 . . 1 . . . . . . . . 1673 1 688 . 1 1 146 146 ASP H H 1 8.21 . . 1 . . . . . . . . 1673 1 689 . 1 1 146 146 ASP HA H 1 4.61 . . 1 . . . . . . . . 1673 1 690 . 1 1 146 146 ASP HB2 H 1 2.89 . . 2 . . . . . . . . 1673 1 691 . 1 1 146 146 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 1673 1 692 . 1 1 146 146 ASP N N 15 121.9 . . 1 . . . . . . . . 1673 1 693 . 1 1 147 147 ASN H H 1 9.26 . . 1 . . . . . . . . 1673 1 694 . 1 1 147 147 ASN HA H 1 5.01 . . 1 . . . . . . . . 1673 1 695 . 1 1 147 147 ASN HB2 H 1 2.41 . . 2 . . . . . . . . 1673 1 696 . 1 1 147 147 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 1673 1 697 . 1 1 147 147 ASN ND2 N 15 126.6 . . 1 . . . . . . . . 1673 1 698 . 1 1 147 147 ASN HD21 H 1 8.32 . . 2 . . . . . . . . 1673 1 699 . 1 1 147 147 ASN HD22 H 1 9.95 . . 2 . . . . . . . . 1673 1 700 . 1 1 147 147 ASN N N 15 114.5 . . 1 . . . . . . . . 1673 1 701 . 1 1 148 148 GLN H H 1 7.84 . . 1 . . . . . . . . 1673 1 702 . 1 1 148 148 GLN HA H 1 5.17 . . 1 . . . . . . . . 1673 1 703 . 1 1 148 148 GLN N N 15 117.8 . . 1 . . . . . . . . 1673 1 704 . 1 1 150 150 ASP H H 1 9.26 . . 1 . . . . . . . . 1673 1 705 . 1 1 150 150 ASP HA H 1 4.48 . . 1 . . . . . . . . 1673 1 706 . 1 1 150 150 ASP HB2 H 1 2.77 . . 2 . . . . . . . . 1673 1 707 . 1 1 150 150 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 1673 1 708 . 1 1 150 150 ASP N N 15 118.7 . . 1 . . . . . . . . 1673 1 709 . 1 1 151 151 LEU H H 1 8.39 . . 1 . . . . . . . . 1673 1 710 . 1 1 151 151 LEU HA H 1 4.89 . . 1 . . . . . . . . 1673 1 711 . 1 1 151 151 LEU N N 15 118.6 . . 1 . . . . . . . . 1673 1 712 . 1 1 152 152 THR H H 1 7.38 . . 1 . . . . . . . . 1673 1 713 . 1 1 152 152 THR HA H 1 4.32 . . 1 . . . . . . . . 1673 1 714 . 1 1 152 152 THR HB H 1 3.56 . . 1 . . . . . . . . 1673 1 715 . 1 1 152 152 THR HG21 H 1 1.15 . . 1 . . . . . . . . 1673 1 716 . 1 1 152 152 THR HG22 H 1 1.15 . . 1 . . . . . . . . 1673 1 717 . 1 1 152 152 THR HG23 H 1 1.15 . . 1 . . . . . . . . 1673 1 718 . 1 1 152 152 THR N N 15 119.8 . . 1 . . . . . . . . 1673 1 719 . 1 1 153 153 LYS H H 1 8.96 . . 1 . . . . . . . . 1673 1 720 . 1 1 153 153 LYS HA H 1 3.89 . . 1 . . . . . . . . 1673 1 721 . 1 1 153 153 LYS N N 15 122.4 . . 1 . . . . . . . . 1673 1 722 . 1 1 154 154 ASN H H 1 8.77 . . 1 . . . . . . . . 1673 1 723 . 1 1 154 154 ASN HA H 1 4.57 . . 1 . . . . . . . . 1673 1 724 . 1 1 154 154 ASN HB2 H 1 2.69 . . 2 . . . . . . . . 1673 1 725 . 1 1 154 154 ASN HB3 H 1 2.79 . . 2 . . . . . . . . 1673 1 726 . 1 1 154 154 ASN N N 15 118.8 . . 1 . . . . . . . . 1673 1 727 . 1 1 155 155 ARG H H 1 8.24 . . 1 . . . . . . . . 1673 1 728 . 1 1 155 155 ARG HA H 1 4.24 . . 1 . . . . . . . . 1673 1 729 . 1 1 155 155 ARG N N 15 123.6 . . 1 . . . . . . . . 1673 1 730 . 1 1 156 156 ILE H H 1 8.28 . . 1 . . . . . . . . 1673 1 731 . 1 1 156 156 ILE HA H 1 3.36 . . 1 . . . . . . . . 1673 1 732 . 1 1 156 156 ILE N N 15 118.5 . . 1 . . . . . . . . 1673 1 733 . 1 1 157 157 LYS H H 1 8.05 . . 1 . . . . . . . . 1673 1 734 . 1 1 157 157 LYS HA H 1 3.65 . . 1 . . . . . . . . 1673 1 735 . 1 1 157 157 LYS N N 15 119.5 . . 1 . . . . . . . . 1673 1 736 . 1 1 158 158 THR H H 1 8.34 . . 1 . . . . . . . . 1673 1 737 . 1 1 158 158 THR HA H 1 4.03 . . 1 . . . . . . . . 1673 1 738 . 1 1 158 158 THR HB H 1 4.66 . . 1 . . . . . . . . 1673 1 739 . 1 1 158 158 THR HG21 H 1 1.63 . . 1 . . . . . . . . 1673 1 740 . 1 1 158 158 THR HG22 H 1 1.63 . . 1 . . . . . . . . 1673 1 741 . 1 1 158 158 THR HG23 H 1 1.63 . . 1 . . . . . . . . 1673 1 742 . 1 1 158 158 THR N N 15 117.8 . . 1 . . . . . . . . 1673 1 743 . 1 1 159 159 TRP H H 1 8.83 . . 1 . . . . . . . . 1673 1 744 . 1 1 159 159 TRP HA H 1 4.46 . . 1 . . . . . . . . 1673 1 745 . 1 1 159 159 TRP HB2 H 1 2.71 . . 2 . . . . . . . . 1673 1 746 . 1 1 159 159 TRP HB3 H 1 2.96 . . 2 . . . . . . . . 1673 1 747 . 1 1 159 159 TRP NE1 N 15 134.6 . . 1 . . . . . . . . 1673 1 748 . 1 1 159 159 TRP HD1 H 1 7.53 . . 1 . . . . . . . . 1673 1 749 . 1 1 159 159 TRP HE1 H 1 11.41 . . 1 . . . . . . . . 1673 1 750 . 1 1 159 159 TRP HE3 H 1 6.95 . . 1 . . . . . . . . 1673 1 751 . 1 1 159 159 TRP HZ2 H 1 8.33 . . 1 . . . . . . . . 1673 1 752 . 1 1 159 159 TRP HZ3 H 1 6.56 . . 1 . . . . . . . . 1673 1 753 . 1 1 159 159 TRP HH2 H 1 6.78 . . 1 . . . . . . . . 1673 1 754 . 1 1 159 159 TRP N N 15 126.9 . . 1 . . . . . . . . 1673 1 755 . 1 1 160 160 VAL H H 1 8.9 . . 1 . . . . . . . . 1673 1 756 . 1 1 160 160 VAL HA H 1 3.52 . . 1 . . . . . . . . 1673 1 757 . 1 1 160 160 VAL HB H 1 1.86 . . 1 . . . . . . . . 1673 1 758 . 1 1 160 160 VAL HG11 H 1 .26 . . 2 . . . . . . . . 1673 1 759 . 1 1 160 160 VAL HG12 H 1 .26 . . 2 . . . . . . . . 1673 1 760 . 1 1 160 160 VAL HG13 H 1 .26 . . 2 . . . . . . . . 1673 1 761 . 1 1 160 160 VAL HG21 H 1 .95 . . 2 . . . . . . . . 1673 1 762 . 1 1 160 160 VAL HG22 H 1 .95 . . 2 . . . . . . . . 1673 1 763 . 1 1 160 160 VAL HG23 H 1 .95 . . 2 . . . . . . . . 1673 1 764 . 1 1 160 160 VAL N N 15 118.4 . . 1 . . . . . . . . 1673 1 765 . 1 1 161 161 SER H H 1 7.46 . . 1 . . . . . . . . 1673 1 766 . 1 1 161 161 SER HA H 1 4.03 . . 1 . . . . . . . . 1673 1 767 . 1 1 161 161 SER HB2 H 1 3.98 . . 1 . . . . . . . . 1673 1 768 . 1 1 161 161 SER HB3 H 1 3.98 . . 1 . . . . . . . . 1673 1 769 . 1 1 161 161 SER N N 15 114.6 . . 1 . . . . . . . . 1673 1 770 . 1 1 162 162 GLN H H 1 7.56 . . 1 . . . . . . . . 1673 1 771 . 1 1 162 162 GLN HA H 1 4.18 . . 1 . . . . . . . . 1673 1 772 . 1 1 162 162 GLN N N 15 123.1 . . 1 . . . . . . . . 1673 1 773 . 1 1 163 163 LEU H H 1 8.36 . . 1 . . . . . . . . 1673 1 774 . 1 1 163 163 LEU HA H 1 3.51 . . 1 . . . . . . . . 1673 1 775 . 1 1 163 163 LEU N N 15 122.3 . . 1 . . . . . . . . 1673 1 776 . 1 1 164 164 LYS H H 1 8.31 . . 1 . . . . . . . . 1673 1 777 . 1 1 164 164 LYS HA H 1 3.83 . . 1 . . . . . . . . 1673 1 778 . 1 1 164 164 LYS N N 15 119.4 . . 1 . . . . . . . . 1673 1 779 . 1 1 165 165 SER H H 1 7.28 . . 1 . . . . . . . . 1673 1 780 . 1 1 165 165 SER HA H 1 3.83 . . 1 . . . . . . . . 1673 1 781 . 1 1 165 165 SER HB2 H 1 1.29 . . 2 . . . . . . . . 1673 1 782 . 1 1 165 165 SER HB3 H 1 1.84 . . 2 . . . . . . . . 1673 1 783 . 1 1 165 165 SER N N 15 113 . . 1 . . . . . . . . 1673 1 784 . 1 1 166 166 GLU H H 1 7.96 . . 1 . . . . . . . . 1673 1 785 . 1 1 166 166 GLU HA H 1 4.25 . . 1 . . . . . . . . 1673 1 786 . 1 1 166 166 GLU N N 15 123.1 . . 1 . . . . . . . . 1673 1 787 . 1 1 167 167 PHE H H 1 8.49 . . 1 . . . . . . . . 1673 1 788 . 1 1 167 167 PHE HA H 1 4.49 . . 1 . . . . . . . . 1673 1 789 . 1 1 167 167 PHE HB2 H 1 2.83 . . 2 . . . . . . . . 1673 1 790 . 1 1 167 167 PHE HB3 H 1 2.86 . . 2 . . . . . . . . 1673 1 791 . 1 1 167 167 PHE N N 15 117.7 . . 1 . . . . . . . . 1673 1 792 . 1 1 168 168 GLY H H 1 7.56 . . 1 . . . . . . . . 1673 1 793 . 1 1 168 168 GLY HA2 H 1 3.96 . . 2 . . . . . . . . 1673 1 794 . 1 1 168 168 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 1673 1 795 . 1 1 168 168 GLY N N 15 108.4 . . 1 . . . . . . . . 1673 1 796 . 1 1 169 169 LEU H H 1 7.9 . . 1 . . . . . . . . 1673 1 797 . 1 1 169 169 LEU HA H 1 4.29 . . 1 . . . . . . . . 1673 1 798 . 1 1 169 169 LEU N N 15 127.6 . . 1 . . . . . . . . 1673 1 stop_ save_