data_7122 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7122 _Entry.Title ; Structural Studies of MJ1529, an O6 Methylguanine DNA Methyltransferase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-18 _Entry.Accession_date 2006-06-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 A. Roberts . . . 7122 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7122 coupling_constants 1 7122 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 580 7122 '15N chemical shifts' 147 7122 '1H chemical shifts' 920 7122 'coupling constants' 101 7122 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-10-19 . original author 'original release' 7122 1 . . 2007-01-11 . update author 'addition of chemical shifts' 7122 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G7H 'BMRB Entry Tracking System' 7122 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7122 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16826543 _Citation.Full_citation . _Citation.Title 'Structural Studies of MJ1529, an O6 Methylguanine DNA Methyltransferase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Magn. Reson. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue S1 _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 S71 _Citation.Page_last S82 _Citation.Year 2006 _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 A. Roberts . . . 7122 1 2 J. Pelton . G. . 7122 1 3 D. Wemmer . E. . 7122 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA Methyltransferase' 7122 1 'DNA Repair' 7122 1 NMR 7122 1 'protein structure' 7122 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mj1529 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mj1529 _Assembly.Entry_ID 7122 _Assembly.ID 1 _Assembly.Name 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7122 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Methylated-DNA--protein-cysteine methyltransferase' 1 $Mj1529 . . . native . . . . . 7122 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2G7H . . . . . . 7122 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' system 7122 1 Mj1529 abbreviation 7122 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mj1529 _Entity.Sf_category entity _Entity.Sf_framecode Mj1529 _Entity.Entry_ID 7122 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' _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 ; MIIQIEEYFIGMIFKGNQLV RNTIPLRREEIFNFMDGEVV SNPEDEHLKVAEIILKLYFA EIDDKKVRELISYKLEVPEF TKKVLDIVKDIEFGKTLTYG DIAKKLNTSPRAVGMALKRN PLPLIIPCHRVVAKNSLGGY SYGLDKKKFILERERLNMVS FKFNKVY ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2G7H . "Structure Of An O6-Methylguanine Dna Methyltransferase From Methanococcus Jannaschii (Mj1529)" . . . . . 99.40 167 100.00 100.00 7.43e-114 . . . . 7122 1 2 no GB AAB99547 . "methylated-DNA-protein-cysteine methyltransferase, putative (ogt) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 167 100.00 100.00 8.44e-115 . . . . 7122 1 3 no REF NP_248537 . "methylated-DNA-protein-cysteine methyltransferase [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 167 100.00 100.00 8.44e-115 . . . . 7122 1 4 no REF WP_010871053 . "methylated-DNA--protein-cysteine methyltransferase [Methanocaldococcus jannaschii]" . . . . . 100.00 167 100.00 100.00 8.44e-115 . . . . 7122 1 5 no SP Q58924 . "RecName: Full=Methylated-DNA--protein-cysteine methyltransferase; AltName: Full=6-O-methylguanine-DNA methyltransferase; Short=" . . . . . 100.00 167 100.00 100.00 8.44e-115 . . . . 7122 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' common 7122 1 Mj1529 abbreviation 7122 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 1 MET . 7122 1 2 2 ILE . 7122 1 3 3 ILE . 7122 1 4 4 GLN . 7122 1 5 5 ILE . 7122 1 6 6 GLU . 7122 1 7 7 GLU . 7122 1 8 8 TYR . 7122 1 9 9 PHE . 7122 1 10 10 ILE . 7122 1 11 11 GLY . 7122 1 12 12 MET . 7122 1 13 13 ILE . 7122 1 14 14 PHE . 7122 1 15 15 LYS . 7122 1 16 16 GLY . 7122 1 17 17 ASN . 7122 1 18 18 GLN . 7122 1 19 19 LEU . 7122 1 20 20 VAL . 7122 1 21 21 ARG . 7122 1 22 22 ASN . 7122 1 23 23 THR . 7122 1 24 24 ILE . 7122 1 25 25 PRO . 7122 1 26 26 LEU . 7122 1 27 27 ARG . 7122 1 28 28 ARG . 7122 1 29 29 GLU . 7122 1 30 30 GLU . 7122 1 31 31 ILE . 7122 1 32 32 PHE . 7122 1 33 33 ASN . 7122 1 34 34 PHE . 7122 1 35 35 MET . 7122 1 36 36 ASP . 7122 1 37 37 GLY . 7122 1 38 38 GLU . 7122 1 39 39 VAL . 7122 1 40 40 VAL . 7122 1 41 41 SER . 7122 1 42 42 ASN . 7122 1 43 43 PRO . 7122 1 44 44 GLU . 7122 1 45 45 ASP . 7122 1 46 46 GLU . 7122 1 47 47 HIS . 7122 1 48 48 LEU . 7122 1 49 49 LYS . 7122 1 50 50 VAL . 7122 1 51 51 ALA . 7122 1 52 52 GLU . 7122 1 53 53 ILE . 7122 1 54 54 ILE . 7122 1 55 55 LEU . 7122 1 56 56 LYS . 7122 1 57 57 LEU . 7122 1 58 58 TYR . 7122 1 59 59 PHE . 7122 1 60 60 ALA . 7122 1 61 61 GLU . 7122 1 62 62 ILE . 7122 1 63 63 ASP . 7122 1 64 64 ASP . 7122 1 65 65 LYS . 7122 1 66 66 LYS . 7122 1 67 67 VAL . 7122 1 68 68 ARG . 7122 1 69 69 GLU . 7122 1 70 70 LEU . 7122 1 71 71 ILE . 7122 1 72 72 SER . 7122 1 73 73 TYR . 7122 1 74 74 LYS . 7122 1 75 75 LEU . 7122 1 76 76 GLU . 7122 1 77 77 VAL . 7122 1 78 78 PRO . 7122 1 79 79 GLU . 7122 1 80 80 PHE . 7122 1 81 81 THR . 7122 1 82 82 LYS . 7122 1 83 83 LYS . 7122 1 84 84 VAL . 7122 1 85 85 LEU . 7122 1 86 86 ASP . 7122 1 87 87 ILE . 7122 1 88 88 VAL . 7122 1 89 89 LYS . 7122 1 90 90 ASP . 7122 1 91 91 ILE . 7122 1 92 92 GLU . 7122 1 93 93 PHE . 7122 1 94 94 GLY . 7122 1 95 95 LYS . 7122 1 96 96 THR . 7122 1 97 97 LEU . 7122 1 98 98 THR . 7122 1 99 99 TYR . 7122 1 100 100 GLY . 7122 1 101 101 ASP . 7122 1 102 102 ILE . 7122 1 103 103 ALA . 7122 1 104 104 LYS . 7122 1 105 105 LYS . 7122 1 106 106 LEU . 7122 1 107 107 ASN . 7122 1 108 108 THR . 7122 1 109 109 SER . 7122 1 110 110 PRO . 7122 1 111 111 ARG . 7122 1 112 112 ALA . 7122 1 113 113 VAL . 7122 1 114 114 GLY . 7122 1 115 115 MET . 7122 1 116 116 ALA . 7122 1 117 117 LEU . 7122 1 118 118 LYS . 7122 1 119 119 ARG . 7122 1 120 120 ASN . 7122 1 121 121 PRO . 7122 1 122 122 LEU . 7122 1 123 123 PRO . 7122 1 124 124 LEU . 7122 1 125 125 ILE . 7122 1 126 126 ILE . 7122 1 127 127 PRO . 7122 1 128 128 CYS . 7122 1 129 129 HIS . 7122 1 130 130 ARG . 7122 1 131 131 VAL . 7122 1 132 132 VAL . 7122 1 133 133 ALA . 7122 1 134 134 LYS . 7122 1 135 135 ASN . 7122 1 136 136 SER . 7122 1 137 137 LEU . 7122 1 138 138 GLY . 7122 1 139 139 GLY . 7122 1 140 140 TYR . 7122 1 141 141 SER . 7122 1 142 142 TYR . 7122 1 143 143 GLY . 7122 1 144 144 LEU . 7122 1 145 145 ASP . 7122 1 146 146 LYS . 7122 1 147 147 LYS . 7122 1 148 148 LYS . 7122 1 149 149 PHE . 7122 1 150 150 ILE . 7122 1 151 151 LEU . 7122 1 152 152 GLU . 7122 1 153 153 ARG . 7122 1 154 154 GLU . 7122 1 155 155 ARG . 7122 1 156 156 LEU . 7122 1 157 157 ASN . 7122 1 158 158 MET . 7122 1 159 159 VAL . 7122 1 160 160 SER . 7122 1 161 161 PHE . 7122 1 162 162 LYS . 7122 1 163 163 PHE . 7122 1 164 164 ASN . 7122 1 165 165 LYS . 7122 1 166 166 VAL . 7122 1 167 167 TYR . 7122 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7122 1 . ILE 2 2 7122 1 . ILE 3 3 7122 1 . GLN 4 4 7122 1 . ILE 5 5 7122 1 . GLU 6 6 7122 1 . GLU 7 7 7122 1 . TYR 8 8 7122 1 . PHE 9 9 7122 1 . ILE 10 10 7122 1 . GLY 11 11 7122 1 . MET 12 12 7122 1 . ILE 13 13 7122 1 . PHE 14 14 7122 1 . LYS 15 15 7122 1 . GLY 16 16 7122 1 . ASN 17 17 7122 1 . GLN 18 18 7122 1 . LEU 19 19 7122 1 . VAL 20 20 7122 1 . ARG 21 21 7122 1 . ASN 22 22 7122 1 . THR 23 23 7122 1 . ILE 24 24 7122 1 . PRO 25 25 7122 1 . LEU 26 26 7122 1 . ARG 27 27 7122 1 . ARG 28 28 7122 1 . GLU 29 29 7122 1 . GLU 30 30 7122 1 . ILE 31 31 7122 1 . PHE 32 32 7122 1 . ASN 33 33 7122 1 . PHE 34 34 7122 1 . MET 35 35 7122 1 . ASP 36 36 7122 1 . GLY 37 37 7122 1 . GLU 38 38 7122 1 . VAL 39 39 7122 1 . VAL 40 40 7122 1 . SER 41 41 7122 1 . ASN 42 42 7122 1 . PRO 43 43 7122 1 . GLU 44 44 7122 1 . ASP 45 45 7122 1 . GLU 46 46 7122 1 . HIS 47 47 7122 1 . LEU 48 48 7122 1 . LYS 49 49 7122 1 . VAL 50 50 7122 1 . ALA 51 51 7122 1 . GLU 52 52 7122 1 . ILE 53 53 7122 1 . ILE 54 54 7122 1 . LEU 55 55 7122 1 . LYS 56 56 7122 1 . LEU 57 57 7122 1 . TYR 58 58 7122 1 . PHE 59 59 7122 1 . ALA 60 60 7122 1 . GLU 61 61 7122 1 . ILE 62 62 7122 1 . ASP 63 63 7122 1 . ASP 64 64 7122 1 . LYS 65 65 7122 1 . LYS 66 66 7122 1 . VAL 67 67 7122 1 . ARG 68 68 7122 1 . GLU 69 69 7122 1 . LEU 70 70 7122 1 . ILE 71 71 7122 1 . SER 72 72 7122 1 . TYR 73 73 7122 1 . LYS 74 74 7122 1 . LEU 75 75 7122 1 . GLU 76 76 7122 1 . VAL 77 77 7122 1 . PRO 78 78 7122 1 . GLU 79 79 7122 1 . PHE 80 80 7122 1 . THR 81 81 7122 1 . LYS 82 82 7122 1 . LYS 83 83 7122 1 . VAL 84 84 7122 1 . LEU 85 85 7122 1 . ASP 86 86 7122 1 . ILE 87 87 7122 1 . VAL 88 88 7122 1 . LYS 89 89 7122 1 . ASP 90 90 7122 1 . ILE 91 91 7122 1 . GLU 92 92 7122 1 . PHE 93 93 7122 1 . GLY 94 94 7122 1 . LYS 95 95 7122 1 . THR 96 96 7122 1 . LEU 97 97 7122 1 . THR 98 98 7122 1 . TYR 99 99 7122 1 . GLY 100 100 7122 1 . ASP 101 101 7122 1 . ILE 102 102 7122 1 . ALA 103 103 7122 1 . LYS 104 104 7122 1 . LYS 105 105 7122 1 . LEU 106 106 7122 1 . ASN 107 107 7122 1 . THR 108 108 7122 1 . SER 109 109 7122 1 . PRO 110 110 7122 1 . ARG 111 111 7122 1 . ALA 112 112 7122 1 . VAL 113 113 7122 1 . GLY 114 114 7122 1 . MET 115 115 7122 1 . ALA 116 116 7122 1 . LEU 117 117 7122 1 . LYS 118 118 7122 1 . ARG 119 119 7122 1 . ASN 120 120 7122 1 . PRO 121 121 7122 1 . LEU 122 122 7122 1 . PRO 123 123 7122 1 . LEU 124 124 7122 1 . ILE 125 125 7122 1 . ILE 126 126 7122 1 . PRO 127 127 7122 1 . CYS 128 128 7122 1 . HIS 129 129 7122 1 . ARG 130 130 7122 1 . VAL 131 131 7122 1 . VAL 132 132 7122 1 . ALA 133 133 7122 1 . LYS 134 134 7122 1 . ASN 135 135 7122 1 . SER 136 136 7122 1 . LEU 137 137 7122 1 . GLY 138 138 7122 1 . GLY 139 139 7122 1 . TYR 140 140 7122 1 . SER 141 141 7122 1 . TYR 142 142 7122 1 . GLY 143 143 7122 1 . LEU 144 144 7122 1 . ASP 145 145 7122 1 . LYS 146 146 7122 1 . LYS 147 147 7122 1 . LYS 148 148 7122 1 . PHE 149 149 7122 1 . ILE 150 150 7122 1 . LEU 151 151 7122 1 . GLU 152 152 7122 1 . ARG 153 153 7122 1 . GLU 154 154 7122 1 . ARG 155 155 7122 1 . LEU 156 156 7122 1 . ASN 157 157 7122 1 . MET 158 158 7122 1 . VAL 159 159 7122 1 . SER 160 160 7122 1 . PHE 161 161 7122 1 . LYS 162 162 7122 1 . PHE 163 163 7122 1 . ASN 164 164 7122 1 . LYS 165 165 7122 1 . VAL 166 166 7122 1 . TYR 167 167 7122 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 7122 _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 $Mj1529 . 2190 . . 'Methanococcus jannaschii' 'Methanocaldococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 7122 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 7122 _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 $Mj1529 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7122 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7122 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' [U-15N] . . 1 $Mj1529 . . 0.8 . . mM . . . . 7122 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 7122 1 3 NaCl . . . . . . . 500 . . mM . . . . 7122 1 4 H2O . . . . . . . 95 . . % . . . . 7122 1 5 D2O . . . . . . . 5 . . % . . . . 7122 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7122 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' '[U-13C; U-15N]' . . 1 $Mj1529 . . 0.8 . . mM . . . . 7122 2 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 7122 2 3 NaCl . . . . . . . 500 . . mM . . . . 7122 2 4 H2O . . . . . . . 95 . . % . . . . 7122 2 5 D2O . . . . . . . 5 . . % . . . . 7122 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7122 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' [U-15N] . . 1 $Mj1529 . . 0.8 . . mM . . . . 7122 3 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 7122 3 3 NaCl . . . . . . . 500 . . mM . . . . 7122 3 4 D2O . . . . . . . 100 . . % . . . . 7122 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 7122 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)' [U-13C] . . 1 $Mj1529 . . 0.8 . . mM . . . . 7122 4 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 7122 4 3 NaCl . . . . . . . 500 . . mM . . . . 7122 4 4 H2O . . . . . . . 94 . . % . . . . 7122 4 5 D2O . . . . . . . 5 . . % . . . . 7122 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7122 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 550 . mM 7122 1 pH 6.2 . pH 7122 1 pressure 1 . atm 7122 1 temperature 303 . K 7122 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7122 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7122 1 'structure solution' 7122 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7122 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1 _Software.Details Bax loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7122 2 stop_ save_ save_Nmrview _Software.Sf_category software _Software.Sf_framecode Nmrview _Software.Entry_ID 7122 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details Johnson loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7122 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7122 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7122 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 7122 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 7122 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7122 1 2 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7122 1 3 '4D 13C Separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7122 1 4 '4D 13C/15N Separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7122 1 5 'D20 Exchange' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7122 1 6 '3d 13C Separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7122 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7122 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7122 1 H 1 H2O protons . . . . ppm 4.73 internal direct 1.0 . . internal 1 $entry_citation . . 1 $entry_citation 7122 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7122 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7122 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7122 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 MET HA H 1 4.70 0.03 . 1 . . . . 1 . . . 7122 1 2 . 1 1 1 1 MET HB2 H 1 2.49 0.03 . 2 . . . . 1 . . . 7122 1 3 . 1 1 1 1 MET HB3 H 1 2.27 0.03 . 2 . . . . 1 . . . 7122 1 4 . 1 1 1 1 MET C C 13 172.5 0.1 . 1 . . . . 1 . . . 7122 1 5 . 1 1 1 1 MET CA C 13 55.0 0.1 . 1 . . . . 1 . . . 7122 1 6 . 1 1 1 1 MET CB C 13 33.6 0.1 . 1 . . . . 1 . . . 7122 1 7 . 1 1 2 2 ILE H H 1 8.32 0.03 . 1 . . . . 2 . . . 7122 1 8 . 1 1 2 2 ILE HA H 1 4.91 0.03 . 1 . . . . 2 . . . 7122 1 9 . 1 1 2 2 ILE HB H 1 1.71 0.03 . 1 . . . . 2 . . . 7122 1 10 . 1 1 2 2 ILE HG12 H 1 1.43 0.03 . 2 . . . . 2 . . . 7122 1 11 . 1 1 2 2 ILE HG13 H 1 0.71 0.03 . 2 . . . . 2 . . . 7122 1 12 . 1 1 2 2 ILE HG21 H 1 0.88 0.03 . 1 . . . . 2 . . . 7122 1 13 . 1 1 2 2 ILE HG22 H 1 0.88 0.03 . 1 . . . . 2 . . . 7122 1 14 . 1 1 2 2 ILE HG23 H 1 0.88 0.03 . 1 . . . . 2 . . . 7122 1 15 . 1 1 2 2 ILE HD11 H 1 0.90 0.03 . 1 . . . . 2 . . . 7122 1 16 . 1 1 2 2 ILE HD12 H 1 0.90 0.03 . 1 . . . . 2 . . . 7122 1 17 . 1 1 2 2 ILE HD13 H 1 0.90 0.03 . 1 . . . . 2 . . . 7122 1 18 . 1 1 2 2 ILE C C 13 182.3 0.1 . 1 . . . . 2 . . . 7122 1 19 . 1 1 2 2 ILE CA C 13 60.4 0.1 . 1 . . . . 2 . . . 7122 1 20 . 1 1 2 2 ILE CB C 13 40.1 0.1 . 1 . . . . 2 . . . 7122 1 21 . 1 1 2 2 ILE CG1 C 13 28.0 0.1 . 1 . . . . 2 . . . 7122 1 22 . 1 1 2 2 ILE CG2 C 13 19.8 0.1 . 1 . . . . 2 . . . 7122 1 23 . 1 1 2 2 ILE CD1 C 13 13.5 0.1 . 1 . . . . 2 . . . 7122 1 24 . 1 1 2 2 ILE N N 15 121.6 0.1 . 1 . . . . 2 . . . 7122 1 25 . 1 1 3 3 ILE H H 1 8.84 0.03 . 1 . . . . 3 . . . 7122 1 26 . 1 1 3 3 ILE HA H 1 4.61 0.03 . 1 . . . . 3 . . . 7122 1 27 . 1 1 3 3 ILE HB H 1 1.68 0.03 . 1 . . . . 3 . . . 7122 1 28 . 1 1 3 3 ILE HG12 H 1 1.23 0.03 . 2 . . . . 3 . . . 7122 1 29 . 1 1 3 3 ILE HG13 H 1 1.51 0.03 . 2 . . . . 3 . . . 7122 1 30 . 1 1 3 3 ILE HG21 H 1 0.82 0.03 . 1 . . . . 3 . . . 7122 1 31 . 1 1 3 3 ILE HG22 H 1 0.82 0.03 . 1 . . . . 3 . . . 7122 1 32 . 1 1 3 3 ILE HG23 H 1 0.82 0.03 . 1 . . . . 3 . . . 7122 1 33 . 1 1 3 3 ILE HD11 H 1 0.89 0.03 . 1 . . . . 3 . . . 7122 1 34 . 1 1 3 3 ILE HD12 H 1 0.89 0.03 . 1 . . . . 3 . . . 7122 1 35 . 1 1 3 3 ILE HD13 H 1 0.89 0.03 . 1 . . . . 3 . . . 7122 1 36 . 1 1 3 3 ILE C C 13 182.1 0.1 . 1 . . . . 3 . . . 7122 1 37 . 1 1 3 3 ILE CA C 13 60.4 0.1 . 1 . . . . 3 . . . 7122 1 38 . 1 1 3 3 ILE CB C 13 40.4 0.1 . 1 . . . . 3 . . . 7122 1 39 . 1 1 3 3 ILE CG1 C 13 28.7 0.1 . 1 . . . . 3 . . . 7122 1 40 . 1 1 3 3 ILE CG2 C 13 17.4 0.1 . 1 . . . . 3 . . . 7122 1 41 . 1 1 3 3 ILE CD1 C 13 12.9 0.1 . 1 . . . . 3 . . . 7122 1 42 . 1 1 3 3 ILE N N 15 126.8 0.1 . 1 . . . . 3 . . . 7122 1 43 . 1 1 4 4 GLN H H 1 8.84 0.03 . 1 . . . . 4 . . . 7122 1 44 . 1 1 4 4 GLN HA H 1 4.62 0.03 . 1 . . . . 4 . . . 7122 1 45 . 1 1 4 4 GLN HB2 H 1 1.70 0.03 . 2 . . . . 4 . . . 7122 1 46 . 1 1 4 4 GLN HB3 H 1 1.31 0.03 . 2 . . . . 4 . . . 7122 1 47 . 1 1 4 4 GLN C C 13 180.6 0.1 . 1 . . . . 4 . . . 7122 1 48 . 1 1 4 4 GLN CA C 13 53.7 0.1 . 1 . . . . 4 . . . 7122 1 49 . 1 1 4 4 GLN CB C 13 29.6 0.1 . 1 . . . . 4 . . . 7122 1 50 . 1 1 4 4 GLN N N 15 128.37 0.1 . 1 . . . . 4 . . . 7122 1 51 . 1 1 5 5 ILE H H 1 8.76 0.03 . 1 . . . . 5 . . . 7122 1 52 . 1 1 5 5 ILE HA H 1 4.06 0.03 . 1 . . . . 5 . . . 7122 1 53 . 1 1 5 5 ILE HB H 1 1.54 0.03 . 1 . . . . 5 . . . 7122 1 54 . 1 1 5 5 ILE HG12 H 1 1.33 0.03 . 2 . . . . 5 . . . 7122 1 55 . 1 1 5 5 ILE HG13 H 1 0.96 0.03 . 2 . . . . 5 . . . 7122 1 56 . 1 1 5 5 ILE HG21 H 1 0.87 0.03 . 1 . . . . 5 . . . 7122 1 57 . 1 1 5 5 ILE HG22 H 1 0.87 0.03 . 1 . . . . 5 . . . 7122 1 58 . 1 1 5 5 ILE HG23 H 1 0.87 0.03 . 1 . . . . 5 . . . 7122 1 59 . 1 1 5 5 ILE HD11 H 1 0.75 0.03 . 1 . . . . 5 . . . 7122 1 60 . 1 1 5 5 ILE HD12 H 1 0.75 0.03 . 1 . . . . 5 . . . 7122 1 61 . 1 1 5 5 ILE HD13 H 1 0.75 0.03 . 1 . . . . 5 . . . 7122 1 62 . 1 1 5 5 ILE C C 13 181.6 0.1 . 1 . . . . 5 . . . 7122 1 63 . 1 1 5 5 ILE CA C 13 60.5 0.1 . 1 . . . . 5 . . . 7122 1 64 . 1 1 5 5 ILE CB C 13 39.9 0.1 . 1 . . . . 5 . . . 7122 1 65 . 1 1 5 5 ILE CG1 C 13 27.3 0.1 . 1 . . . . 5 . . . 7122 1 66 . 1 1 5 5 ILE CG2 C 13 16.9 0.1 . 1 . . . . 5 . . . 7122 1 67 . 1 1 5 5 ILE CD1 C 13 13.4 0.1 . 1 . . . . 5 . . . 7122 1 68 . 1 1 5 5 ILE N N 15 127.2 0.1 . 1 . . . . 5 . . . 7122 1 69 . 1 1 6 6 GLU H H 1 8.89 0.03 . 1 . . . . 6 . . . 7122 1 70 . 1 1 6 6 GLU HA H 1 3.68 0.03 . 1 . . . . 6 . . . 7122 1 71 . 1 1 6 6 GLU HB2 H 1 2.35 0.03 . 2 . . . . 6 . . . 7122 1 72 . 1 1 6 6 GLU HB3 H 1 2.28 0.03 . 2 . . . . 6 . . . 7122 1 73 . 1 1 6 6 GLU HG2 H 1 2.41 0.03 . 2 . . . . 6 . . . 7122 1 74 . 1 1 6 6 GLU C C 13 180.1 0.1 . 1 . . . . 6 . . . 7122 1 75 . 1 1 6 6 GLU CA C 13 58.3 0.1 . 1 . . . . 6 . . . 7122 1 76 . 1 1 6 6 GLU CB C 13 26.5 0.1 . 1 . . . . 6 . . . 7122 1 77 . 1 1 6 6 GLU CG C 13 36.1 0.1 . 1 . . . . 6 . . . 7122 1 78 . 1 1 6 6 GLU N N 15 123.5 0.1 . 1 . . . . 6 . . . 7122 1 79 . 1 1 7 7 GLU H H 1 8.27 0.03 . 1 . . . . 7 . . . 7122 1 80 . 1 1 7 7 GLU HA H 1 4.37 0.03 . 1 . . . . 7 . . . 7122 1 81 . 1 1 7 7 GLU HB2 H 1 2.08 0.03 . 2 . . . . 7 . . . 7122 1 82 . 1 1 7 7 GLU HB3 H 1 1.77 0.03 . 2 . . . . 7 . . . 7122 1 83 . 1 1 7 7 GLU HG2 H 1 2.07 0.03 . 2 . . . . 7 . . . 7122 1 84 . 1 1 7 7 GLU HG3 H 1 1.91 0.03 . 2 . . . . 7 . . . 7122 1 85 . 1 1 7 7 GLU C C 13 180.8 0.1 . 1 . . . . 7 . . . 7122 1 86 . 1 1 7 7 GLU CA C 13 56.3 0.1 . 1 . . . . 7 . . . 7122 1 87 . 1 1 7 7 GLU CB C 13 28.9 0.1 . 1 . . . . 7 . . . 7122 1 88 . 1 1 7 7 GLU N N 15 120.0 0.1 . 1 . . . . 7 . . . 7122 1 89 . 1 1 8 8 TYR H H 1 8.39 0.03 . 1 . . . . 8 . . . 7122 1 90 . 1 1 8 8 TYR HA H 1 4.76 0.03 . 1 . . . . 8 . . . 7122 1 91 . 1 1 8 8 TYR HB2 H 1 2.87 0.03 . 2 . . . . 8 . . . 7122 1 92 . 1 1 8 8 TYR HB3 H 1 2.64 0.03 . 2 . . . . 8 . . . 7122 1 93 . 1 1 8 8 TYR HD1 H 1 6.88 0.03 . 3 . . . . 8 . . . 7122 1 94 . 1 1 8 8 TYR HE1 H 1 6.86 0.03 . 3 . . . . 8 . . . 7122 1 95 . 1 1 8 8 TYR C C 13 182.4 0.1 . 1 . . . . 8 . . . 7122 1 96 . 1 1 8 8 TYR CA C 13 58.0 0.1 . 1 . . . . 8 . . . 7122 1 97 . 1 1 8 8 TYR CB C 13 40.4 0.1 . 1 . . . . 8 . . . 7122 1 98 . 1 1 8 8 TYR CD1 C 13 133.7 0.1 . 3 . . . . 8 . . . 7122 1 99 . 1 1 8 8 TYR CE1 C 13 118.3 0.1 . 3 . . . . 8 . . . 7122 1 100 . 1 1 8 8 TYR N N 15 118.7 0.1 . 1 . . . . 8 . . . 7122 1 101 . 1 1 9 9 PHE H H 1 9.68 0.03 . 1 . . . . 9 . . . 7122 1 102 . 1 1 9 9 PHE HA H 1 4.93 0.03 . 1 . . . . 9 . . . 7122 1 103 . 1 1 9 9 PHE HB2 H 1 2.37 0.03 . 2 . . . . 9 . . . 7122 1 104 . 1 1 9 9 PHE HB3 H 1 2.66 0.03 . 2 . . . . 9 . . . 7122 1 105 . 1 1 9 9 PHE HD1 H 1 7.12 0.03 . 3 . . . . 9 . . . 7122 1 106 . 1 1 9 9 PHE HE1 H 1 6.62 0.03 . 3 . . . . 9 . . . 7122 1 107 . 1 1 9 9 PHE C C 13 180.90 0.1 . 1 . . . . 9 . . . 7122 1 108 . 1 1 9 9 PHE CA C 13 56.72 0.1 . 1 . . . . 9 . . . 7122 1 109 . 1 1 9 9 PHE CB C 13 40.50 0.1 . 1 . . . . 9 . . . 7122 1 110 . 1 1 9 9 PHE CD1 C 13 131.24 0.1 . 3 . . . . 9 . . . 7122 1 111 . 1 1 9 9 PHE CE1 C 13 131.89 0.1 . 3 . . . . 9 . . . 7122 1 112 . 1 1 9 9 PHE N N 15 118.50 0.1 . 1 . . . . 9 . . . 7122 1 113 . 1 1 10 10 ILE H H 1 9.13 0.03 . 1 . . . . 10 . . . 7122 1 114 . 1 1 10 10 ILE HA H 1 3.94 0.03 . 1 . . . . 10 . . . 7122 1 115 . 1 1 10 10 ILE HB H 1 1.57 0.03 . 1 . . . . 10 . . . 7122 1 116 . 1 1 10 10 ILE HG12 H 1 1.24 0.03 . 2 . . . . 10 . . . 7122 1 117 . 1 1 10 10 ILE HG13 H 1 0.64 0.03 . 2 . . . . 10 . . . 7122 1 118 . 1 1 10 10 ILE HG21 H 1 0.77 0.03 . 1 . . . . 10 . . . 7122 1 119 . 1 1 10 10 ILE HG22 H 1 0.77 0.03 . 1 . . . . 10 . . . 7122 1 120 . 1 1 10 10 ILE HG23 H 1 0.77 0.03 . 1 . . . . 10 . . . 7122 1 121 . 1 1 10 10 ILE HD11 H 1 0.77 0.03 . 1 . . . . 10 . . . 7122 1 122 . 1 1 10 10 ILE HD12 H 1 0.77 0.03 . 1 . . . . 10 . . . 7122 1 123 . 1 1 10 10 ILE HD13 H 1 0.77 0.03 . 1 . . . . 10 . . . 7122 1 124 . 1 1 10 10 ILE C C 13 180.7 0.1 . 1 . . . . 10 . . . 7122 1 125 . 1 1 10 10 ILE CA C 13 60.7 0.1 . 1 . . . . 10 . . . 7122 1 126 . 1 1 10 10 ILE CB C 13 42.0 0.1 . 1 . . . . 10 . . . 7122 1 127 . 1 1 10 10 ILE CG1 C 13 29.1 0.1 . 2 . . . . 10 . . . 7122 1 128 . 1 1 10 10 ILE CG2 C 13 18.7 0.1 . 2 . . . . 10 . . . 7122 1 129 . 1 1 10 10 ILE CD1 C 13 15.7 0.1 . 1 . . . . 10 . . . 7122 1 130 . 1 1 10 10 ILE N N 15 121.9 0.1 . 1 . . . . 10 . . . 7122 1 131 . 1 1 11 11 GLY H H 1 8.62 0.03 . 1 . . . . 11 . . . 7122 1 132 . 1 1 11 11 GLY HA2 H 1 5.09 0.03 . 2 . . . . 11 . . . 7122 1 133 . 1 1 11 11 GLY HA3 H 1 3.66 0.03 . 2 . . . . 11 . . . 7122 1 134 . 1 1 11 11 GLY C C 13 182.5 0.1 . 1 . . . . 11 . . . 7122 1 135 . 1 1 11 11 GLY CA C 13 44.2 0.1 . 1 . . . . 11 . . . 7122 1 136 . 1 1 11 11 GLY N N 15 114.89 0.1 . 1 . . . . 11 . . . 7122 1 137 . 1 1 12 12 MET H H 1 8.96 0.03 . 1 . . . . 12 . . . 7122 1 138 . 1 1 12 12 MET HA H 1 5.22 0.03 . 1 . . . . 12 . . . 7122 1 139 . 1 1 12 12 MET HB2 H 1 1.75 0.03 . 2 . . . . 12 . . . 7122 1 140 . 1 1 12 12 MET HG2 H 1 2.23 0.03 . 2 . . . . 12 . . . 7122 1 141 . 1 1 12 12 MET HG3 H 1 2.31 0.03 . 2 . . . . 12 . . . 7122 1 142 . 1 1 12 12 MET C C 13 182.0 0.1 . 1 . . . . 12 . . . 7122 1 143 . 1 1 12 12 MET CA C 13 55.4 0.1 . 1 . . . . 12 . . . 7122 1 144 . 1 1 12 12 MET CB C 13 38.4 0.1 . 1 . . . . 12 . . . 7122 1 145 . 1 1 12 12 MET CG C 13 31.9 0.1 . 1 . . . . 12 . . . 7122 1 146 . 1 1 12 12 MET N N 15 120.4 0.1 . 1 . . . . 12 . . . 7122 1 147 . 1 1 13 13 ILE H H 1 8.82 0.03 . 1 . . . . 13 . . . 7122 1 148 . 1 1 13 13 ILE HA H 1 4.47 0.03 . 1 . . . . 13 . . . 7122 1 149 . 1 1 13 13 ILE HB H 1 1.70 0.03 . 1 . . . . 13 . . . 7122 1 150 . 1 1 13 13 ILE HG12 H 1 1.43 0.03 . 2 . . . . 13 . . . 7122 1 151 . 1 1 13 13 ILE HG13 H 1 1.16 0.03 . 2 . . . . 13 . . . 7122 1 152 . 1 1 13 13 ILE HG21 H 1 0.90 0.03 . 1 . . . . 13 . . . 7122 1 153 . 1 1 13 13 ILE HG22 H 1 0.90 0.03 . 1 . . . . 13 . . . 7122 1 154 . 1 1 13 13 ILE HG23 H 1 0.90 0.03 . 1 . . . . 13 . . . 7122 1 155 . 1 1 13 13 ILE HD11 H 1 0.90 0.03 . 1 . . . . 13 . . . 7122 1 156 . 1 1 13 13 ILE HD12 H 1 0.90 0.03 . 1 . . . . 13 . . . 7122 1 157 . 1 1 13 13 ILE HD13 H 1 0.90 0.03 . 1 . . . . 13 . . . 7122 1 158 . 1 1 13 13 ILE C C 13 181.6 0.1 . 1 . . . . 13 . . . 7122 1 159 . 1 1 13 13 ILE CA C 13 59.7 0.1 . 1 . . . . 13 . . . 7122 1 160 . 1 1 13 13 ILE CB C 13 39.6 0.1 . 1 . . . . 13 . . . 7122 1 161 . 1 1 13 13 ILE CG1 C 13 26.6 0.1 . 1 . . . . 13 . . . 7122 1 162 . 1 1 13 13 ILE CG2 C 13 16.9 0.1 . 1 . . . . 13 . . . 7122 1 163 . 1 1 13 13 ILE CD1 C 13 11.4 0.1 . 1 . . . . 13 . . . 7122 1 164 . 1 1 13 13 ILE N N 15 121.6 0.1 . 1 . . . . 13 . . . 7122 1 165 . 1 1 14 14 PHE H H 1 8.91 0.03 . 1 . . . . 14 . . . 7122 1 166 . 1 1 14 14 PHE HA H 1 5.30 0.03 . 1 . . . . 14 . . . 7122 1 167 . 1 1 14 14 PHE HB2 H 1 2.95 0.03 . 2 . . . . 14 . . . 7122 1 168 . 1 1 14 14 PHE HB3 H 1 2.77 0.03 . 2 . . . . 14 . . . 7122 1 169 . 1 1 14 14 PHE HD1 H 1 6.88 0.03 . 3 . . . . 14 . . . 7122 1 170 . 1 1 14 14 PHE HE1 H 1 7.30 0.03 . 3 . . . . 14 . . . 7122 1 171 . 1 1 14 14 PHE C C 13 179.51 0.1 . 1 . . . . 14 . . . 7122 1 172 . 1 1 14 14 PHE CA C 13 56.49 0.1 . 1 . . . . 14 . . . 7122 1 173 . 1 1 14 14 PHE CB C 13 42.54 0.1 . 1 . . . . 14 . . . 7122 1 174 . 1 1 14 14 PHE CD1 C 13 133.40 0.1 . 3 . . . . 14 . . . 7122 1 175 . 1 1 14 14 PHE CE1 C 13 131.36 0.1 . 3 . . . . 14 . . . 7122 1 176 . 1 1 14 14 PHE N N 15 126.22 0.1 . 1 . . . . 14 . . . 7122 1 177 . 1 1 15 15 LYS H H 1 9.20 0.03 . 1 . . . . 15 . . . 7122 1 178 . 1 1 15 15 LYS HA H 1 4.62 0.03 . 1 . . . . 15 . . . 7122 1 179 . 1 1 15 15 LYS HB2 H 1 1.82 0.03 . 2 . . . . 15 . . . 7122 1 180 . 1 1 15 15 LYS HB3 H 1 1.64 0.03 . 2 . . . . 15 . . . 7122 1 181 . 1 1 15 15 LYS HG2 H 1 1.41 0.03 . 2 . . . . 15 . . . 7122 1 182 . 1 1 15 15 LYS HD2 H 1 1.73 0.03 . 2 . . . . 15 . . . 7122 1 183 . 1 1 15 15 LYS HE2 H 1 2.99 0.03 . 2 . . . . 15 . . . 7122 1 184 . 1 1 15 15 LYS C C 13 178.4 0.1 . 1 . . . . 15 . . . 7122 1 185 . 1 1 15 15 LYS CA C 13 55.9 0.1 . 1 . . . . 15 . . . 7122 1 186 . 1 1 15 15 LYS CB C 13 33.7 0.1 . 1 . . . . 15 . . . 7122 1 187 . 1 1 15 15 LYS CG C 13 25.0 0.1 . 1 . . . . 15 . . . 7122 1 188 . 1 1 15 15 LYS CD C 13 29.5 0.1 . 1 . . . . 15 . . . 7122 1 189 . 1 1 15 15 LYS CE C 13 41.9 0.1 . 1 . . . . 15 . . . 7122 1 190 . 1 1 15 15 LYS N N 15 122.7 0.1 . 1 . . . . 15 . . . 7122 1 191 . 1 1 16 16 GLY H H 1 9.14 0.03 . 1 . . . . 16 . . . 7122 1 192 . 1 1 16 16 GLY HA2 H 1 4.06 0.03 . 2 . . . . 16 . . . 7122 1 193 . 1 1 16 16 GLY HA3 H 1 3.77 0.03 . 2 . . . . 16 . . . 7122 1 194 . 1 1 16 16 GLY C C 13 180.9 0.1 . 1 . . . . 16 . . . 7122 1 195 . 1 1 16 16 GLY CA C 13 47.2 0.1 . 1 . . . . 16 . . . 7122 1 196 . 1 1 16 16 GLY N N 15 118.0 0.1 . 1 . . . . 16 . . . 7122 1 197 . 1 1 17 17 ASN H H 1 8.91 0.03 . 1 . . . . 17 . . . 7122 1 198 . 1 1 17 17 ASN HA H 1 4.75 0.03 . 1 . . . . 17 . . . 7122 1 199 . 1 1 17 17 ASN HB2 H 1 2.96 0.03 . 2 . . . . 17 . . . 7122 1 200 . 1 1 17 17 ASN C C 13 181.1 0.1 . 1 . . . . 17 . . . 7122 1 201 . 1 1 17 17 ASN CA C 13 53.4 0.1 . 1 . . . . 17 . . . 7122 1 202 . 1 1 17 17 ASN CB C 13 38.2 0.1 . 1 . . . . 17 . . . 7122 1 203 . 1 1 17 17 ASN N N 15 122.3 0.1 . 1 . . . . 17 . . . 7122 1 204 . 1 1 18 18 GLN H H 1 7.97 0.03 . 1 . . . . 18 . . . 7122 1 205 . 1 1 18 18 GLN HA H 1 4.47 0.03 . 1 . . . . 18 . . . 7122 1 206 . 1 1 18 18 GLN HB2 H 1 2.18 0.03 . 2 . . . . 18 . . . 7122 1 207 . 1 1 18 18 GLN HB3 H 1 1.60 0.03 . 2 . . . . 18 . . . 7122 1 208 . 1 1 18 18 GLN HG2 H 1 2.32 0.03 . 2 . . . . 18 . . . 7122 1 209 . 1 1 18 18 GLN C C 13 181.3 0.1 . 1 . . . . 18 . . . 7122 1 210 . 1 1 18 18 GLN CA C 13 54.7 0.1 . 1 . . . . 18 . . . 7122 1 211 . 1 1 18 18 GLN CB C 13 30.9 0.1 . 1 . . . . 18 . . . 7122 1 212 . 1 1 18 18 GLN CG C 13 34.1 0.1 . 1 . . . . 18 . . . 7122 1 213 . 1 1 18 18 GLN N N 15 117.00 0.1 . 1 . . . . 18 . . . 7122 1 214 . 1 1 19 19 LEU H H 1 8.74 0.03 . 1 . . . . 19 . . . 7122 1 215 . 1 1 19 19 LEU HA H 1 3.84 0.03 . 1 . . . . 19 . . . 7122 1 216 . 1 1 19 19 LEU HB2 H 1 1.79 0.03 . 2 . . . . 19 . . . 7122 1 217 . 1 1 19 19 LEU HB3 H 1 1.43 0.03 . 2 . . . . 19 . . . 7122 1 218 . 1 1 19 19 LEU HG H 1 1.20 0.03 . 1 . . . . 19 . . . 7122 1 219 . 1 1 19 19 LEU HD11 H 1 0.34 0.03 . 1 . . . . 19 . . . 7122 1 220 . 1 1 19 19 LEU HD12 H 1 0.34 0.03 . 1 . . . . 19 . . . 7122 1 221 . 1 1 19 19 LEU HD13 H 1 0.34 0.03 . 1 . . . . 19 . . . 7122 1 222 . 1 1 19 19 LEU HD21 H 1 0.60 0.03 . 1 . . . . 19 . . . 7122 1 223 . 1 1 19 19 LEU HD22 H 1 0.60 0.03 . 1 . . . . 19 . . . 7122 1 224 . 1 1 19 19 LEU HD23 H 1 0.60 0.03 . 1 . . . . 19 . . . 7122 1 225 . 1 1 19 19 LEU C C 13 179.5 0.1 . 1 . . . . 19 . . . 7122 1 226 . 1 1 19 19 LEU CA C 13 56.2 0.1 . 1 . . . . 19 . . . 7122 1 227 . 1 1 19 19 LEU CB C 13 42.9 0.1 . 1 . . . . 19 . . . 7122 1 228 . 1 1 19 19 LEU CG C 13 26.2 0.1 . 1 . . . . 19 . . . 7122 1 229 . 1 1 19 19 LEU CD1 C 13 27.2 0.1 . 1 . . . . 19 . . . 7122 1 230 . 1 1 19 19 LEU CD2 C 13 22.5 0.1 . 1 . . . . 19 . . . 7122 1 231 . 1 1 19 19 LEU N N 15 128.3 0.1 . 1 . . . . 19 . . . 7122 1 232 . 1 1 20 20 VAL H H 1 8.58 0.03 . 1 . . . . 20 . . . 7122 1 233 . 1 1 20 20 VAL HA H 1 5.15 0.03 . 1 . . . . 20 . . . 7122 1 234 . 1 1 20 20 VAL HB H 1 2.42 0.03 . 1 . . . . 20 . . . 7122 1 235 . 1 1 20 20 VAL HG11 H 1 0.70 0.03 . 1 . . . . 20 . . . 7122 1 236 . 1 1 20 20 VAL HG12 H 1 0.70 0.03 . 1 . . . . 20 . . . 7122 1 237 . 1 1 20 20 VAL HG13 H 1 0.70 0.03 . 1 . . . . 20 . . . 7122 1 238 . 1 1 20 20 VAL HG21 H 1 0.98 0.03 . 1 . . . . 20 . . . 7122 1 239 . 1 1 20 20 VAL HG22 H 1 0.98 0.03 . 1 . . . . 20 . . . 7122 1 240 . 1 1 20 20 VAL HG23 H 1 0.98 0.03 . 1 . . . . 20 . . . 7122 1 241 . 1 1 20 20 VAL CA C 13 60.5 0.1 . 1 . . . . 20 . . . 7122 1 242 . 1 1 20 20 VAL CB C 13 33.7 0.1 . 1 . . . . 20 . . . 7122 1 243 . 1 1 20 20 VAL CG1 C 13 18.8 0.1 . 1 . . . . 20 . . . 7122 1 244 . 1 1 20 20 VAL CG2 C 13 21.4 0.1 . 1 . . . . 20 . . . 7122 1 245 . 1 1 20 20 VAL N N 15 116.1 0.1 . 1 . . . . 20 . . . 7122 1 246 . 1 1 21 21 ARG H H 1 7.45 0.03 . 1 . . . . 21 . . . 7122 1 247 . 1 1 21 21 ARG HA H 1 4.89 0.03 . 1 . . . . 21 . . . 7122 1 248 . 1 1 21 21 ARG HB2 H 1 2.04 0.03 . 2 . . . . 21 . . . 7122 1 249 . 1 1 21 21 ARG HB3 H 1 1.41 0.03 . 2 . . . . 21 . . . 7122 1 250 . 1 1 21 21 ARG HG2 H 1 1.94 0.03 . 2 . . . . 21 . . . 7122 1 251 . 1 1 21 21 ARG HG3 H 1 1.44 0.03 . 2 . . . . 21 . . . 7122 1 252 . 1 1 21 21 ARG HD2 H 1 3.26 0.03 . 2 . . . . 21 . . . 7122 1 253 . 1 1 21 21 ARG C C 13 182.3 0.1 . 1 . . . . 21 . . . 7122 1 254 . 1 1 21 21 ARG CA C 13 56.1 0.1 . 1 . . . . 21 . . . 7122 1 255 . 1 1 21 21 ARG CB C 13 33.5 0.1 . 1 . . . . 21 . . . 7122 1 256 . 1 1 21 21 ARG CG C 13 28.0 0.1 . 1 . . . . 21 . . . 7122 1 257 . 1 1 21 21 ARG CD C 13 43.4 0.1 . 1 . . . . 21 . . . 7122 1 258 . 1 1 21 21 ARG N N 15 122.2 0.1 . 1 . . . . 21 . . . 7122 1 259 . 1 1 22 22 ASN H H 1 9.21 0.03 . 1 . . . . 22 . . . 7122 1 260 . 1 1 22 22 ASN HA H 1 5.59 0.03 . 1 . . . . 22 . . . 7122 1 261 . 1 1 22 22 ASN HB2 H 1 2.80 0.03 . 2 . . . . 22 . . . 7122 1 262 . 1 1 22 22 ASN HB3 H 1 2.31 0.03 . 2 . . . . 22 . . . 7122 1 263 . 1 1 22 22 ASN C C 13 181.8 0.1 . 1 . . . . 22 . . . 7122 1 264 . 1 1 22 22 ASN CA C 13 53.2 0.1 . 1 . . . . 22 . . . 7122 1 265 . 1 1 22 22 ASN CB C 13 42.9 0.1 . 1 . . . . 22 . . . 7122 1 266 . 1 1 22 22 ASN N N 15 120.4 0.1 . 1 . . . . 22 . . . 7122 1 267 . 1 1 23 23 THR H H 1 8.28 0.03 . 1 . . . . 23 . . . 7122 1 268 . 1 1 23 23 THR HA H 1 4.82 0.03 . 1 . . . . 23 . . . 7122 1 269 . 1 1 23 23 THR HB H 1 4.22 0.03 . 1 . . . . 23 . . . 7122 1 270 . 1 1 23 23 THR HG21 H 1 1.21 . . 1 . . . . 23 . . . 7122 1 271 . 1 1 23 23 THR HG22 H 1 1.21 . . 1 . . . . 23 . . . 7122 1 272 . 1 1 23 23 THR HG23 H 1 1.21 . . 1 . . . . 23 . . . 7122 1 273 . 1 1 23 23 THR CA C 13 60.1 0.1 . 1 . . . . 23 . . . 7122 1 274 . 1 1 23 23 THR CB C 13 71.2 0.1 . 1 . . . . 23 . . . 7122 1 275 . 1 1 23 23 THR CG2 C 13 20.2 0.1 . 1 . . . . 23 . . . 7122 1 276 . 1 1 23 23 THR N N 15 106.7 0.1 . 1 . . . . 23 . . . 7122 1 277 . 1 1 25 25 PRO HA H 1 4.3 0.03 . 1 . . . . 25 . . . 7122 1 278 . 1 1 25 25 PRO HB2 H 1 1.40 0.03 . 2 . . . . 25 . . . 7122 1 279 . 1 1 25 25 PRO HB3 H 1 0.81 0.03 . 2 . . . . 25 . . . 7122 1 280 . 1 1 25 25 PRO C C 13 180.7 0.1 . 1 . . . . 25 . . . 7122 1 281 . 1 1 25 25 PRO CA C 13 62.9 0.1 . 1 . . . . 25 . . . 7122 1 282 . 1 1 25 25 PRO CB C 13 30.1 0.1 . 1 . . . . 25 . . . 7122 1 283 . 1 1 26 26 LEU H H 1 9.05 0.03 . 1 . . . . 26 . . . 7122 1 284 . 1 1 26 26 LEU HA H 1 4.76 0.03 . 1 . . . . 26 . . . 7122 1 285 . 1 1 26 26 LEU HB2 H 1 1.62 0.03 . 2 . . . . 26 . . . 7122 1 286 . 1 1 26 26 LEU HG H 1 0.8 0.03 . 1 . . . . 26 . . . 7122 1 287 . 1 1 26 26 LEU C C 13 179.4 0.1 . 1 . . . . 26 . . . 7122 1 288 . 1 1 26 26 LEU CA C 13 53.2 0.1 . 1 . . . . 26 . . . 7122 1 289 . 1 1 26 26 LEU CB C 13 47.1 0.1 . 1 . . . . 26 . . . 7122 1 290 . 1 1 26 26 LEU CG C 13 26.5 0.1 . 1 . . . . 26 . . . 7122 1 291 . 1 1 27 27 ARG H H 1 9.18 0.03 . 1 . . . . 27 . . . 7122 1 292 . 1 1 27 27 ARG HA H 1 4.79 0.03 . 1 . . . . 27 . . . 7122 1 293 . 1 1 27 27 ARG HB2 H 1 2.35 0.03 . 2 . . . . 27 . . . 7122 1 294 . 1 1 27 27 ARG HB3 H 1 1.74 0.03 . 2 . . . . 27 . . . 7122 1 295 . 1 1 27 27 ARG HD2 H 1 3.14 0.03 . 2 . . . . 27 . . . 7122 1 296 . 1 1 27 27 ARG C C 13 177.5 0.1 . 1 . . . . 27 . . . 7122 1 297 . 1 1 27 27 ARG CA C 13 55.4 0.1 . 1 . . . . 27 . . . 7122 1 298 . 1 1 27 27 ARG CB C 13 30.8 0.1 . 1 . . . . 27 . . . 7122 1 299 . 1 1 27 27 ARG N N 15 118.3 0.1 . 1 . . . . 27 . . . 7122 1 300 . 1 1 28 28 ARG H H 1 9.37 0.03 . 1 . . . . 28 . . . 7122 1 301 . 1 1 28 28 ARG HA H 1 2.92 0.03 . 1 . . . . 28 . . . 7122 1 302 . 1 1 28 28 ARG HB2 H 1 1.80 0.03 . 2 . . . . 28 . . . 7122 1 303 . 1 1 28 28 ARG HB3 H 1 1.64 0.03 . 2 . . . . 28 . . . 7122 1 304 . 1 1 28 28 ARG HG2 H 1 1.05 0.03 . 2 . . . . 28 . . . 7122 1 305 . 1 1 28 28 ARG HG3 H 1 1.47 0.03 . 2 . . . . 28 . . . 7122 1 306 . 1 1 28 28 ARG HD2 H 1 3.08 0.03 . 2 . . . . 28 . . . 7122 1 307 . 1 1 28 28 ARG C C 13 178.4 0.1 . 1 . . . . 28 . . . 7122 1 308 . 1 1 28 28 ARG CA C 13 59.0 0.1 . 1 . . . . 28 . . . 7122 1 309 . 1 1 28 28 ARG CB C 13 29.7 0.1 . 1 . . . . 28 . . . 7122 1 310 . 1 1 28 28 ARG CG C 13 26.5 0.1 . 1 . . . . 28 . . . 7122 1 311 . 1 1 28 28 ARG CD C 13 42.4 0.1 . 1 . . . . 28 . . . 7122 1 312 . 1 1 28 28 ARG N N 15 124.0 0.1 . 1 . . . . 28 . . . 7122 1 313 . 1 1 29 29 GLU H H 1 9.14 0.03 . 1 . . . . 29 . . . 7122 1 314 . 1 1 29 29 GLU HA H 1 4.20 0.03 . 1 . . . . 29 . . . 7122 1 315 . 1 1 29 29 GLU HB2 H 1 2.09 0.03 . 2 . . . . 29 . . . 7122 1 316 . 1 1 29 29 GLU HG2 H 1 2.33 0.03 . 2 . . . . 29 . . . 7122 1 317 . 1 1 29 29 GLU C C 13 179.32 0.1 . 1 . . . . 29 . . . 7122 1 318 . 1 1 29 29 GLU CA C 13 58.15 0.1 . 1 . . . . 29 . . . 7122 1 319 . 1 1 29 29 GLU CB C 13 28.35 0.1 . 1 . . . . 29 . . . 7122 1 320 . 1 1 29 29 GLU CG C 13 36.11 0.1 . 1 . . . . 29 . . . 7122 1 321 . 1 1 29 29 GLU N N 15 113.6 0.1 . 1 . . . . 29 . . . 7122 1 322 . 1 1 30 30 GLU H H 1 7.73 0.03 . 1 . . . . 30 . . . 7122 1 323 . 1 1 30 30 GLU HA H 1 4.64 0.03 . 1 . . . . 30 . . . 7122 1 324 . 1 1 30 30 GLU HB2 H 1 2.44 0.03 . 2 . . . . 30 . . . 7122 1 325 . 1 1 30 30 GLU HB3 H 1 2.28 0.03 . 2 . . . . 30 . . . 7122 1 326 . 1 1 30 30 GLU C C 13 176.9 . . 1 . . . . 30 . . . 7122 1 327 . 1 1 30 30 GLU CA C 13 56.9 . . 1 . . . . 30 . . . 7122 1 328 . 1 1 30 30 GLU CB C 13 33.7 . . 1 . . . . 30 . . . 7122 1 329 . 1 1 30 30 GLU N N 15 116.4 0.1 . 1 . . . . 30 . . . 7122 1 330 . 1 1 31 31 ILE H H 1 7.60 0.03 . 1 . . . . 31 . . . 7122 1 331 . 1 1 31 31 ILE HA H 1 4.26 0.03 . 1 . . . . 31 . . . 7122 1 332 . 1 1 31 31 ILE HB H 1 1.50 0.03 . 1 . . . . 31 . . . 7122 1 333 . 1 1 31 31 ILE HG12 H 1 0.97 0.03 . 2 . . . . 31 . . . 7122 1 334 . 1 1 31 31 ILE HG21 H 1 -0.07 0.03 . 1 . . . . 31 . . . 7122 1 335 . 1 1 31 31 ILE HG22 H 1 -0.07 0.03 . 1 . . . . 31 . . . 7122 1 336 . 1 1 31 31 ILE HG23 H 1 -0.07 0.03 . 1 . . . . 31 . . . 7122 1 337 . 1 1 31 31 ILE HD11 H 1 0.90 0.03 . 1 . . . . 31 . . . 7122 1 338 . 1 1 31 31 ILE HD12 H 1 0.90 0.03 . 1 . . . . 31 . . . 7122 1 339 . 1 1 31 31 ILE HD13 H 1 0.90 0.03 . 1 . . . . 31 . . . 7122 1 340 . 1 1 31 31 ILE C C 13 180.3 0.1 . 1 . . . . 31 . . . 7122 1 341 . 1 1 31 31 ILE CA C 13 62.6 0.1 . 1 . . . . 31 . . . 7122 1 342 . 1 1 31 31 ILE CB C 13 37.3 0.1 . 1 . . . . 31 . . . 7122 1 343 . 1 1 31 31 ILE CG1 C 13 30.0 0.1 . 1 . . . . 31 . . . 7122 1 344 . 1 1 31 31 ILE CG2 C 13 16.5 0.1 . 1 . . . . 31 . . . 7122 1 345 . 1 1 31 31 ILE CD1 C 13 14.5 0.1 . 1 . . . . 31 . . . 7122 1 346 . 1 1 31 31 ILE N N 15 116.7 0.1 . 1 . . . . 31 . . . 7122 1 347 . 1 1 32 32 PHE H H 1 7.75 0.03 . 1 . . . . 32 . . . 7122 1 348 . 1 1 32 32 PHE HA H 1 5.06 0.03 . 1 . . . . 32 . . . 7122 1 349 . 1 1 32 32 PHE HB2 H 1 3.39 0.03 . 2 . . . . 32 . . . 7122 1 350 . 1 1 32 32 PHE HB3 H 1 2.85 0.03 . 2 . . . . 32 . . . 7122 1 351 . 1 1 32 32 PHE HD1 H 1 7.47 0.03 . 3 . . . . 32 . . . 7122 1 352 . 1 1 32 32 PHE HE1 H 1 7.20 0.03 . 3 . . . . 32 . . . 7122 1 353 . 1 1 32 32 PHE C C 13 179.0 0.1 . 1 . . . . 32 . . . 7122 1 354 . 1 1 32 32 PHE CA C 13 59.0 0.1 . 1 . . . . 32 . . . 7122 1 355 . 1 1 32 32 PHE CB C 13 37.0 0.1 . 1 . . . . 32 . . . 7122 1 356 . 1 1 32 32 PHE CD1 C 13 132.0 0.1 . 3 . . . . 32 . . . 7122 1 357 . 1 1 32 32 PHE CE1 C 13 131.4 0.1 . 3 . . . . 32 . . . 7122 1 358 . 1 1 32 32 PHE N N 15 119.2 0.1 . 1 . . . . 32 . . . 7122 1 359 . 1 1 33 33 ASN H H 1 7.81 0.03 . 1 . . . . 33 . . . 7122 1 360 . 1 1 33 33 ASN HA H 1 4.49 0.03 . 1 . . . . 33 . . . 7122 1 361 . 1 1 33 33 ASN HB2 H 1 2.72 0.03 . 2 . . . . 33 . . . 7122 1 362 . 1 1 33 33 ASN HB3 H 1 2.39 0.03 . 2 . . . . 33 . . . 7122 1 363 . 1 1 33 33 ASN C C 13 180.4 0.1 . 1 . . . . 33 . . . 7122 1 364 . 1 1 33 33 ASN CA C 13 54.3 0.1 . 1 . . . . 33 . . . 7122 1 365 . 1 1 33 33 ASN CB C 13 37.9 0.1 . 1 . . . . 33 . . . 7122 1 366 . 1 1 33 33 ASN N N 15 115.8 0.1 . 1 . . . . 33 . . . 7122 1 367 . 1 1 34 34 PHE H H 1 7.94 0.03 . 1 . . . . 34 . . . 7122 1 368 . 1 1 34 34 PHE HA H 1 4.56 0.03 . 1 . . . . 34 . . . 7122 1 369 . 1 1 34 34 PHE HB2 H 1 3.37 0.03 . 2 . . . . 34 . . . 7122 1 370 . 1 1 34 34 PHE HB3 H 1 2.79 0.03 . 2 . . . . 34 . . . 7122 1 371 . 1 1 34 34 PHE HD1 H 1 7.37 0.03 . 3 . . . . 34 . . . 7122 1 372 . 1 1 34 34 PHE CA C 13 59.4 0.1 . 1 . . . . 34 . . . 7122 1 373 . 1 1 34 34 PHE CB C 13 41.9 0.1 . 1 . . . . 34 . . . 7122 1 374 . 1 1 34 34 PHE CD1 C 13 133.4 0.1 . 3 . . . . 34 . . . 7122 1 375 . 1 1 34 34 PHE N N 15 116.0 0.1 . 1 . . . . 34 . . . 7122 1 376 . 1 1 35 35 MET H H 1 8.15 0.03 . 1 . . . . 35 . . . 7122 1 377 . 1 1 35 35 MET HA H 1 4.52 0.03 . 1 . . . . 35 . . . 7122 1 378 . 1 1 35 35 MET HB2 H 1 1.78 0.03 . 2 . . . . 35 . . . 7122 1 379 . 1 1 35 35 MET HG2 H 1 2.48 0.03 . 2 . . . . 35 . . . 7122 1 380 . 1 1 35 35 MET HG3 H 1 2.70 0.03 . 2 . . . . 35 . . . 7122 1 381 . 1 1 35 35 MET C C 13 171.2 0.1 . 1 . . . . 35 . . . 7122 1 382 . 1 1 35 35 MET CA C 13 55.4 0.1 . 1 . . . . 35 . . . 7122 1 383 . 1 1 35 35 MET CB C 13 35.8 0.1 . 1 . . . . 35 . . . 7122 1 384 . 1 1 35 35 MET CG C 13 31.8 0.1 . 1 . . . . 35 . . . 7122 1 385 . 1 1 35 35 MET N N 15 119.9 0.1 . 1 . . . . 35 . . . 7122 1 386 . 1 1 36 36 ASP H H 1 8.05 0.03 . 1 . . . . 36 . . . 7122 1 387 . 1 1 36 36 ASP HA H 1 5.03 0.03 . 1 . . . . 36 . . . 7122 1 388 . 1 1 36 36 ASP HB2 H 1 2.69 0.03 . 2 . . . . 36 . . . 7122 1 389 . 1 1 36 36 ASP C C 13 179.8 0.1 . 1 . . . . 36 . . . 7122 1 390 . 1 1 36 36 ASP CA C 13 52.9 0.1 . 1 . . . . 36 . . . 7122 1 391 . 1 1 36 36 ASP CB C 13 42.0 0.1 . 1 . . . . 36 . . . 7122 1 392 . 1 1 36 36 ASP N N 15 121.4 0.1 . 1 . . . . 36 . . . 7122 1 393 . 1 1 37 37 GLY H H 1 7.90 0.03 . 1 . . . . 37 . . . 7122 1 394 . 1 1 37 37 GLY HA2 H 1 4.18 0.03 . 2 . . . . 37 . . . 7122 1 395 . 1 1 37 37 GLY HA3 H 1 4.00 0.03 . 2 . . . . 37 . . . 7122 1 396 . 1 1 37 37 GLY C C 13 171.6 0.1 . 1 . . . . 37 . . . 7122 1 397 . 1 1 37 37 GLY CA C 13 44.6 0.1 . 1 . . . . 37 . . . 7122 1 398 . 1 1 37 37 GLY N N 15 107.7 0.1 . 1 . . . . 37 . . . 7122 1 399 . 1 1 38 38 GLU H H 1 8.25 0.03 . 1 . . . . 38 . . . 7122 1 400 . 1 1 38 38 GLU HA H 1 4.55 0.03 . 1 . . . . 38 . . . 7122 1 401 . 1 1 38 38 GLU HB2 H 1 2.03 0.03 . 2 . . . . 38 . . . 7122 1 402 . 1 1 38 38 GLU HB3 H 1 1.96 0.03 . 2 . . . . 38 . . . 7122 1 403 . 1 1 38 38 GLU HG2 H 1 2.26 0.03 . 2 . . . . 38 . . . 7122 1 404 . 1 1 38 38 GLU C C 13 179.7 0.1 . 1 . . . . 38 . . . 7122 1 405 . 1 1 38 38 GLU CA C 13 55.1 0.1 . 1 . . . . 38 . . . 7122 1 406 . 1 1 38 38 GLU CB C 13 31.4 0.1 . 1 . . . . 38 . . . 7122 1 407 . 1 1 38 38 GLU N N 15 117.9 0.1 . 1 . . . . 38 . . . 7122 1 408 . 1 1 39 39 VAL H H 1 8.71 0.03 . 1 . . . . 39 . . . 7122 1 409 . 1 1 39 39 VAL HA H 1 4.50 0.03 . 1 . . . . 39 . . . 7122 1 410 . 1 1 39 39 VAL HB H 1 2.17 0.03 . 1 . . . . 39 . . . 7122 1 411 . 1 1 39 39 VAL HG11 H 1 1.05 0.03 . 2 . . . . 39 . . . 7122 1 412 . 1 1 39 39 VAL HG12 H 1 1.05 0.03 . 2 . . . . 39 . . . 7122 1 413 . 1 1 39 39 VAL HG13 H 1 1.05 0.03 . 2 . . . . 39 . . . 7122 1 414 . 1 1 39 39 VAL HG21 H 1 1.17 0.03 . 2 . . . . 39 . . . 7122 1 415 . 1 1 39 39 VAL HG22 H 1 1.17 0.03 . 2 . . . . 39 . . . 7122 1 416 . 1 1 39 39 VAL HG23 H 1 1.17 0.03 . 2 . . . . 39 . . . 7122 1 417 . 1 1 39 39 VAL C C 13 178.9 0.1 . 1 . . . . 39 . . . 7122 1 418 . 1 1 39 39 VAL CA C 13 62.6 0.1 . 1 . . . . 39 . . . 7122 1 419 . 1 1 39 39 VAL CB C 13 31.1 0.1 . 1 . . . . 39 . . . 7122 1 420 . 1 1 39 39 VAL CG1 C 13 21.5 0.1 . 2 . . . . 39 . . . 7122 1 421 . 1 1 39 39 VAL CG2 C 13 21.2 0.1 . 2 . . . . 39 . . . 7122 1 422 . 1 1 39 39 VAL N N 15 123.9 0.1 . 1 . . . . 39 . . . 7122 1 423 . 1 1 40 40 VAL H H 1 8.74 0.03 . 1 . . . . 40 . . . 7122 1 424 . 1 1 40 40 VAL HA H 1 4.19 0.03 . 1 . . . . 40 . . . 7122 1 425 . 1 1 40 40 VAL HB H 1 2.11 0.03 . 1 . . . . 40 . . . 7122 1 426 . 1 1 40 40 VAL HG11 H 1 1.00 0.03 . 1 . . . . 40 . . . 7122 1 427 . 1 1 40 40 VAL HG12 H 1 1.00 0.03 . 1 . . . . 40 . . . 7122 1 428 . 1 1 40 40 VAL HG13 H 1 1.00 0.03 . 1 . . . . 40 . . . 7122 1 429 . 1 1 40 40 VAL HG21 H 1 1.16 0.03 . 1 . . . . 40 . . . 7122 1 430 . 1 1 40 40 VAL HG22 H 1 1.16 0.03 . 1 . . . . 40 . . . 7122 1 431 . 1 1 40 40 VAL HG23 H 1 1.16 0.03 . 1 . . . . 40 . . . 7122 1 432 . 1 1 40 40 VAL C C 13 179.8 0.1 . 1 . . . . 40 . . . 7122 1 433 . 1 1 40 40 VAL CA C 13 62.3 0.1 . 1 . . . . 40 . . . 7122 1 434 . 1 1 40 40 VAL CB C 13 32.7 0.1 . 1 . . . . 40 . . . 7122 1 435 . 1 1 40 40 VAL CG1 C 13 21.0 0.1 . 1 . . . . 40 . . . 7122 1 436 . 1 1 40 40 VAL CG2 C 13 21.5 0.1 . 1 . . . . 40 . . . 7122 1 437 . 1 1 40 40 VAL N N 15 129.6 0.1 . 1 . . . . 40 . . . 7122 1 438 . 1 1 41 41 SER H H 1 8.66 0.03 . 1 . . . . 41 . . . 7122 1 439 . 1 1 41 41 SER HA H 1 4.49 0.03 . 1 . . . . 41 . . . 7122 1 440 . 1 1 41 41 SER HB2 H 1 3.94 0.03 . 2 . . . . 41 . . . 7122 1 441 . 1 1 41 41 SER C C 13 181.5 0.1 . 1 . . . . 41 . . . 7122 1 442 . 1 1 41 41 SER CA C 13 59.4 0.1 . 1 . . . . 41 . . . 7122 1 443 . 1 1 41 41 SER CB C 13 63.7 0.1 . 1 . . . . 41 . . . 7122 1 444 . 1 1 41 41 SER N N 15 122.2 0.1 . 1 . . . . 41 . . . 7122 1 445 . 1 1 42 42 ASN H H 1 8.31 0.03 . 1 . . . . 42 . . . 7122 1 446 . 1 1 42 42 ASN HA H 1 5.15 0.03 . 1 . . . . 42 . . . 7122 1 447 . 1 1 42 42 ASN HB2 H 1 2.80 0.03 . 2 . . . . 42 . . . 7122 1 448 . 1 1 42 42 ASN HB3 H 1 2.70 0.03 . 2 . . . . 42 . . . 7122 1 449 . 1 1 42 42 ASN CA C 13 51.1 0.1 . 1 . . . . 42 . . . 7122 1 450 . 1 1 42 42 ASN CB C 13 38.4 0.1 . 1 . . . . 42 . . . 7122 1 451 . 1 1 42 42 ASN N N 15 118.9 . . 1 . . . . 42 . . . 7122 1 452 . 1 1 43 43 PRO HA H 1 4.56 0.03 . 1 . . . . 43 . . . 7122 1 453 . 1 1 43 43 PRO HB2 H 1 2.14 0.03 . 2 . . . . 43 . . . 7122 1 454 . 1 1 43 43 PRO HB3 H 1 2.03 0.03 . 2 . . . . 43 . . . 7122 1 455 . 1 1 43 43 PRO C C 13 178.9 0.1 . 1 . . . . 43 . . . 7122 1 456 . 1 1 43 43 PRO CA C 13 62.3 0.1 . 1 . . . . 43 . . . 7122 1 457 . 1 1 43 43 PRO CB C 13 32.5 0.1 . 1 . . . . 43 . . . 7122 1 458 . 1 1 44 44 GLU H H 1 9.17 0.03 . 1 . . . . 44 . . . 7122 1 459 . 1 1 44 44 GLU HA H 1 4.21 0.03 . 1 . . . . 44 . . . 7122 1 460 . 1 1 44 44 GLU HB2 H 1 2.02 0.03 . 2 . . . . 44 . . . 7122 1 461 . 1 1 44 44 GLU HB3 H 1 1.50 0.03 . 2 . . . . 44 . . . 7122 1 462 . 1 1 44 44 GLU HG2 H 1 2.33 0.03 . 2 . . . . 44 . . . 7122 1 463 . 1 1 44 44 GLU C C 13 177.7 0.1 . 1 . . . . 44 . . . 7122 1 464 . 1 1 44 44 GLU CA C 13 56.1 0.1 . 1 . . . . 44 . . . 7122 1 465 . 1 1 44 44 GLU CB C 13 29.1 0.1 . 1 . . . . 44 . . . 7122 1 466 . 1 1 44 44 GLU CG C 13 35.9 0.1 . 1 . . . . 44 . . . 7122 1 467 . 1 1 44 44 GLU N N 15 120.7 0.1 . 1 . . . . 44 . . . 7122 1 468 . 1 1 45 45 ASP C C 13 177.2 0.1 . 1 . . . . 45 . . . 7122 1 469 . 1 1 45 45 ASP CA C 13 57.9 0.1 . 1 . . . . 45 . . . 7122 1 470 . 1 1 45 45 ASP CB C 13 40.6 0.1 . 1 . . . . 45 . . . 7122 1 471 . 1 1 45 45 ASP N N 15 123.6 0.1 . 1 . . . . 45 . . . 7122 1 472 . 1 1 46 46 GLU H H 1 8.98 0.03 . 1 . . . . 46 . . . 7122 1 473 . 1 1 46 46 GLU HA H 1 3.99 0.03 . 1 . . . . 46 . . . 7122 1 474 . 1 1 46 46 GLU HB2 H 1 1.79 0.03 . 2 . . . . 46 . . . 7122 1 475 . 1 1 46 46 GLU HG2 H 1 2.11 0.03 . 2 . . . . 46 . . . 7122 1 476 . 1 1 46 46 GLU CA C 13 59.3 0.1 . 1 . . . . 46 . . . 7122 1 477 . 1 1 46 46 GLU CB C 13 28.8 0.1 . 1 . . . . 46 . . . 7122 1 478 . 1 1 46 46 GLU CG C 13 35.3 0.1 . 1 . . . . 46 . . . 7122 1 479 . 1 1 46 46 GLU N N 15 116.9 0.1 . 1 . . . . 46 . . . 7122 1 480 . 1 1 47 47 HIS H H 1 6.72 0.03 . 1 . . . . 47 . . . 7122 1 481 . 1 1 47 47 HIS HA H 1 4.47 0.03 . 1 . . . . 47 . . . 7122 1 482 . 1 1 47 47 HIS HB2 H 1 3.80 0.03 . 2 . . . . 47 . . . 7122 1 483 . 1 1 47 47 HIS HB3 H 1 3.15 0.03 . 2 . . . . 47 . . . 7122 1 484 . 1 1 47 47 HIS HD2 H 1 5.78 0.03 . 3 . . . . 47 . . . 7122 1 485 . 1 1 47 47 HIS C C 13 178.0 0.1 . 1 . . . . 47 . . . 7122 1 486 . 1 1 47 47 HIS CA C 13 57.2 0.1 . 1 . . . . 47 . . . 7122 1 487 . 1 1 47 47 HIS CB C 13 31.0 0.1 . 1 . . . . 47 . . . 7122 1 488 . 1 1 47 47 HIS N N 15 117.1 0.1 . 1 . . . . 47 . . . 7122 1 489 . 1 1 48 48 LEU H H 1 8.10 0.03 . 1 . . . . 48 . . . 7122 1 490 . 1 1 48 48 LEU HA H 1 4.05 0.03 . 1 . . . . 48 . . . 7122 1 491 . 1 1 48 48 LEU HB2 H 1 1.92 0.03 . 2 . . . . 48 . . . 7122 1 492 . 1 1 48 48 LEU HB3 H 1 1.46 0.03 . 2 . . . . 48 . . . 7122 1 493 . 1 1 48 48 LEU HG H 1 1.61 0.03 . 1 . . . . 48 . . . 7122 1 494 . 1 1 48 48 LEU HD21 H 1 0.94 0.03 . 2 . . . . 48 . . . 7122 1 495 . 1 1 48 48 LEU HD22 H 1 0.94 0.03 . 2 . . . . 48 . . . 7122 1 496 . 1 1 48 48 LEU HD23 H 1 0.94 0.03 . 2 . . . . 48 . . . 7122 1 497 . 1 1 48 48 LEU C C 13 177.6 0.1 . 1 . . . . 48 . . . 7122 1 498 . 1 1 48 48 LEU CA C 13 58.3 0.1 . 1 . . . . 48 . . . 7122 1 499 . 1 1 48 48 LEU CB C 13 41.8 0.1 . 1 . . . . 48 . . . 7122 1 500 . 1 1 48 48 LEU CG C 13 26.7 0.1 . 1 . . . . 48 . . . 7122 1 501 . 1 1 48 48 LEU CD2 C 13 24.8 0.1 . 2 . . . . 48 . . . 7122 1 502 . 1 1 48 48 LEU N N 15 120.6 0.1 . 1 . . . . 48 . . . 7122 1 503 . 1 1 49 49 LYS H H 1 8.14 0.03 . 1 . . . . 49 . . . 7122 1 504 . 1 1 49 49 LYS HA H 1 4.08 0.03 . 1 . . . . 49 . . . 7122 1 505 . 1 1 49 49 LYS HB2 H 1 1.92 0.03 . 2 . . . . 49 . . . 7122 1 506 . 1 1 49 49 LYS HE2 H 1 2.96 0.03 . 2 . . . . 49 . . . 7122 1 507 . 1 1 49 49 LYS C C 13 176.4 0.1 . 1 . . . . 49 . . . 7122 1 508 . 1 1 49 49 LYS CA C 13 59.0 0.1 . 1 . . . . 49 . . . 7122 1 509 . 1 1 49 49 LYS CB C 13 31.9 0.1 . 1 . . . . 49 . . . 7122 1 510 . 1 1 49 49 LYS N N 15 116.9 0.1 . 1 . . . . 49 . . . 7122 1 511 . 1 1 50 50 VAL H H 1 7.36 0.03 . 1 . . . . 50 . . . 7122 1 512 . 1 1 50 50 VAL HA H 1 3.61 0.03 . 1 . . . . 50 . . . 7122 1 513 . 1 1 50 50 VAL HB H 1 2.47 0.03 . 1 . . . . 50 . . . 7122 1 514 . 1 1 50 50 VAL HG11 H 1 1.11 0.03 . 2 . . . . 50 . . . 7122 1 515 . 1 1 50 50 VAL HG12 H 1 1.11 0.03 . 2 . . . . 50 . . . 7122 1 516 . 1 1 50 50 VAL HG13 H 1 1.11 0.03 . 2 . . . . 50 . . . 7122 1 517 . 1 1 50 50 VAL HG21 H 1 1.40 0.03 . 2 . . . . 50 . . . 7122 1 518 . 1 1 50 50 VAL HG22 H 1 1.40 0.03 . 2 . . . . 50 . . . 7122 1 519 . 1 1 50 50 VAL HG23 H 1 1.40 0.03 . 2 . . . . 50 . . . 7122 1 520 . 1 1 50 50 VAL C C 13 178.7 0.1 . 1 . . . . 50 . . . 7122 1 521 . 1 1 50 50 VAL CA C 13 67.0 0.1 . 1 . . . . 50 . . . 7122 1 522 . 1 1 50 50 VAL CB C 13 31.2 0.1 . 1 . . . . 50 . . . 7122 1 523 . 1 1 50 50 VAL CG1 C 13 22.5 0.1 . 1 . . . . 50 . . . 7122 1 524 . 1 1 50 50 VAL CG2 C 13 23.0 0.1 . 1 . . . . 50 . . . 7122 1 525 . 1 1 50 50 VAL N N 15 118.1 0.1 . 1 . . . . 50 . . . 7122 1 526 . 1 1 51 51 ALA H H 1 7.90 0.03 . 1 . . . . 51 . . . 7122 1 527 . 1 1 51 51 ALA HA H 1 3.97 0.03 . 1 . . . . 51 . . . 7122 1 528 . 1 1 51 51 ALA HB1 H 1 1.51 0.03 . 1 . . . . 51 . . . 7122 1 529 . 1 1 51 51 ALA HB2 H 1 1.51 0.03 . 1 . . . . 51 . . . 7122 1 530 . 1 1 51 51 ALA HB3 H 1 1.51 0.03 . 1 . . . . 51 . . . 7122 1 531 . 1 1 51 51 ALA C C 13 177.4 0.1 . 1 . . . . 51 . . . 7122 1 532 . 1 1 51 51 ALA CA C 13 55.8 0.1 . 1 . . . . 51 . . . 7122 1 533 . 1 1 51 51 ALA CB C 13 17.8 0.1 . 1 . . . . 51 . . . 7122 1 534 . 1 1 51 51 ALA N N 15 122.1 0.1 . 1 . . . . 51 . . . 7122 1 535 . 1 1 52 52 GLU H H 1 8.55 0.03 . 1 . . . . 52 . . . 7122 1 536 . 1 1 52 52 GLU HA H 1 3.76 0.03 . 1 . . . . 52 . . . 7122 1 537 . 1 1 52 52 GLU HB2 H 1 2.22 0.03 . 2 . . . . 52 . . . 7122 1 538 . 1 1 52 52 GLU HB3 H 1 2.01 0.03 . 2 . . . . 52 . . . 7122 1 539 . 1 1 52 52 GLU C C 13 177.0 0.1 . 1 . . . . 52 . . . 7122 1 540 . 1 1 52 52 GLU CA C 13 60.5 0.1 . 1 . . . . 52 . . . 7122 1 541 . 1 1 52 52 GLU CB C 13 29.6 0.1 . 1 . . . . 52 . . . 7122 1 542 . 1 1 52 52 GLU N N 15 115.7 0.1 . 1 . . . . 52 . . . 7122 1 543 . 1 1 53 53 ILE H H 1 7.69 0.03 . 1 . . . . 53 . . . 7122 1 544 . 1 1 53 53 ILE HA H 1 3.63 0.03 . 1 . . . . 53 . . . 7122 1 545 . 1 1 53 53 ILE HB H 1 2.16 0.03 . 1 . . . . 53 . . . 7122 1 546 . 1 1 53 53 ILE HG12 H 1 1.81 0.03 . 2 . . . . 53 . . . 7122 1 547 . 1 1 53 53 ILE HG13 H 1 1.10 0.03 . 2 . . . . 53 . . . 7122 1 548 . 1 1 53 53 ILE HG21 H 1 0.90 0.03 . 1 . . . . 53 . . . 7122 1 549 . 1 1 53 53 ILE HG22 H 1 0.90 0.03 . 1 . . . . 53 . . . 7122 1 550 . 1 1 53 53 ILE HG23 H 1 0.90 0.03 . 1 . . . . 53 . . . 7122 1 551 . 1 1 53 53 ILE HD11 H 1 0.82 0.03 . 1 . . . . 53 . . . 7122 1 552 . 1 1 53 53 ILE HD12 H 1 0.82 0.03 . 1 . . . . 53 . . . 7122 1 553 . 1 1 53 53 ILE HD13 H 1 0.82 0.03 . 1 . . . . 53 . . . 7122 1 554 . 1 1 53 53 ILE C C 13 178.7 0.1 . 1 . . . . 53 . . . 7122 1 555 . 1 1 53 53 ILE CA C 13 65.2 0.1 . 1 . . . . 53 . . . 7122 1 556 . 1 1 53 53 ILE CB C 13 37.5 0.1 . 1 . . . . 53 . . . 7122 1 557 . 1 1 53 53 ILE CG1 C 13 30.5 0.1 . 1 . . . . 53 . . . 7122 1 558 . 1 1 53 53 ILE CG2 C 13 18.8 0.1 . 1 . . . . 53 . . . 7122 1 559 . 1 1 53 53 ILE CD1 C 13 13.2 0.1 . 1 . . . . 53 . . . 7122 1 560 . 1 1 53 53 ILE N N 15 120.7 0.1 . 1 . . . . 53 . . . 7122 1 561 . 1 1 54 54 ILE H H 1 8.20 0.03 . 1 . . . . 54 . . . 7122 1 562 . 1 1 54 54 ILE HA H 1 3.55 0.03 . 1 . . . . 54 . . . 7122 1 563 . 1 1 54 54 ILE HB H 1 1.95 0.03 . 1 . . . . 54 . . . 7122 1 564 . 1 1 54 54 ILE HG21 H 1 0.83 0.03 . 1 . . . . 54 . . . 7122 1 565 . 1 1 54 54 ILE HG22 H 1 0.83 0.03 . 1 . . . . 54 . . . 7122 1 566 . 1 1 54 54 ILE HG23 H 1 0.83 0.03 . 1 . . . . 54 . . . 7122 1 567 . 1 1 54 54 ILE HD11 H 1 0.78 0.03 . 1 . . . . 54 . . . 7122 1 568 . 1 1 54 54 ILE HD12 H 1 0.78 0.03 . 1 . . . . 54 . . . 7122 1 569 . 1 1 54 54 ILE HD13 H 1 0.78 0.03 . 1 . . . . 54 . . . 7122 1 570 . 1 1 54 54 ILE C C 13 178.3 0.1 . 1 . . . . 54 . . . 7122 1 571 . 1 1 54 54 ILE CA C 13 66.4 0.1 . 1 . . . . 54 . . . 7122 1 572 . 1 1 54 54 ILE CB C 13 37.1 0.1 . 1 . . . . 54 . . . 7122 1 573 . 1 1 54 54 ILE CG2 C 13 17.3 0.1 . 1 . . . . 54 . . . 7122 1 574 . 1 1 54 54 ILE CD1 C 13 13.9 0.1 . 1 . . . . 54 . . . 7122 1 575 . 1 1 54 54 ILE N N 15 122.1 0.1 . 1 . . . . 54 . . . 7122 1 576 . 1 1 55 55 LEU H H 1 8.00 0.03 . 1 . . . . 55 . . . 7122 1 577 . 1 1 55 55 LEU HA H 1 3.88 0.03 . 1 . . . . 55 . . . 7122 1 578 . 1 1 55 55 LEU HB2 H 1 2.06 0.03 . 2 . . . . 55 . . . 7122 1 579 . 1 1 55 55 LEU HB3 H 1 1.24 0.03 . 2 . . . . 55 . . . 7122 1 580 . 1 1 55 55 LEU HG H 1 1.50 0.03 . 1 . . . . 55 . . . 7122 1 581 . 1 1 55 55 LEU HD11 H 1 0.50 0.03 . 1 . . . . 55 . . . 7122 1 582 . 1 1 55 55 LEU HD12 H 1 0.50 0.03 . 1 . . . . 55 . . . 7122 1 583 . 1 1 55 55 LEU HD13 H 1 0.50 0.03 . 1 . . . . 55 . . . 7122 1 584 . 1 1 55 55 LEU HD21 H 1 0.83 0.03 . 1 . . . . 55 . . . 7122 1 585 . 1 1 55 55 LEU HD22 H 1 0.83 0.03 . 1 . . . . 55 . . . 7122 1 586 . 1 1 55 55 LEU HD23 H 1 0.83 0.03 . 1 . . . . 55 . . . 7122 1 587 . 1 1 55 55 LEU C C 13 177.7 0.1 . 1 . . . . 55 . . . 7122 1 588 . 1 1 55 55 LEU CA C 13 58.3 0.1 . 1 . . . . 55 . . . 7122 1 589 . 1 1 55 55 LEU CB C 13 41.9 0.1 . 1 . . . . 55 . . . 7122 1 590 . 1 1 55 55 LEU CG C 13 26.3 0.1 . 1 . . . . 55 . . . 7122 1 591 . 1 1 55 55 LEU CD1 C 13 24.4 0.1 . 1 . . . . 55 . . . 7122 1 592 . 1 1 55 55 LEU CD2 C 13 25.8 0.1 . 1 . . . . 55 . . . 7122 1 593 . 1 1 55 55 LEU N N 15 120.4 0.1 . 1 . . . . 55 . . . 7122 1 594 . 1 1 56 56 LYS H H 1 7.91 0.03 . 1 . . . . 56 . . . 7122 1 595 . 1 1 56 56 LYS HA H 1 4.08 0.03 . 1 . . . . 56 . . . 7122 1 596 . 1 1 56 56 LYS HB2 H 1 2.06 0.03 . 2 . . . . 56 . . . 7122 1 597 . 1 1 56 56 LYS HB3 H 1 1.51 0.03 . 2 . . . . 56 . . . 7122 1 598 . 1 1 56 56 LYS HE2 H 1 2.93 0.03 . 2 . . . . 56 . . . 7122 1 599 . 1 1 56 56 LYS C C 13 176.1 0.1 . 1 . . . . 56 . . . 7122 1 600 . 1 1 56 56 LYS CA C 13 60.2 0.1 . 1 . . . . 56 . . . 7122 1 601 . 1 1 56 56 LYS CB C 13 33.1 0.1 . 1 . . . . 56 . . . 7122 1 602 . 1 1 56 56 LYS N N 15 116.5 0.1 . 1 . . . . 56 . . . 7122 1 603 . 1 1 57 57 LEU H H 1 8.52 0.03 . 1 . . . . 57 . . . 7122 1 604 . 1 1 57 57 LEU HA H 1 4.11 0.03 . 1 . . . . 57 . . . 7122 1 605 . 1 1 57 57 LEU HB2 H 1 2.27 0.03 . 2 . . . . 57 . . . 7122 1 606 . 1 1 57 57 LEU HB3 H 1 1.48 0.03 . 2 . . . . 57 . . . 7122 1 607 . 1 1 57 57 LEU HD11 H 1 0.72 0.03 . 1 . . . . 57 . . . 7122 1 608 . 1 1 57 57 LEU HD12 H 1 0.72 0.03 . 1 . . . . 57 . . . 7122 1 609 . 1 1 57 57 LEU HD13 H 1 0.72 0.03 . 1 . . . . 57 . . . 7122 1 610 . 1 1 57 57 LEU HD21 H 1 0.86 0.03 . 1 . . . . 57 . . . 7122 1 611 . 1 1 57 57 LEU HD22 H 1 0.86 0.03 . 1 . . . . 57 . . . 7122 1 612 . 1 1 57 57 LEU HD23 H 1 0.86 0.03 . 1 . . . . 57 . . . 7122 1 613 . 1 1 57 57 LEU C C 13 176.0 0.1 . 1 . . . . 57 . . . 7122 1 614 . 1 1 57 57 LEU CA C 13 58.1 0.1 . 1 . . . . 57 . . . 7122 1 615 . 1 1 57 57 LEU CB C 13 43.4 0.1 . 1 . . . . 57 . . . 7122 1 616 . 1 1 57 57 LEU CG C 13 25.6 0.1 . 1 . . . . 57 . . . 7122 1 617 . 1 1 57 57 LEU CD1 C 13 26.5 0.1 . 1 . . . . 57 . . . 7122 1 618 . 1 1 57 57 LEU CD2 C 13 24.2 0.1 . 1 . . . . 57 . . . 7122 1 619 . 1 1 57 57 LEU N N 15 121.1 0.1 . 1 . . . . 57 . . . 7122 1 620 . 1 1 58 58 TYR H H 1 8.09 0.03 . 1 . . . . 58 . . . 7122 1 621 . 1 1 58 58 TYR HA H 1 4.02 0.03 . 1 . . . . 58 . . . 7122 1 622 . 1 1 58 58 TYR HB2 H 1 3.10 0.03 . 2 . . . . 58 . . . 7122 1 623 . 1 1 58 58 TYR HB3 H 1 2.68 0.03 . 2 . . . . 58 . . . 7122 1 624 . 1 1 58 58 TYR HD1 H 1 6.43 0.03 . 3 . . . . 58 . . . 7122 1 625 . 1 1 58 58 TYR HD2 H 1 6.28 0.03 . 3 . . . . 58 . . . 7122 1 626 . 1 1 58 58 TYR CA C 13 60.6 0.1 . 1 . . . . 58 . . . 7122 1 627 . 1 1 58 58 TYR CB C 13 38.8 0.1 . 1 . . . . 58 . . . 7122 1 628 . 1 1 58 58 TYR CD1 C 13 132.5 0.1 . 3 . . . . 58 . . . 7122 1 629 . 1 1 58 58 TYR CE1 C 13 118.8 0.1 . 3 . . . . 58 . . . 7122 1 630 . 1 1 58 58 TYR N N 15 122.8 0.1 . 1 . . . . 58 . . . 7122 1 631 . 1 1 59 59 PHE H H 1 7.23 0.03 . 1 . . . . 59 . . . 7122 1 632 . 1 1 59 59 PHE HA H 1 4.25 0.03 . 1 . . . . 59 . . . 7122 1 633 . 1 1 59 59 PHE HB2 H 1 3.48 0.03 . 2 . . . . 59 . . . 7122 1 634 . 1 1 59 59 PHE HB3 H 1 2.78 0.03 . 2 . . . . 59 . . . 7122 1 635 . 1 1 59 59 PHE HD1 H 1 7.40 0.03 . 3 . . . . 59 . . . 7122 1 636 . 1 1 59 59 PHE C C 13 180.6 0.1 . 1 . . . . 59 . . . 7122 1 637 . 1 1 59 59 PHE CD1 C 13 131.7 0.1 . 1 . . . . 59 . . . 7122 1 638 . 1 1 59 59 PHE N N 15 108.4 0.1 . 1 . . . . 59 . . . 7122 1 639 . 1 1 60 60 ALA H H 1 8.35 0.03 . 1 . . . . 60 . . . 7122 1 640 . 1 1 60 60 ALA HA H 1 4.50 0.03 . 1 . . . . 60 . . . 7122 1 641 . 1 1 60 60 ALA HB1 H 1 1.49 0.03 . 1 . . . . 60 . . . 7122 1 642 . 1 1 60 60 ALA HB2 H 1 1.49 0.03 . 1 . . . . 60 . . . 7122 1 643 . 1 1 60 60 ALA HB3 H 1 1.49 0.03 . 1 . . . . 60 . . . 7122 1 644 . 1 1 60 60 ALA C C 13 178.8 0.1 . 1 . . . . 60 . . . 7122 1 645 . 1 1 60 60 ALA CA C 13 52.5 0.1 . 1 . . . . 60 . . . 7122 1 646 . 1 1 60 60 ALA CB C 13 18.4 0.1 . 1 . . . . 60 . . . 7122 1 647 . 1 1 60 60 ALA N N 15 123.0 0.1 . 1 . . . . 60 . . . 7122 1 648 . 1 1 61 61 GLU H H 1 8.95 0.03 . 1 . . . . 61 . . . 7122 1 649 . 1 1 61 61 GLU HA H 1 4.34 0.03 . 1 . . . . 61 . . . 7122 1 650 . 1 1 61 61 GLU HB2 H 1 2.28 0.03 . 2 . . . . 61 . . . 7122 1 651 . 1 1 61 61 GLU HB3 H 1 1.77 0.03 . 2 . . . . 61 . . . 7122 1 652 . 1 1 61 61 GLU C C 13 180.5 0.1 . 1 . . . . 61 . . . 7122 1 653 . 1 1 61 61 GLU CA C 13 55.9 0.1 . 1 . . . . 61 . . . 7122 1 654 . 1 1 61 61 GLU CB C 13 31.0 0.1 . 1 . . . . 61 . . . 7122 1 655 . 1 1 61 61 GLU N N 15 114.4 0.1 . 1 . . . . 61 . . . 7122 1 656 . 1 1 62 62 ILE H H 1 7.43 0.03 . 1 . . . . 62 . . . 7122 1 657 . 1 1 62 62 ILE HA H 1 4.35 0.03 . 1 . . . . 62 . . . 7122 1 658 . 1 1 62 62 ILE HB H 1 1.58 0.03 . 1 . . . . 62 . . . 7122 1 659 . 1 1 62 62 ILE HG21 H 1 0.61 0.03 . 1 . . . . 62 . . . 7122 1 660 . 1 1 62 62 ILE HG22 H 1 0.61 0.03 . 1 . . . . 62 . . . 7122 1 661 . 1 1 62 62 ILE HG23 H 1 0.61 0.03 . 1 . . . . 62 . . . 7122 1 662 . 1 1 62 62 ILE HD11 H 1 0.80 0.03 . 1 . . . . 62 . . . 7122 1 663 . 1 1 62 62 ILE HD12 H 1 0.80 0.03 . 1 . . . . 62 . . . 7122 1 664 . 1 1 62 62 ILE HD13 H 1 0.80 0.03 . 1 . . . . 62 . . . 7122 1 665 . 1 1 62 62 ILE C C 13 172.2 0.1 . 1 . . . . 62 . . . 7122 1 666 . 1 1 62 62 ILE CA C 13 59.7 0.1 . 1 . . . . 62 . . . 7122 1 667 . 1 1 62 62 ILE CB C 13 41.8 0.1 . 1 . . . . 62 . . . 7122 1 668 . 1 1 62 62 ILE N N 15 116.0 0.1 . 1 . . . . 62 . . . 7122 1 669 . 1 1 63 63 ASP H H 1 7.91 0.03 . 1 . . . . 63 . . . 7122 1 670 . 1 1 63 63 ASP HA H 1 4.60 0.03 . 1 . . . . 63 . . . 7122 1 671 . 1 1 63 63 ASP HB2 H 1 2.53 0.03 . 2 . . . . 63 . . . 7122 1 672 . 1 1 63 63 ASP C C 13 179.0 0.1 . 1 . . . . 63 . . . 7122 1 673 . 1 1 63 63 ASP CA C 13 54.1 0.1 . 1 . . . . 63 . . . 7122 1 674 . 1 1 63 63 ASP CB C 13 43.1 0.1 . 1 . . . . 63 . . . 7122 1 675 . 1 1 63 63 ASP N N 15 123.8 0.1 . 1 . . . . 63 . . . 7122 1 676 . 1 1 64 64 ASP H H 1 9.36 0.03 . 1 . . . . 64 . . . 7122 1 677 . 1 1 64 64 ASP HA H 1 4.14 0.03 . 1 . . . . 64 . . . 7122 1 678 . 1 1 64 64 ASP HB2 H 1 3.02 0.03 . 2 . . . . 64 . . . 7122 1 679 . 1 1 64 64 ASP HB3 H 1 2.71 0.03 . 2 . . . . 64 . . . 7122 1 680 . 1 1 64 64 ASP C C 13 178.7 0.1 . 1 . . . . 64 . . . 7122 1 681 . 1 1 64 64 ASP CA C 13 57.8 0.1 . 1 . . . . 64 . . . 7122 1 682 . 1 1 64 64 ASP CB C 13 38.8 0.1 . 1 . . . . 64 . . . 7122 1 683 . 1 1 64 64 ASP N N 15 127.2 0.1 . 1 . . . . 64 . . . 7122 1 684 . 1 1 65 65 LYS H H 1 8.25 0.03 . 1 . . . . 65 . . . 7122 1 685 . 1 1 65 65 LYS HA H 1 3.98 0.03 . 1 . . . . 65 . . . 7122 1 686 . 1 1 65 65 LYS HB2 H 1 1.92 0.03 . 2 . . . . 65 . . . 7122 1 687 . 1 1 65 65 LYS CA C 13 59.4 0.1 . 1 . . . . 65 . . . 7122 1 688 . 1 1 65 65 LYS CB C 13 31.4 0.1 . 1 . . . . 65 . . . 7122 1 689 . 1 1 65 65 LYS N N 15 118.6 0.1 . 1 . . . . 65 . . . 7122 1 690 . 1 1 66 66 LYS H H 1 7.27 0.03 . 1 . . . . 66 . . . 7122 1 691 . 1 1 66 66 LYS HA H 1 4.17 0.03 . 1 . . . . 66 . . . 7122 1 692 . 1 1 66 66 LYS HB2 H 1 2.01 0.03 . 2 . . . . 66 . . . 7122 1 693 . 1 1 66 66 LYS HB3 H 1 1.51 0.03 . 2 . . . . 66 . . . 7122 1 694 . 1 1 66 66 LYS HD2 H 1 1.73 0.03 . 2 . . . . 66 . . . 7122 1 695 . 1 1 66 66 LYS HE2 H 1 3.00 0.03 . 2 . . . . 66 . . . 7122 1 696 . 1 1 66 66 LYS C C 13 176.1 0.1 . 1 . . . . 66 . . . 7122 1 697 . 1 1 66 66 LYS CA C 13 57.6 0.1 . 1 . . . . 66 . . . 7122 1 698 . 1 1 66 66 LYS CB C 13 31.7 0.1 . 1 . . . . 66 . . . 7122 1 699 . 1 1 66 66 LYS CD C 13 29.2 0.1 . 1 . . . . 66 . . . 7122 1 700 . 1 1 66 66 LYS CE C 13 42.1 0.1 . 1 . . . . 66 . . . 7122 1 701 . 1 1 66 66 LYS N N 15 117.6 0.1 . 1 . . . . 66 . . . 7122 1 702 . 1 1 67 67 VAL H H 1 7.70 0.03 . 1 . . . . 67 . . . 7122 1 703 . 1 1 67 67 VAL HA H 1 3.59 0.03 . 1 . . . . 67 . . . 7122 1 704 . 1 1 67 67 VAL HB H 1 2.28 0.03 . 1 . . . . 67 . . . 7122 1 705 . 1 1 67 67 VAL HG11 H 1 1.05 0.03 . 1 . . . . 67 . . . 7122 1 706 . 1 1 67 67 VAL HG12 H 1 1.05 0.03 . 1 . . . . 67 . . . 7122 1 707 . 1 1 67 67 VAL HG13 H 1 1.05 0.03 . 1 . . . . 67 . . . 7122 1 708 . 1 1 67 67 VAL HG21 H 1 0.98 0.03 . 1 . . . . 67 . . . 7122 1 709 . 1 1 67 67 VAL HG22 H 1 0.98 0.03 . 1 . . . . 67 . . . 7122 1 710 . 1 1 67 67 VAL HG23 H 1 0.98 0.03 . 1 . . . . 67 . . . 7122 1 711 . 1 1 67 67 VAL C C 13 178.1 0.1 . 1 . . . . 67 . . . 7122 1 712 . 1 1 67 67 VAL CA C 13 67.3 0.1 . 1 . . . . 67 . . . 7122 1 713 . 1 1 67 67 VAL CB C 13 30.7 0.1 . 1 . . . . 67 . . . 7122 1 714 . 1 1 67 67 VAL CG1 C 13 19.0 0.1 . 1 . . . . 67 . . . 7122 1 715 . 1 1 67 67 VAL CG2 C 13 20.4 0.1 . 1 . . . . 67 . . . 7122 1 716 . 1 1 67 67 VAL N N 15 117.9 0.1 . 1 . . . . 67 . . . 7122 1 717 . 1 1 68 68 ARG H H 1 7.88 0.03 . 1 . . . . 68 . . . 7122 1 718 . 1 1 68 68 ARG HA H 1 4.09 0.03 . 1 . . . . 68 . . . 7122 1 719 . 1 1 68 68 ARG HB2 H 1 2.10 0.03 . 2 . . . . 68 . . . 7122 1 720 . 1 1 68 68 ARG HB3 H 1 2.33 0.03 . 2 . . . . 68 . . . 7122 1 721 . 1 1 68 68 ARG C C 13 179.2 0.1 . 1 . . . . 68 . . . 7122 1 722 . 1 1 68 68 ARG CA C 13 60.3 0.1 . 1 . . . . 68 . . . 7122 1 723 . 1 1 68 68 ARG CB C 13 30.0 0.1 . 1 . . . . 68 . . . 7122 1 724 . 1 1 68 68 ARG N N 15 116.2 0.1 . 1 . . . . 68 . . . 7122 1 725 . 1 1 69 69 GLU H H 1 7.35 0.03 . 1 . . . . 69 . . . 7122 1 726 . 1 1 69 69 GLU HA H 1 4.46 0.03 . 1 . . . . 69 . . . 7122 1 727 . 1 1 69 69 GLU HB2 H 1 2.22 0.03 . 1 . . . . 69 . . . 7122 1 728 . 1 1 69 69 GLU C C 13 178.3 0.1 . 1 . . . . 69 . . . 7122 1 729 . 1 1 69 69 GLU CA C 13 57.2 0.1 . 1 . . . . 69 . . . 7122 1 730 . 1 1 69 69 GLU CB C 13 30.2 0.1 . 1 . . . . 69 . . . 7122 1 731 . 1 1 69 69 GLU N N 15 115.1 0.1 . 1 . . . . 69 . . . 7122 1 732 . 1 1 70 70 LEU H H 1 7.70 0.03 . 1 . . . . 70 . . . 7122 1 733 . 1 1 70 70 LEU HA H 1 4.42 0.03 . 1 . . . . 70 . . . 7122 1 734 . 1 1 70 70 LEU HB2 H 1 1.91 0.03 . 2 . . . . 70 . . . 7122 1 735 . 1 1 70 70 LEU HB3 H 1 1.63 0.03 . 2 . . . . 70 . . . 7122 1 736 . 1 1 70 70 LEU HG H 1 1.84 0.03 . 1 . . . . 70 . . . 7122 1 737 . 1 1 70 70 LEU HD11 H 1 0.88 0.03 . 2 . . . . 70 . . . 7122 1 738 . 1 1 70 70 LEU HD12 H 1 0.88 0.03 . 2 . . . . 70 . . . 7122 1 739 . 1 1 70 70 LEU HD13 H 1 0.88 0.03 . 2 . . . . 70 . . . 7122 1 740 . 1 1 70 70 LEU C C 13 178.1 0.1 . 1 . . . . 70 . . . 7122 1 741 . 1 1 70 70 LEU CA C 13 56.1 0.1 . 1 . . . . 70 . . . 7122 1 742 . 1 1 70 70 LEU CB C 13 44.7 0.1 . 1 . . . . 70 . . . 7122 1 743 . 1 1 70 70 LEU CG C 13 26.1 0.1 . 1 . . . . 70 . . . 7122 1 744 . 1 1 70 70 LEU CD1 C 13 24.6 0.1 . 2 . . . . 70 . . . 7122 1 745 . 1 1 70 70 LEU N N 15 119.2 0.1 . 1 . . . . 70 . . . 7122 1 746 . 1 1 71 71 ILE H H 1 7.82 0.03 . 1 . . . . 71 . . . 7122 1 747 . 1 1 71 71 ILE HA H 1 4.62 0.03 . 1 . . . . 71 . . . 7122 1 748 . 1 1 71 71 ILE HB H 1 2.03 0.03 . 1 . . . . 71 . . . 7122 1 749 . 1 1 71 71 ILE HG12 H 1 1.52 0.03 . 2 . . . . 71 . . . 7122 1 750 . 1 1 71 71 ILE HG13 H 1 1.36 0.03 . 2 . . . . 71 . . . 7122 1 751 . 1 1 71 71 ILE HG21 H 1 0.98 0.03 . 1 . . . . 71 . . . 7122 1 752 . 1 1 71 71 ILE HG22 H 1 0.98 0.03 . 1 . . . . 71 . . . 7122 1 753 . 1 1 71 71 ILE HG23 H 1 0.98 0.03 . 1 . . . . 71 . . . 7122 1 754 . 1 1 71 71 ILE HD11 H 1 0.83 0.03 . 1 . . . . 71 . . . 7122 1 755 . 1 1 71 71 ILE HD12 H 1 0.83 0.03 . 1 . . . . 71 . . . 7122 1 756 . 1 1 71 71 ILE HD13 H 1 0.83 0.03 . 1 . . . . 71 . . . 7122 1 757 . 1 1 71 71 ILE C C 13 181.0 0.1 . 1 . . . . 71 . . . 7122 1 758 . 1 1 71 71 ILE CA C 13 59.4 0.1 . 1 . . . . 71 . . . 7122 1 759 . 1 1 71 71 ILE CB C 13 40.2 0.1 . 1 . . . . 71 . . . 7122 1 760 . 1 1 71 71 ILE CG1 C 13 26.2 0.1 . 1 . . . . 71 . . . 7122 1 761 . 1 1 71 71 ILE CG2 C 13 17.4 0.1 . 1 . . . . 71 . . . 7122 1 762 . 1 1 71 71 ILE CD1 C 13 14.6 0.1 . 1 . . . . 71 . . . 7122 1 763 . 1 1 71 71 ILE N N 15 114.9 0.1 . 1 . . . . 71 . . . 7122 1 764 . 1 1 72 72 SER H H 1 8.52 0.03 . 1 . . . . 72 . . . 7122 1 765 . 1 1 72 72 SER HA H 1 4.77 0.03 . 1 . . . . 72 . . . 7122 1 766 . 1 1 72 72 SER HB2 H 1 3.98 0.03 . 2 . . . . 72 . . . 7122 1 767 . 1 1 72 72 SER HB3 H 1 3.94 0.03 . 2 . . . . 72 . . . 7122 1 768 . 1 1 72 72 SER C C 13 181.9 0.1 . 1 . . . . 72 . . . 7122 1 769 . 1 1 72 72 SER CA C 13 57.2 0.1 . 1 . . . . 72 . . . 7122 1 770 . 1 1 72 72 SER CB C 13 63.3 0.1 . 1 . . . . 72 . . . 7122 1 771 . 1 1 72 72 SER N N 15 118.2 0.1 . 1 . . . . 72 . . . 7122 1 772 . 1 1 73 73 TYR H H 1 8.52 0.03 . 1 . . . . 73 . . . 7122 1 773 . 1 1 73 73 TYR HA H 1 4.77 0.03 . 1 . . . . 73 . . . 7122 1 774 . 1 1 73 73 TYR HB2 H 1 3.98 0.03 . 2 . . . . 73 . . . 7122 1 775 . 1 1 73 73 TYR HB3 H 1 3.94 0.03 . 2 . . . . 73 . . . 7122 1 776 . 1 1 73 73 TYR HD1 H 1 6.90 0.03 . 3 . . . . 73 . . . 7122 1 777 . 1 1 73 73 TYR HE1 H 1 6.90 0.03 . 3 . . . . 73 . . . 7122 1 778 . 1 1 73 73 TYR C C 13 171.0 0.1 . 1 . . . . 73 . . . 7122 1 779 . 1 1 73 73 TYR CA C 13 55.4 0.1 . 1 . . . . 73 . . . 7122 1 780 . 1 1 73 73 TYR CB C 13 41.4 0.1 . 1 . . . . 73 . . . 7122 1 781 . 1 1 73 73 TYR CD1 C 13 133.7 0.1 . 3 . . . . 73 . . . 7122 1 782 . 1 1 73 73 TYR CE1 C 13 118.3 0.1 . 3 . . . . 73 . . . 7122 1 783 . 1 1 73 73 TYR N N 15 124.8 0.1 . 1 . . . . 73 . . . 7122 1 784 . 1 1 74 74 LYS H H 1 8.40 0.03 . 1 . . . . 74 . . . 7122 1 785 . 1 1 74 74 LYS HA H 1 4.39 0.03 . 1 . . . . 74 . . . 7122 1 786 . 1 1 74 74 LYS HB2 H 1 1.57 0.03 . 2 . . . . 74 . . . 7122 1 787 . 1 1 74 74 LYS HB3 H 1 1.63 0.03 . 2 . . . . 74 . . . 7122 1 788 . 1 1 74 74 LYS HG2 H 1 1.32 0.03 . 2 . . . . 74 . . . 7122 1 789 . 1 1 74 74 LYS HG3 H 1 1.13 0.03 . 2 . . . . 74 . . . 7122 1 790 . 1 1 74 74 LYS HE2 H 1 2.99 0.03 . 2 . . . . 74 . . . 7122 1 791 . 1 1 74 74 LYS HE3 H 1 2.92 0.03 . 2 . . . . 74 . . . 7122 1 792 . 1 1 74 74 LYS C C 13 181.5 0.1 . 1 . . . . 74 . . . 7122 1 793 . 1 1 74 74 LYS CA C 13 55.0 0.1 . 1 . . . . 74 . . . 7122 1 794 . 1 1 74 74 LYS CB C 13 35.9 0.1 . 1 . . . . 74 . . . 7122 1 795 . 1 1 74 74 LYS CG C 13 24.6 0.1 . 1 . . . . 74 . . . 7122 1 796 . 1 1 74 74 LYS N N 15 120.6 0.1 . 1 . . . . 74 . . . 7122 1 797 . 1 1 75 75 LEU H H 1 8.86 0.03 . 1 . . . . 75 . . . 7122 1 798 . 1 1 75 75 LEU HA H 1 4.63 0.03 . 1 . . . . 75 . . . 7122 1 799 . 1 1 75 75 LEU HB2 H 1 1.77 0.03 . 2 . . . . 75 . . . 7122 1 800 . 1 1 75 75 LEU HB3 H 1 1.62 0.03 . 2 . . . . 75 . . . 7122 1 801 . 1 1 75 75 LEU HD21 H 1 0.97 0.03 . 1 . . . . 75 . . . 7122 1 802 . 1 1 75 75 LEU HD22 H 1 0.97 0.03 . 1 . . . . 75 . . . 7122 1 803 . 1 1 75 75 LEU HD23 H 1 0.97 0.03 . 1 . . . . 75 . . . 7122 1 804 . 1 1 75 75 LEU C C 13 180.0 0.1 . 1 . . . . 75 . . . 7122 1 805 . 1 1 75 75 LEU CA C 13 53.6 0.1 . 1 . . . . 75 . . . 7122 1 806 . 1 1 75 75 LEU CB C 13 43.2 0.1 . 1 . . . . 75 . . . 7122 1 807 . 1 1 75 75 LEU CG C 13 24.8 0.1 . 1 . . . . 75 . . . 7122 1 808 . 1 1 75 75 LEU CD2 C 13 24.8 0.1 . 2 . . . . 75 . . . 7122 1 809 . 1 1 75 75 LEU N N 15 126.9 0.1 . 1 . . . . 75 . . . 7122 1 810 . 1 1 76 76 GLU H H 1 9.14 0.03 . 1 . . . . 76 . . . 7122 1 811 . 1 1 76 76 GLU HA H 1 4.75 0.03 . 1 . . . . 76 . . . 7122 1 812 . 1 1 76 76 GLU HB2 H 1 2.10 0.03 . 2 . . . . 76 . . . 7122 1 813 . 1 1 76 76 GLU HB3 H 1 1.93 0.03 . 2 . . . . 76 . . . 7122 1 814 . 1 1 76 76 GLU C C 13 180.8 0.1 . 1 . . . . 76 . . . 7122 1 815 . 1 1 76 76 GLU CA C 13 55.2 0.1 . 1 . . . . 76 . . . 7122 1 816 . 1 1 76 76 GLU CB C 13 28.8 0.1 . 1 . . . . 76 . . . 7122 1 817 . 1 1 76 76 GLU N N 15 130.3 0.1 . 1 . . . . 76 . . . 7122 1 818 . 1 1 77 77 VAL H H 1 7.41 0.03 . 1 . . . . 77 . . . 7122 1 819 . 1 1 77 77 VAL HA H 1 5.02 0.03 . 1 . . . . 77 . . . 7122 1 820 . 1 1 77 77 VAL HB H 1 2.22 0.03 . 1 . . . . 77 . . . 7122 1 821 . 1 1 77 77 VAL HG11 H 1 0.71 0.03 . 1 . . . . 77 . . . 7122 1 822 . 1 1 77 77 VAL HG12 H 1 0.71 0.03 . 1 . . . . 77 . . . 7122 1 823 . 1 1 77 77 VAL HG13 H 1 0.71 0.03 . 1 . . . . 77 . . . 7122 1 824 . 1 1 77 77 VAL HG21 H 1 1.02 0.03 . 1 . . . . 77 . . . 7122 1 825 . 1 1 77 77 VAL HG22 H 1 1.02 0.03 . 1 . . . . 77 . . . 7122 1 826 . 1 1 77 77 VAL HG23 H 1 1.02 0.03 . 1 . . . . 77 . . . 7122 1 827 . 1 1 77 77 VAL CA C 13 57.6 0.1 . 1 . . . . 77 . . . 7122 1 828 . 1 1 77 77 VAL CB C 13 33.7 0.1 . 1 . . . . 77 . . . 7122 1 829 . 1 1 77 77 VAL CG1 C 13 17.9 0.1 . 1 . . . . 77 . . . 7122 1 830 . 1 1 77 77 VAL CG2 C 13 23.1 0.1 . 1 . . . . 77 . . . 7122 1 831 . 1 1 77 77 VAL N N 15 113.2 0.1 . 1 . . . . 77 . . . 7122 1 832 . 1 1 78 78 PRO HA H 1 4.65 0.03 . 1 . . . . 78 . . . 7122 1 833 . 1 1 78 78 PRO HB2 H 1 2.64 0.03 . 2 . . . . 78 . . . 7122 1 834 . 1 1 78 78 PRO HB3 H 1 2.21 0.03 . 2 . . . . 78 . . . 7122 1 835 . 1 1 78 78 PRO C C 13 179.3 0.1 . 1 . . . . 78 . . . 7122 1 836 . 1 1 78 78 PRO CA C 13 62.3 0.1 . 1 . . . . 78 . . . 7122 1 837 . 1 1 78 78 PRO CB C 13 32.7 0.1 . 1 . . . . 78 . . . 7122 1 838 . 1 1 79 79 GLU H H 1 8.67 0.03 . 1 . . . . 79 . . . 7122 1 839 . 1 1 79 79 GLU HA H 1 3.99 0.03 . 1 . . . . 79 . . . 7122 1 840 . 1 1 79 79 GLU HB2 H 1 2.22 0.03 . 2 . . . . 79 . . . 7122 1 841 . 1 1 79 79 GLU HB3 H 1 2.09 0.03 . 2 . . . . 79 . . . 7122 1 842 . 1 1 79 79 GLU HG2 H 1 2.40 0.03 . 2 . . . . 79 . . . 7122 1 843 . 1 1 79 79 GLU HG3 H 1 2.36 0.03 . 2 . . . . 79 . . . 7122 1 844 . 1 1 79 79 GLU C C 13 177.3 0.1 . 1 . . . . 79 . . . 7122 1 845 . 1 1 79 79 GLU CA C 13 60.5 0.1 . 1 . . . . 79 . . . 7122 1 846 . 1 1 79 79 GLU CB C 13 29.7 0.1 . 1 . . . . 79 . . . 7122 1 847 . 1 1 79 79 GLU CG C 13 35.9 0.1 . 1 . . . . 79 . . . 7122 1 848 . 1 1 79 79 GLU N N 15 121.2 0.1 . 1 . . . . 79 . . . 7122 1 849 . 1 1 80 80 PHE H H 1 9.19 0.03 . 1 . . . . 80 . . . 7122 1 850 . 1 1 80 80 PHE HA H 1 4.19 0.03 . 1 . . . . 80 . . . 7122 1 851 . 1 1 80 80 PHE HB2 H 1 3.39 0.03 . 2 . . . . 80 . . . 7122 1 852 . 1 1 80 80 PHE HB3 H 1 3.07 0.03 . 2 . . . . 80 . . . 7122 1 853 . 1 1 80 80 PHE HD1 H 1 7.30 0.03 . 3 . . . . 80 . . . 7122 1 854 . 1 1 80 80 PHE C C 13 179.1 0.1 . 1 . . . . 80 . . . 7122 1 855 . 1 1 80 80 PHE CA C 13 62.3 0.1 . 1 . . . . 80 . . . 7122 1 856 . 1 1 80 80 PHE CB C 13 38.4 0.1 . . . . . . 80? . . . 7122 1 857 . 1 1 80 80 PHE CD1 C 13 132.0 0.1 . 3 . . . . 80 . . . 7122 1 858 . 1 1 80 80 PHE N N 15 118.7 0.1 . 1 . . . . 80 . . . 7122 1 859 . 1 1 81 81 THR H H 1 6.94 0.03 . 1 . . . . 81 . . . 7122 1 860 . 1 1 81 81 THR HA H 1 4.13 0.03 . 1 . . . . 81 . . . 7122 1 861 . 1 1 81 81 THR HB H 1 3.52 0.03 . 1 . . . . 81 . . . 7122 1 862 . 1 1 81 81 THR HG21 H 1 1.22 0.03 . 1 . . . . 81 . . . 7122 1 863 . 1 1 81 81 THR HG22 H 1 1.22 0.03 . 1 . . . . 81 . . . 7122 1 864 . 1 1 81 81 THR HG23 H 1 1.22 0.03 . 1 . . . . 81 . . . 7122 1 865 . 1 1 81 81 THR C C 13 180.1 0.1 . 1 . . . . 81 . . . 7122 1 866 . 1 1 81 81 THR CA C 13 66.8 0.1 . 1 . . . . 81 . . . 7122 1 867 . 1 1 81 81 THR CB C 13 68.5 0.1 . 1 . . . . 81 . . . 7122 1 868 . 1 1 81 81 THR CG2 C 13 20.9 0.1 . 1 . . . . 81 . . . 7122 1 869 . 1 1 81 81 THR N N 15 113.9 0.1 . 1 . . . . 81 . . . 7122 1 870 . 1 1 82 82 LYS H H 1 8.30 0.03 . 1 . . . . 82 . . . 7122 1 871 . 1 1 82 82 LYS HA H 1 3.54 0.03 . 1 . . . . 82 . . . 7122 1 872 . 1 1 82 82 LYS HB2 H 1 2.06 0.03 . 2 . . . . 82 . . . 7122 1 873 . 1 1 82 82 LYS HB3 H 1 1.72 0.03 . 2 . . . . 82 . . . 7122 1 874 . 1 1 82 82 LYS HD2 H 1 1.36 0.03 . 2 . . . . 82 . . . 7122 1 875 . 1 1 82 82 LYS HE2 H 1 3.07 0.03 . 2 . . . . 82 . . . 7122 1 876 . 1 1 82 82 LYS C C 13 178.6 0.1 . 1 . . . . 82 . . . 7122 1 877 . 1 1 82 82 LYS CD C 13 25.2 0.1 . 1 . . . . 82 . . . 7122 1 878 . 1 1 82 82 LYS CE C 13 42.1 0.1 . 1 . . . . 82 . . . 7122 1 879 . 1 1 82 82 LYS N N 15 122.4 0.1 . 1 . . . . 82 . . . 7122 1 880 . 1 1 83 83 LYS H H 1 7.76 0.03 . 1 . . . . 83 . . . 7122 1 881 . 1 1 83 83 LYS HA H 1 3.99 0.03 . 1 . . . . 83 . . . 7122 1 882 . 1 1 83 83 LYS HB2 H 1 1.92 0.03 . 2 . . . . 83 . . . 7122 1 883 . 1 1 83 83 LYS HB3 H 1 1.70 0.03 . 2 . . . . 83 . . . 7122 1 884 . 1 1 83 83 LYS HE2 H 1 3.01 0.03 . 2 . . . . 83 . . . 7122 1 885 . 1 1 83 83 LYS C C 13 175.9 0.1 . 1 . . . . 83 . . . 7122 1 886 . 1 1 83 83 LYS CA C 13 59.4 0.1 . 1 . . . . 83 . . . 7122 1 887 . 1 1 83 83 LYS CB C 13 32.0 0.1 . 1 . . . . 83 . . . 7122 1 888 . 1 1 83 83 LYS CE C 13 42.0 0.1 . 1 . . . . 83 . . . 7122 1 889 . 1 1 83 83 LYS N N 15 117.2 0.1 . 1 . . . . 83 . . . 7122 1 890 . 1 1 84 84 VAL H H 1 7.30 0.03 . 1 . . . . 84 . . . 7122 1 891 . 1 1 84 84 VAL HA H 1 3.30 0.03 . 1 . . . . 84 . . . 7122 1 892 . 1 1 84 84 VAL HB H 1 2.01 0.03 . 1 . . . . 84 . . . 7122 1 893 . 1 1 84 84 VAL HG11 H 1 0.83 0.03 . 1 . . . . 84 . . . 7122 1 894 . 1 1 84 84 VAL HG12 H 1 0.83 0.03 . 1 . . . . 84 . . . 7122 1 895 . 1 1 84 84 VAL HG13 H 1 0.83 0.03 . 1 . . . . 84 . . . 7122 1 896 . 1 1 84 84 VAL HG21 H 1 0.41 0.03 . 1 . . . . 84 . . . 7122 1 897 . 1 1 84 84 VAL HG22 H 1 0.41 0.03 . 1 . . . . 84 . . . 7122 1 898 . 1 1 84 84 VAL HG23 H 1 0.41 0.03 . 1 . . . . 84 . . . 7122 1 899 . 1 1 84 84 VAL C C 13 177.6 0.1 . 1 . . . . 84 . . . 7122 1 900 . 1 1 84 84 VAL CA C 13 66.4 0.1 . 1 . . . . 84 . . . 7122 1 901 . 1 1 84 84 VAL CB C 13 31.8 0.1 . 1 . . . . 84 . . . 7122 1 902 . 1 1 84 84 VAL CG1 C 13 23.1 0.1 . 1 . . . . 84 . . . 7122 1 903 . 1 1 84 84 VAL CG2 C 13 21.7 0.1 . 1 . . . . 84 . . . 7122 1 904 . 1 1 84 84 VAL N N 15 117.2 0.1 . 1 . . . . 84 . . . 7122 1 905 . 1 1 85 85 LEU H H 1 8.56 0.03 . 1 . . . . 85 . . . 7122 1 906 . 1 1 85 85 LEU HA H 1 3.85 0.03 . 1 . . . . 85 . . . 7122 1 907 . 1 1 85 85 LEU HB2 H 1 1.85 0.03 . 2 . . . . 85 . . . 7122 1 908 . 1 1 85 85 LEU HB3 H 1 1.40 0.03 . 2 . . . . 85 . . . 7122 1 909 . 1 1 85 85 LEU HG H 1 0.88 0.03 . 1 . . . . 85 . . . 7122 1 910 . 1 1 85 85 LEU HD11 H 1 0.68 0.03 . 1 . . . . 85 . . . 7122 1 911 . 1 1 85 85 LEU HD12 H 1 0.68 0.03 . 1 . . . . 85 . . . 7122 1 912 . 1 1 85 85 LEU HD13 H 1 0.68 0.03 . 1 . . . . 85 . . . 7122 1 913 . 1 1 85 85 LEU C C 13 177.4 0.1 . 1 . . . . 85 . . . 7122 1 914 . 1 1 85 85 LEU CA C 13 57.6 0.1 . 1 . . . . 85 . . . 7122 1 915 . 1 1 85 85 LEU CB C 13 39.5 0.1 . 1 . . . . 85 . . . 7122 1 916 . 1 1 85 85 LEU CG C 13 26.9 0.1 . 1 . . . . 85 . . . 7122 1 917 . 1 1 85 85 LEU CD1 C 13 20.6 0.1 . 1 . . . . 85 . . . 7122 1 918 . 1 1 85 85 LEU N N 15 118.1 0.1 . 1 . . . . 85 . . . 7122 1 919 . 1 1 86 86 ASP H H 1 8.63 0.03 . 1 . . . . 86 . . . 7122 1 920 . 1 1 86 86 ASP HA H 1 4.39 0.03 . 1 . . . . 86 . . . 7122 1 921 . 1 1 86 86 ASP HB2 H 1 2.76 0.03 . 2 . . . . 86 . . . 7122 1 922 . 1 1 86 86 ASP HB3 H 1 2.56 0.03 . 2 . . . . 86 . . . 7122 1 923 . 1 1 86 86 ASP C C 13 177.3 0.1 . 1 . . . . 86 . . . 7122 1 924 . 1 1 86 86 ASP CA C 13 57.0 0.1 . 1 . . . . 86 . . . 7122 1 925 . 1 1 86 86 ASP CB C 13 40.1 0.1 . 1 . . . . 86 . . . 7122 1 926 . 1 1 86 86 ASP N N 15 120.1 0.1 . 1 . . . . 86 . . . 7122 1 927 . 1 1 87 87 ILE H H 1 7.05 0.03 . 1 . . . . 87 . . . 7122 1 928 . 1 1 87 87 ILE HA H 1 3.92 0.03 . 1 . . . . 87 . . . 7122 1 929 . 1 1 87 87 ILE HB H 1 2.00 0.03 . 1 . . . . 87 . . . 7122 1 930 . 1 1 87 87 ILE HG12 H 1 1.72 0.03 . 2 . . . . 87 . . . 7122 1 931 . 1 1 87 87 ILE HG13 H 1 1.18 0.03 . 2 . . . . 87 . . . 7122 1 932 . 1 1 87 87 ILE HG21 H 1 0.78 0.03 . 1 . . . . 87 . . . 7122 1 933 . 1 1 87 87 ILE HG22 H 1 0.78 0.03 . 1 . . . . 87 . . . 7122 1 934 . 1 1 87 87 ILE HG23 H 1 0.78 0.03 . 1 . . . . 87 . . . 7122 1 935 . 1 1 87 87 ILE HD11 H 1 0.85 0.03 . 1 . . . . 87 . . . 7122 1 936 . 1 1 87 87 ILE HD12 H 1 0.85 0.03 . 1 . . . . 87 . . . 7122 1 937 . 1 1 87 87 ILE HD13 H 1 0.85 0.03 . 1 . . . . 87 . . . 7122 1 938 . 1 1 87 87 ILE CA C 13 63.7 0.1 . 1 . . . . 87 . . . 7122 1 939 . 1 1 87 87 ILE CB C 13 37.6 0.1 . 1 . . . . 87 . . . 7122 1 940 . 1 1 87 87 ILE CG1 C 13 28.8 0.1 . 1 . . . . 87 . . . 7122 1 941 . 1 1 87 87 ILE CG2 C 13 17.0 0.1 . 1 . . . . 87 . . . 7122 1 942 . 1 1 87 87 ILE CD1 C 13 13.6 0.1 . 1 . . . . 87 . . . 7122 1 943 . 1 1 87 87 ILE N N 15 119.5 0.1 . 1 . . . . 87 . . . 7122 1 944 . 1 1 88 88 VAL H H 1 7.71 0.03 . 1 . . . . 88 . . . 7122 1 945 . 1 1 88 88 VAL HA H 1 3.30 0.03 . 1 . . . . 88 . . . 7122 1 946 . 1 1 88 88 VAL HB H 1 1.97 0.03 . 1 . . . . 88 . . . 7122 1 947 . 1 1 88 88 VAL HG11 H 1 0.53 0.03 . 2 . . . . 88 . . . 7122 1 948 . 1 1 88 88 VAL HG12 H 1 0.53 0.03 . 2 . . . . 88 . . . 7122 1 949 . 1 1 88 88 VAL HG13 H 1 0.53 0.03 . 2 . . . . 88 . . . 7122 1 950 . 1 1 88 88 VAL HG21 H 1 0.90 0.03 . 2 . . . . 88 . . . 7122 1 951 . 1 1 88 88 VAL HG22 H 1 0.90 0.03 . 2 . . . . 88 . . . 7122 1 952 . 1 1 88 88 VAL HG23 H 1 0.90 0.03 . 2 . . . . 88 . . . 7122 1 953 . 1 1 88 88 VAL C C 13 179.0 0.1 . 1 . . . . 88 . . . 7122 1 954 . 1 1 88 88 VAL CA C 13 65.4 0.1 . 1 . . . . 88 . . . 7122 1 955 . 1 1 88 88 VAL CB C 13 30.8 0.1 . 1 . . . . 88 . . . 7122 1 956 . 1 1 88 88 VAL CG1 C 13 21.9 0.1 . 1 . . . . 88 . . . 7122 1 957 . 1 1 88 88 VAL CG2 C 13 23.6 0.1 . 1 . . . . 88 . . . 7122 1 958 . 1 1 88 88 VAL N N 15 121.1 0.1 . 1 . . . . 88 . . . 7122 1 959 . 1 1 89 89 LYS H H 1 7.88 0.03 . 1 . . . . 89 . . . 7122 1 960 . 1 1 89 89 LYS HA H 1 3.83 0.03 . 1 . . . . 89 . . . 7122 1 961 . 1 1 89 89 LYS HB2 H 1 1.82 0.03 . 2 . . . . 89 . . . 7122 1 962 . 1 1 89 89 LYS HE2 H 1 3.06 0.03 . 2 . . . . 89 . . . 7122 1 963 . 1 1 89 89 LYS C C 13 180.9 0.1 . 1 . . . . 89 . . . 7122 1 964 . 1 1 89 89 LYS CA C 13 58.7 0.1 . 1 . . . . 89 . . . 7122 1 965 . 1 1 89 89 LYS CB C 13 32.83 0.1 . 1 . . . . 89 . . . 7122 1 966 . 1 1 90 90 ASP H H 1 6.92 0.03 . 1 . . . . 90 . . . 7122 1 967 . 1 1 90 90 ASP HA H 1 4.75 0.03 . 1 . . . . 90 . . . 7122 1 968 . 1 1 90 90 ASP HB2 H 1 2.90 0.03 . 2 . . . . 90 . . . 7122 1 969 . 1 1 90 90 ASP HB3 H 1 2.59 0.03 . 2 . . . . 90 . . . 7122 1 970 . 1 1 90 90 ASP CA C 13 54.1 0.1 . 1 . . . . 90 . . . 7122 1 971 . 1 1 90 90 ASP CB C 13 41.4 0.1 . 1 . . . . 90 . . . 7122 1 972 . 1 1 90 90 ASP N N 15 115.1 0.1 . 1 . . . . 90 . . . 7122 1 973 . 1 1 91 91 ILE H H 1 7.85 0.03 . 1 . . . . 91 . . . 7122 1 974 . 1 1 91 91 ILE HA H 1 3.79 0.03 . 1 . . . . 91 . . . 7122 1 975 . 1 1 91 91 ILE HB H 1 1.67 0.03 . 1 . . . . 91 . . . 7122 1 976 . 1 1 91 91 ILE HG21 H 1 0.76 0.03 . 1 . . . . 91 . . . 7122 1 977 . 1 1 91 91 ILE HG22 H 1 0.76 0.03 . 1 . . . . 91 . . . 7122 1 978 . 1 1 91 91 ILE HG23 H 1 0.76 0.03 . 1 . . . . 91 . . . 7122 1 979 . 1 1 91 91 ILE HD11 H 1 0.67 0.03 . 1 . . . . 91 . . . 7122 1 980 . 1 1 91 91 ILE HD12 H 1 0.67 0.03 . 1 . . . . 91 . . . 7122 1 981 . 1 1 91 91 ILE HD13 H 1 0.67 0.03 . 1 . . . . 91 . . . 7122 1 982 . 1 1 91 91 ILE CA C 13 63.0 0.1 . 1 . . . . 91 . . . 7122 1 983 . 1 1 91 91 ILE CB C 13 37.5 0.1 . 1 . . . . 91 . . . 7122 1 984 . 1 1 91 91 ILE CG2 C 13 18.0 0.1 . 1 . . . . 91 . . . 7122 1 985 . 1 1 91 91 ILE CD1 C 13 16.2 0.1 . 1 . . . . 91 . . . 7122 1 986 . 1 1 91 91 ILE N N 15 123.5 0.1 . 1 . . . . 91 . . . 7122 1 987 . 1 1 92 92 GLU H H 1 8.77 0.03 . 1 . . . . 92 . . . 7122 1 988 . 1 1 92 92 GLU HA H 1 3.99 0.03 . 1 . . . . 92 . . . 7122 1 989 . 1 1 92 92 GLU HB2 H 1 1.90 0.03 . 2 . . . . 92 . . . 7122 1 990 . 1 1 92 92 GLU HB3 H 1 1.89 0.03 . 2 . . . . 92 . . . 7122 1 991 . 1 1 92 92 GLU HG2 H 1 2.43 0.03 . 2 . . . . 92 . . . 7122 1 992 . 1 1 92 92 GLU C C 13 181.3 0.1 . 1 . . . . 92 . . . 7122 1 993 . 1 1 92 92 GLU CA C 13 57.2 0.1 . 1 . . . . 92 . . . 7122 1 994 . 1 1 92 92 GLU CB C 13 30.9 0.1 . 1 . . . . 92 . . . 7122 1 995 . 1 1 92 92 GLU CG C 13 36.7 0.1 . 1 . . . . 92 . . . 7122 1 996 . 1 1 92 92 GLU N N 15 112.1 0.1 . 1 . . . . 92 . . . 7122 1 997 . 1 1 93 93 PHE H H 1 8.57 0.03 . 1 . . . . 93 . . . 7122 1 998 . 1 1 93 93 PHE HA H 1 3.85 0.03 . 1 . . . . 93 . . . 7122 1 999 . 1 1 93 93 PHE HB2 H 1 3.20 0.03 . 2 . . . . 93 . . . 7122 1 1000 . 1 1 93 93 PHE HB3 H 1 3.05 0.03 . 2 . . . . 93 . . . 7122 1 1001 . 1 1 93 93 PHE HD1 H 1 7.41 0.03 . 3 . . . . 93 . . . 7122 1 1002 . 1 1 93 93 PHE HE1 H 1 7.41 0.03 . 3 . . . . 93 . . . 7122 1 1003 . 1 1 93 93 PHE C C 13 179.2 0.1 . 1 . . . . 93 . . . 7122 1 1004 . 1 1 93 93 PHE CA C 13 59.0 0.1 . 1 . . . . 93 . . . 7122 1 1005 . 1 1 93 93 PHE CD1 C 13 132.0 0.1 . 3 . . . . 93 . . . 7122 1 1006 . 1 1 93 93 PHE CE1 C 13 132.7 0.1 . 3 . . . . 93 . . . 7122 1 1007 . 1 1 93 93 PHE N N 15 122.5 0.1 . 1 . . . . 93 . . . 7122 1 1008 . 1 1 94 94 GLY H H 1 7.58 0.03 . 1 . . . . 94 . . . 7122 1 1009 . 1 1 94 94 GLY HA2 H 1 4.42 0.03 . 2 . . . . 94 . . . 7122 1 1010 . 1 1 94 94 GLY HA3 H 1 3.33 0.03 . 2 . . . . 94 . . . 7122 1 1011 . 1 1 94 94 GLY C C 13 182.4 0.1 . 1 . . . . 94 . . . 7122 1 1012 . 1 1 94 94 GLY CA C 13 45.7 0.1 . 1 . . . . 94 . . . 7122 1 1013 . 1 1 94 94 GLY N N 15 115.1 0.1 . 1 . . . . 94 . . . 7122 1 1014 . 1 1 95 95 LYS H H 1 8.31 0.03 . 1 . . . . 95 . . . 7122 1 1015 . 1 1 95 95 LYS HA H 1 4.75 0.03 . 1 . . . . 95 . . . 7122 1 1016 . 1 1 95 95 LYS HB2 H 1 1.97 0.03 . 2 . . . . 95 . . . 7122 1 1017 . 1 1 95 95 LYS HE2 H 1 3.01 0.03 . 2 . . . . 95 . . . 7122 1 1018 . 1 1 95 95 LYS C C 13 180.7 0.1 . 1 . . . . 95 . . . 7122 1 1019 . 1 1 95 95 LYS CA C 13 53.7 0.1 . 1 . . . . 95 . . . 7122 1 1020 . 1 1 95 95 LYS CB C 13 33.9 0.1 . 1 . . . . 95 . . . 7122 1 1021 . 1 1 95 95 LYS N N 15 120.0 0.1 . 1 . . . . 95 . . . 7122 1 1022 . 1 1 96 96 THR H H 1 7.38 0.03 . 1 . . . . 96 . . . 7122 1 1023 . 1 1 96 96 THR HA H 1 5.37 0.03 . 1 . . . . 96 . . . 7122 1 1024 . 1 1 96 96 THR HB H 1 4.22 0.03 . 1 . . . . 96 . . . 7122 1 1025 . 1 1 96 96 THR HG21 H 1 0.96 0.03 . 1 . . . . 96 . . . 7122 1 1026 . 1 1 96 96 THR HG22 H 1 0.96 0.03 . 1 . . . . 96 . . . 7122 1 1027 . 1 1 96 96 THR HG23 H 1 0.96 0.03 . 1 . . . . 96 . . . 7122 1 1028 . 1 1 96 96 THR CA C 13 59.0 0.1 . . . . . . 96? . . . 7122 1 1029 . 1 1 96 96 THR CB C 13 64.6 0.1 . 1 . . . . 96 . . . 7122 1 1030 . 1 1 96 96 THR CG2 C 13 21.2 0.1 . 1 . . . . 96 . . . 7122 1 1031 . 1 1 96 96 THR N N 15 104.7 0.1 . 1 . . . . 96 . . . 7122 1 1032 . 1 1 97 97 LEU H H 1 8.58 0.03 . 1 . . . . 97 . . . 7122 1 1033 . 1 1 97 97 LEU HA H 1 4.76 0.03 . 1 . . . . 97 . . . 7122 1 1034 . 1 1 97 97 LEU HB2 H 1 1.68 0.03 . 2 . . . . 97 . . . 7122 1 1035 . 1 1 97 97 LEU HB3 H 1 1.41 0.03 . 2 . . . . 97 . . . 7122 1 1036 . 1 1 97 97 LEU HD11 H 1 0.80 0.03 . 2 . . . . 97 . . . 7122 1 1037 . 1 1 97 97 LEU HD12 H 1 0.80 0.03 . 2 . . . . 97 . . . 7122 1 1038 . 1 1 97 97 LEU HD13 H 1 0.80 0.03 . 2 . . . . 97 . . . 7122 1 1039 . 1 1 97 97 LEU HD21 H 1 0.97 0.03 . 2 . . . . 97 . . . 7122 1 1040 . 1 1 97 97 LEU HD22 H 1 0.97 0.03 . 2 . . . . 97 . . . 7122 1 1041 . 1 1 97 97 LEU HD23 H 1 0.97 0.03 . 2 . . . . 97 . . . 7122 1 1042 . 1 1 97 97 LEU C C 13 179.9 0.1 . 1 . . . . 97 . . . 7122 1 1043 . 1 1 97 97 LEU CA C 13 53.6 0.1 . 1 . . . . 97 . . . 7122 1 1044 . 1 1 97 97 LEU CB C 13 47.9 0.1 . 1 . . . . 97 . . . 7122 1 1045 . 1 1 97 97 LEU CD1 C 13 24.7 0.1 . 2 . . . . 97 . . . 7122 1 1046 . 1 1 97 97 LEU CD2 C 13 23.5 0.1 . 2 . . . . 97 . . . 7122 1 1047 . 1 1 97 97 LEU N N 15 119.6 0.1 . 1 . . . . 97 . . . 7122 1 1048 . 1 1 98 98 THR H H 1 8.56 0.03 . 1 . . . . 98 . . . 7122 1 1049 . 1 1 98 98 THR HA H 1 5.82 0.03 . 1 . . . . 98 . . . 7122 1 1050 . 1 1 98 98 THR HB H 1 4.90 0.03 . 1 . . . . 98 . . . 7122 1 1051 . 1 1 98 98 THR HG21 H 1 1.00 0.03 . 1 . . . . 98 . . . 7122 1 1052 . 1 1 98 98 THR HG22 H 1 1.00 0.03 . 1 . . . . 98 . . . 7122 1 1053 . 1 1 98 98 THR HG23 H 1 1.00 0.03 . 1 . . . . 98 . . . 7122 1 1054 . 1 1 98 98 THR C C 13 177.7 0.1 . 1 . . . . 98 . . . 7122 1 1055 . 1 1 98 98 THR CA C 13 59.0 0.1 . 1 . . . . 98 . . . 7122 1 1056 . 1 1 98 98 THR CB C 13 72.5 0.1 . 1 . . . . 98 . . . 7122 1 1057 . 1 1 98 98 THR CG2 C 13 21.4 0.1 . 1 . . . . 98 . . . 7122 1 1058 . 1 1 98 98 THR N N 15 108.6 0.1 . 1 . . . . 98 . . . 7122 1 1059 . 1 1 99 99 TYR H H 1 7.84 0.03 . 1 . . . . 99 . . . 7122 1 1060 . 1 1 99 99 TYR HA H 1 3.87 0.03 . 1 . . . . 99 . . . 7122 1 1061 . 1 1 99 99 TYR HB2 H 1 3.32 0.03 . 2 . . . . 99 . . . 7122 1 1062 . 1 1 99 99 TYR HB3 H 1 3.04 0.03 . 2 . . . . 99 . . . 7122 1 1063 . 1 1 99 99 TYR HD1 H 1 7.06 0.03 . 3 . . . . 99 . . . 7122 1 1064 . 1 1 99 99 TYR HE1 H 1 6.91 0.03 . 3 . . . . 99 . . . 7122 1 1065 . 1 1 99 99 TYR C C 13 176.4 0.1 . 1 . . . . 99 . . . 7122 1 1066 . 1 1 99 99 TYR CA C 13 61.9 0.1 . 1 . . . . 99 . . . 7122 1 1067 . 1 1 99 99 TYR CB C 13 37.9 0.1 . 1 . . . . 99 . . . 7122 1 1068 . 1 1 99 99 TYR CD1 C 13 133.4 0.3 . 3 . . . . 99 . . . 7122 1 1069 . 1 1 99 99 TYR CE1 C 13 118.2 0.3 . 3 . . . . 99 . . . 7122 1 1070 . 1 1 99 99 TYR N N 15 117.6 0.1 . 1 . . . . 99 . . . 7122 1 1071 . 1 1 100 100 GLY H H 1 8.79 0.03 . 1 . . . . 100 . . . 7122 1 1072 . 1 1 100 100 GLY HA2 H 1 4.12 0.03 . 2 . . . . 100 . . . 7122 1 1073 . 1 1 100 100 GLY HA3 H 1 3.81 0.03 . 2 . . . . 100 . . . 7122 1 1074 . 1 1 100 100 GLY C C 13 179.8 0.1 . 1 . . . . 100 . . . 7122 1 1075 . 1 1 100 100 GLY CA C 13 46.7 0.1 . 1 . . . . 100 . . . 7122 1 1076 . 1 1 100 100 GLY N N 15 105.9 0.1 . 1 . . . . 100 . . . 7122 1 1077 . 1 1 101 101 ASP H H 1 8.16 0.03 . 1 . . . . 101 . . . 7122 1 1078 . 1 1 101 101 ASP HA H 1 4.45 0.03 . 1 . . . . 101 . . . 7122 1 1079 . 1 1 101 101 ASP HB2 H 1 3.06 0.03 . 2 . . . . 101 . . . 7122 1 1080 . 1 1 101 101 ASP HB3 H 1 2.68 0.03 . 2 . . . . 101 . . . 7122 1 1081 . 1 1 101 101 ASP C C 13 176.3 0.1 . 1 . . . . 101 . . . 7122 1 1082 . 1 1 101 101 ASP CA C 13 57.6 0.1 . 1 . . . . 101 . . . 7122 1 1083 . 1 1 101 101 ASP CB C 13 41.3 0.1 . 1 . . . . 101 . . . 7122 1 1084 . 1 1 101 101 ASP N N 15 123.3 0.1 . 1 . . . . 101 . . . 7122 1 1085 . 1 1 102 102 ILE H H 1 7.53 0.03 . 1 . . . . 102 . . . 7122 1 1086 . 1 1 102 102 ILE HA H 1 3.55 0.03 . 1 . . . . 102 . . . 7122 1 1087 . 1 1 102 102 ILE HB H 1 1.98 0.03 . 1 . . . . 102 . . . 7122 1 1088 . 1 1 102 102 ILE HG12 H 1 1.89 0.03 . 2 . . . . 102 . . . 7122 1 1089 . 1 1 102 102 ILE HG13 H 1 0.86 0.03 . 2 . . . . 102 . . . 7122 1 1090 . 1 1 102 102 ILE HG21 H 1 0.91 0.03 . 1 . . . . 102 . . . 7122 1 1091 . 1 1 102 102 ILE HG22 H 1 0.91 0.03 . 1 . . . . 102 . . . 7122 1 1092 . 1 1 102 102 ILE HG23 H 1 0.91 0.03 . 1 . . . . 102 . . . 7122 1 1093 . 1 1 102 102 ILE HD11 H 1 0.71 0.03 . 1 . . . . 102 . . . 7122 1 1094 . 1 1 102 102 ILE HD12 H 1 0.71 0.03 . 1 . . . . 102 . . . 7122 1 1095 . 1 1 102 102 ILE HD13 H 1 0.71 0.03 . 1 . . . . 102 . . . 7122 1 1096 . 1 1 102 102 ILE C C 13 178.8 0.1 . 1 . . . . 102 . . . 7122 1 1097 . 1 1 102 102 ILE CA C 13 65.5 0.1 . 1 . . . . 102 . . . 7122 1 1098 . 1 1 102 102 ILE CB C 13 37.4 0.1 . 1 . . . . 102 . . . 7122 1 1099 . 1 1 102 102 ILE CG1 C 13 28.7 0.1 . 1 . . . . 102 . . . 7122 1 1100 . 1 1 102 102 ILE CG2 C 13 17.9 0.1 . 1 . . . . 102 . . . 7122 1 1101 . 1 1 102 102 ILE CD1 C 13 14.2 0.1 . 1 . . . . 102 . . . 7122 1 1102 . 1 1 102 102 ILE N N 15 119.2 0.1 . 1 . . . . 102 . . . 7122 1 1103 . 1 1 103 103 ALA H H 1 8.76 0.03 . 1 . . . . 103 . . . 7122 1 1104 . 1 1 103 103 ALA HA H 1 3.71 0.03 . 1 . . . . 103 . . . 7122 1 1105 . 1 1 103 103 ALA HB1 H 1 1.41 0.03 . 1 . . . . 103 . . . 7122 1 1106 . 1 1 103 103 ALA HB2 H 1 1.41 0.03 . 1 . . . . 103 . . . 7122 1 1107 . 1 1 103 103 ALA HB3 H 1 1.41 0.03 . 1 . . . . 103 . . . 7122 1 1108 . 1 1 103 103 ALA C C 13 176.1 0.1 . 1 . . . . 103 . . . 7122 1 1109 . 1 1 103 103 ALA CA C 13 54.7 0.1 . 1 . . . . 103 . . . 7122 1 1110 . 1 1 103 103 ALA CB C 13 17.5 0.1 . 1 . . . . 103 . . . 7122 1 1111 . 1 1 103 103 ALA N N 15 121.8 0.1 . 1 . . . . 103 . . . 7122 1 1112 . 1 1 104 104 LYS H H 1 7.96 0.03 . 1 . . . . 104 . . . 7122 1 1113 . 1 1 104 104 LYS HA H 1 4.24 0.03 . 1 . . . . 104 . . . 7122 1 1114 . 1 1 104 104 LYS HB2 H 1 1.98 0.03 . 2 . . . . 104 . . . 7122 1 1115 . 1 1 104 104 LYS C C 13 175.9 0.1 . 1 . . . . 104 . . . 7122 1 1116 . 1 1 104 104 LYS CA C 13 58.9 0.1 . 1 . . . . 104 . . . 7122 1 1117 . 1 1 104 104 LYS CB C 13 32.2 0.1 . 1 . . . . 104 . . . 7122 1 1118 . 1 1 104 104 LYS N N 15 116.4 0.1 . 1 . . . . 104 . . . 7122 1 1119 . 1 1 105 105 LYS H H 1 7.35 0.03 . 1 . . . . 105 . . . 7122 1 1120 . 1 1 105 105 LYS HA H 1 4.12 0.03 . 1 . . . . 105 . . . 7122 1 1121 . 1 1 105 105 LYS HB2 H 1 1.98 0.03 . 2 . . . . 105 . . . 7122 1 1122 . 1 1 105 105 LYS C C 13 177.8 0.1 . 1 . . . . 105 . . . 7122 1 1123 . 1 1 105 105 LYS CA C 13 58.8 0.1 . 1 . . . . 105 . . . 7122 1 1124 . 1 1 105 105 LYS CB C 13 32.5 0.1 . 1 . . . . 105 . . . 7122 1 1125 . 1 1 105 105 LYS N N 15 119.01 0.1 . 1 . . . . 105 . . . 7122 1 1126 . 1 1 106 106 LEU H H 1 7.50 0.03 . 1 . . . . 106 . . . 7122 1 1127 . 1 1 106 106 LEU HA H 1 4.48 0.03 . 1 . . . . 106 . . . 7122 1 1128 . 1 1 106 106 LEU HB2 H 1 1.80 0.03 . 2 . . . . 106 . . . 7122 1 1129 . 1 1 106 106 LEU HB3 H 1 1.57 0.03 . 2 . . . . 106 . . . 7122 1 1130 . 1 1 106 106 LEU HG H 1 1.55 0.03 . 1 . . . . 106 . . . 7122 1 1131 . 1 1 106 106 LEU HD11 H 1 0.79 0.03 . 1 . . . . 106 . . . 7122 1 1132 . 1 1 106 106 LEU HD12 H 1 0.79 0.03 . 1 . . . . 106 . . . 7122 1 1133 . 1 1 106 106 LEU HD13 H 1 0.79 0.03 . 1 . . . . 106 . . . 7122 1 1134 . 1 1 106 106 LEU HD21 H 1 0.60 0.03 . 1 . . . . 106 . . . 7122 1 1135 . 1 1 106 106 LEU HD22 H 1 0.60 0.03 . 1 . . . . 106 . . . 7122 1 1136 . 1 1 106 106 LEU HD23 H 1 0.60 0.03 . 1 . . . . 106 . . . 7122 1 1137 . 1 1 106 106 LEU C C 13 180.1 0.1 . 1 . . . . 106 . . . 7122 1 1138 . 1 1 106 106 LEU CA C 13 53.6 0.1 . 1 . . . . 106 . . . 7122 1 1139 . 1 1 106 106 LEU CB C 13 43.0 0.1 . 1 . . . . 106 . . . 7122 1 1140 . 1 1 106 106 LEU CG C 13 26.1 0.1 . 1 . . . . 106 . . . 7122 1 1141 . 1 1 106 106 LEU CD1 C 13 27.2 0.1 . 1 . . . . 106 . . . 7122 1 1142 . 1 1 106 106 LEU CD2 C 13 22.6 0.1 . 1 . . . . 106 . . . 7122 1 1143 . 1 1 106 106 LEU N N 15 114.7 0.1 . 1 . . . . 106 . . . 7122 1 1144 . 1 1 107 107 ASN H H 1 7.84 0.03 . 1 . . . . 107 . . . 7122 1 1145 . 1 1 107 107 ASN HA H 1 4.47 0.03 . 1 . . . . 107 . . . 7122 1 1146 . 1 1 107 107 ASN HB2 H 1 3.19 0.03 . 2 . . . . 107 . . . 7122 1 1147 . 1 1 107 107 ASN HB3 H 1 2.77 0.03 . 2 . . . . 107 . . . 7122 1 1148 . 1 1 107 107 ASN C C 13 181.9 0.1 . 1 . . . . 107 . . . 7122 1 1149 . 1 1 107 107 ASN CA C 13 53.6 0.1 . 1 . . . . 107 . . . 7122 1 1150 . 1 1 107 107 ASN CB C 13 45.6 0.1 . 1 . . . . 107 . . . 7122 1 1151 . 1 1 107 107 ASN N N 15 117.8 0.1 . 1 . . . . 107 . . . 7122 1 1152 . 1 1 108 108 THR H H 1 8.31 0.03 . 1 . . . . 108 . . . 7122 1 1153 . 1 1 108 108 THR HA H 1 4.88 0.03 . 1 . . . . 108 . . . 7122 1 1154 . 1 1 108 108 THR HB H 1 3.99 0.03 . 1 . . . . 108 . . . 7122 1 1155 . 1 1 108 108 THR HG21 H 1 1.34 0.03 . 1 . . . . 108 . . . 7122 1 1156 . 1 1 108 108 THR HG22 H 1 1.34 0.03 . 1 . . . . 108 . . . 7122 1 1157 . 1 1 108 108 THR HG23 H 1 1.34 0.03 . 1 . . . . 108 . . . 7122 1 1158 . 1 1 108 108 THR CA C 13 58.7 0.1 . 1 . . . . 108 . . . 7122 1 1159 . 1 1 108 108 THR CB C 13 69.1 0.1 . 1 . . . . 108 . . . 7122 1 1160 . 1 1 108 108 THR CG2 C 13 19.5 0.1 . 1 . . . . 108 . . . 7122 1 1161 . 1 1 108 108 THR N N 15 113.5 0.1 . 1 . . . . 108 . . . 7122 1 1162 . 1 1 109 109 SER H H 1 8.74 0.03 . 1 . . . . 109 . . . 7122 1 1163 . 1 1 109 109 SER HA H 1 5.21 0.03 . 1 . . . . 109 . . . 7122 1 1164 . 1 1 109 109 SER HB2 H 1 3.94 0.03 . 2 . . . . 109 . . . 7122 1 1165 . 1 1 109 109 SER HB3 H 1 3.95 0.03 . 2 . . . . 109 . . . 7122 1 1166 . 1 1 109 109 SER CA C 13 54.7 0.1 . 1 . . . . 109 . . . 7122 1 1167 . 1 1 109 109 SER CB C 13 64.8 0.1 . 1 . . . . 109 . . . 7122 1 1168 . 1 1 109 109 SER N N 15 116.5 0.1 . 1 . . . . 109 . . . 7122 1 1169 . 1 1 110 110 PRO HA H 1 4.07 0.03 . 1 . . . . 110 . . . 7122 1 1170 . 1 1 110 110 PRO HB2 H 1 2.14 0.03 . 2 . . . . 110 . . . 7122 1 1171 . 1 1 110 110 PRO C C 13 177.0 0.1 . 1 . . . . 110 . . . 7122 1 1172 . 1 1 110 110 PRO CA C 13 65.9 0.1 . 1 . . . . 110 . . . 7122 1 1173 . 1 1 110 110 PRO CB C 13 31.7 0.1 . 1 . . . . 110 . . . 7122 1 1174 . 1 1 111 111 ARG H H 1 7.97 0.03 . 1 . . . . 111 . . . 7122 1 1175 . 1 1 111 111 ARG HA H 1 3.98 0.03 . 1 . . . . 111 . . . 7122 1 1176 . 1 1 111 111 ARG HB2 H 1 1.92 0.03 . 2 . . . . 111 . . . 7122 1 1177 . 1 1 111 111 ARG HB3 H 1 1.73 0.03 . 2 . . . . 111 . . . 7122 1 1178 . 1 1 111 111 ARG HG2 H 1 1.61 0.03 . 2 . . . . 111 . . . 7122 1 1179 . 1 1 111 111 ARG HG3 H 1 1.54 0.03 . 2 . . . . 111 . . . 7122 1 1180 . 1 1 111 111 ARG HD2 H 1 3.19 0.03 . 2 . . . . 111 . . . 7122 1 1181 . 1 1 111 111 ARG C C 13 177.4 0.1 . 1 . . . . 111 . . . 7122 1 1182 . 1 1 111 111 ARG CA C 13 58.9 0.1 . 1 . . . . 111 . . . 7122 1 1183 . 1 1 111 111 ARG CB C 13 29.7 0.1 . 1 . . . . 111 . . . 7122 1 1184 . 1 1 111 111 ARG CG C 13 26.7 0.1 . 1 . . . . 111 . . . 7122 1 1185 . 1 1 111 111 ARG CD C 13 43.1 0.1 . 1 . . . . 111 . . . 7122 1 1186 . 1 1 111 111 ARG N N 15 117.6 0.1 . 1 . . . . 111 . . . 7122 1 1187 . 1 1 112 112 ALA H H 1 7.86 0.03 . 1 . . . . 112 . . . 7122 1 1188 . 1 1 112 112 ALA HA H 1 4.13 0.03 . 1 . . . . 112 . . . 7122 1 1189 . 1 1 112 112 ALA HB1 H 1 1.53 0.03 . 1 . . . . 112 . . . 7122 1 1190 . 1 1 112 112 ALA HB2 H 1 1.53 0.03 . 1 . . . . 112 . . . 7122 1 1191 . 1 1 112 112 ALA HB3 H 1 1.53 0.03 . 1 . . . . 112 . . . 7122 1 1192 . 1 1 112 112 ALA C C 13 174.1 0.1 . 1 . . . . 112 . . . 7122 1 1193 . 1 1 112 112 ALA CA C 13 55.4 0.1 . 1 . . . . 112 . . . 7122 1 1194 . 1 1 112 112 ALA CB C 13 17.7 0.1 . 1 . . . . 112 . . . 7122 1 1195 . 1 1 112 112 ALA N N 15 122.8 0.1 . 1 . . . . 112 . . . 7122 1 1196 . 1 1 113 113 VAL H H 1 7.64 0.03 . 1 . . . . 113 . . . 7122 1 1197 . 1 1 113 113 VAL HA H 1 3.69 0.03 . 1 . . . . 113 . . . 7122 1 1198 . 1 1 113 113 VAL HB H 1 2.55 0.03 . 1 . . . . 113 . . . 7122 1 1199 . 1 1 113 113 VAL HG11 H 1 1.12 0.03 . 2 . . . . 113 . . . 7122 1 1200 . 1 1 113 113 VAL HG12 H 1 1.12 0.03 . 2 . . . . 113 . . . 7122 1 1201 . 1 1 113 113 VAL HG13 H 1 1.12 0.03 . 2 . . . . 113 . . . 7122 1 1202 . 1 1 113 113 VAL HG21 H 1 1.40 0.03 . 2 . . . . 113 . . . 7122 1 1203 . 1 1 113 113 VAL HG22 H 1 1.40 0.03 . 2 . . . . 113 . . . 7122 1 1204 . 1 1 113 113 VAL HG23 H 1 1.40 0.03 . 2 . . . . 113 . . . 7122 1 1205 . 1 1 113 113 VAL C C 13 178.0 0.1 . 1 . . . . 113 . . . 7122 1 1206 . 1 1 113 113 VAL CA C 13 67.1 0.1 . 1 . . . . 113 . . . 7122 1 1207 . 1 1 113 113 VAL CB C 13 31.5 0.1 . 1 . . . . 113 . . . 7122 1 1208 . 1 1 113 113 VAL CG1 C 13 22.5 0.1 . 2 . . . . 113 . . . 7122 1 1209 . 1 1 113 113 VAL CG2 C 13 23.0 0.1 . 2 . . . . 113 . . . 7122 1 1210 . 1 1 113 113 VAL N N 15 117.7 0.1 . 1 . . . . 113 . . . 7122 1 1211 . 1 1 114 114 GLY H H 1 8.34 0.03 . 1 . . . . 114 . . . 7122 1 1212 . 1 1 114 114 GLY HA2 H 1 3.82 0.03 . 2 . . . . 114 . . . 7122 1 1213 . 1 1 114 114 GLY HA3 H 1 3.4 0.03 . 2 . . . . 114 . . . 7122 1 1214 . 1 1 114 114 GLY C C 13 179.1 0.1 . 1 . . . . 114 . . . 7122 1 1215 . 1 1 114 114 GLY CA C 13 47.6 0.1 . 1 . . . . 114 . . . 7122 1 1216 . 1 1 114 114 GLY N N 15 105.8 0.1 . 1 . . . . 114 . . . 7122 1 1217 . 1 1 115 115 MET H H 1 8.16 0.03 . 1 . . . . 115 . . . 7122 1 1218 . 1 1 115 115 MET HA H 1 4.19 0.03 . 1 . . . . 115 . . . 7122 1 1219 . 1 1 115 115 MET HB2 H 1 2.62 0.03 . 2 . . . . 115 . . . 7122 1 1220 . 1 1 115 115 MET HB3 H 1 2.18 0.03 . 2 . . . . 115 . . . 7122 1 1221 . 1 1 115 115 MET HG2 H 1 2.72 0.03 . 2 . . . . 115 . . . 7122 1 1222 . 1 1 115 115 MET C C 13 178.0 0.1 . 1 . . . . 115 . . . 7122 1 1223 . 1 1 115 115 MET CA C 13 58.3 0.1 . 1 . . . . 115 . . . 7122 1 1224 . 1 1 115 115 MET CB C 13 33.1 0.1 . 1 . . . . 115 . . . 7122 1 1225 . 1 1 115 115 MET N N 15 120.1 0.1 . 1 . . . . 115 . . . 7122 1 1226 . 1 1 116 116 ALA H H 1 7.73 0.03 . 1 . . . . 116 . . . 7122 1 1227 . 1 1 116 116 ALA HA H 1 4.28 0.03 . 1 . . . . 116 . . . 7122 1 1228 . 1 1 116 116 ALA HB1 H 1 1.66 0.03 . 1 . . . . 116 . . . 7122 1 1229 . 1 1 116 116 ALA HB2 H 1 1.66 0.03 . 1 . . . . 116 . . . 7122 1 1230 . 1 1 116 116 ALA HB3 H 1 1.66 0.03 . 1 . . . . 116 . . . 7122 1 1231 . 1 1 116 116 ALA CA C 13 54.7 0.1 . 1 . . . . 116 . . . 7122 1 1232 . 1 1 116 116 ALA CB C 13 19.1 0.1 . 1 . . . . 116 . . . 7122 1 1233 . 1 1 116 116 ALA N N 15 121.7 0.1 . 1 . . . . 116 . . . 7122 1 1234 . 1 1 117 117 LEU H H 1 8.09 0.03 . 1 . . . . 117 . . . 7122 1 1235 . 1 1 117 117 LEU HA H 1 3.96 0.03 . 1 . . . . 117 . . . 7122 1 1236 . 1 1 117 117 LEU HB2 H 1 2.10 0.03 . 2 . . . . 117 . . . 7122 1 1237 . 1 1 117 117 LEU HB3 H 1 1.82 0.03 . 2 . . . . 117 . . . 7122 1 1238 . 1 1 117 117 LEU HG H 1 1.07 0.03 . 1 . . . . 117 . . . 7122 1 1239 . 1 1 117 117 LEU HD11 H 1 0.87 0.03 . 1 . . . . 117 . . . 7122 1 1240 . 1 1 117 117 LEU HD12 H 1 0.87 0.03 . 1 . . . . 117 . . . 7122 1 1241 . 1 1 117 117 LEU HD13 H 1 0.87 0.03 . 1 . . . . 117 . . . 7122 1 1242 . 1 1 117 117 LEU CA C 13 57.6 0.1 . 1 . . . . 117 . . . 7122 1 1243 . 1 1 117 117 LEU CB C 13 41.3 0.1 . 1 . . . . 117 . . . 7122 1 1244 . 1 1 117 117 LEU CD1 C 13 24.3 0.1 . 1 . . . . 117 . . . 7122 1 1245 . 1 1 117 117 LEU N N 15 115.0 0.1 . 1 . . . . 117 . . . 7122 1 1246 . 1 1 118 118 LYS H H 1 7.64 0.03 . 1 . . . . 118 . . . 7122 1 1247 . 1 1 118 118 LYS HA H 1 4.05 0.03 . 1 . . . . 118 . . . 7122 1 1248 . 1 1 118 118 LYS HB2 H 1 1.96 0.03 . 2 . . . . 118 . . . 7122 1 1249 . 1 1 118 118 LYS HG2 H 1 1.42 0.03 . 2 . . . . 118 . . . 7122 1 1250 . 1 1 118 118 LYS HD2 H 1 1.70 0.03 . 2 . . . . 118 . . . 7122 1 1251 . 1 1 118 118 LYS HD3 H 1 1.59 0.03 . 2 . . . . 118 . . . 7122 1 1252 . 1 1 118 118 LYS HE2 H 1 2.93 0.03 . 2 . . . . 118 . . . 7122 1 1253 . 1 1 118 118 LYS CA C 13 59.0 0.03 . 1 . . . . 118 . . . 7122 1 1254 . 1 1 118 118 LYS CB C 13 32.0 0.03 . 1 . . . . 118 . . . 7122 1 1255 . 1 1 118 118 LYS CE C 13 41.8 0.03 . 2 . . . . 118 . . . 7122 1 1256 . 1 1 118 118 LYS N N 15 118.9 0.03 . 1 . . . . 118 . . . 7122 1 1257 . 1 1 119 119 ARG H H 1 7.30 0.03 . 1 . . . . 119 . . . 7122 1 1258 . 1 1 119 119 ARG HA H 1 4.41 0.03 . 1 . . . . 119 . . . 7122 1 1259 . 1 1 119 119 ARG HB2 H 1 2.19 0.03 . 2 . . . . 119 . . . 7122 1 1260 . 1 1 119 119 ARG HB3 H 1 2.00 0.03 . 2 . . . . 119 . . . 7122 1 1261 . 1 1 119 119 ARG HG2 H 1 1.83 0.03 . 2 . . . . 119 . . . 7122 1 1262 . 1 1 119 119 ARG HG3 H 1 1.70 0.03 . 2 . . . . 119 . . . 7122 1 1263 . 1 1 119 119 ARG HD2 H 1 3.27 0.03 . 2 . . . . 119 . . . 7122 1 1264 . 1 1 119 119 ARG C C 13 179.7 0.1 . 1 . . . . 119 . . . 7122 1 1265 . 1 1 119 119 ARG CA C 13 54.7 0.1 . 1 . . . . 119 . . . 7122 1 1266 . 1 1 119 119 ARG CB C 13 29.8 0.1 . 1 . . . . 119 . . . 7122 1 1267 . 1 1 119 119 ARG CG C 13 27.2 0.1 . 1 . . . . 119 . . . 7122 1 1268 . 1 1 119 119 ARG CD C 13 43.3 0.1 . 1 . . . . 119 . . . 7122 1 1269 . 1 1 119 119 ARG N N 15 115.2 0.1 . 1 . . . . 119 . . . 7122 1 1270 . 1 1 120 120 ASN H H 1 7.27 0.03 . 1 . . . . 120 . . . 7122 1 1271 . 1 1 120 120 ASN HA H 1 4.50 0.03 . 1 . . . . 120 . . . 7122 1 1272 . 1 1 120 120 ASN HB2 H 1 3.16 0.03 . 2 . . . . 120 . . . 7122 1 1273 . 1 1 120 120 ASN HB3 H 1 2.77 0.03 . 2 . . . . 120 . . . 7122 1 1274 . 1 1 120 120 ASN CA C 13 51.1 0.1 . 1 . . . . 120 . . . 7122 1 1275 . 1 1 120 120 ASN CB C 13 37.0 0.1 . 1 . . . . 120 . . . 7122 1 1276 . 1 1 120 120 ASN N N 15 118.2 0.1 . 1 . . . . 120 . . . 7122 1 1277 . 1 1 121 121 PRO HA H 1 4.65 0.03 . 1 . . . . 121 . . . 7122 1 1278 . 1 1 121 121 PRO HB2 H 1 2.32 0.03 . 2 . . . . 121 . . . 7122 1 1279 . 1 1 121 121 PRO HB3 H 1 2.56 0.03 . 2 . . . . 121 . . . 7122 1 1280 . 1 1 121 121 PRO CA C 13 63.5 0.1 . 1 . . . . 121 . . . 7122 1 1281 . 1 1 121 121 PRO CB C 13 32.1 0.1 . 1 . . . . 121 . . . 7122 1 1282 . 1 1 122 122 LEU H H 1 7.03 0.03 . 1 . . . . 122 . . . 7122 1 1283 . 1 1 122 122 LEU HA H 1 5.42 0.03 . 1 . . . . 122 . . . 7122 1 1284 . 1 1 122 122 LEU HB2 H 1 1.34 0.03 . 2 . . . . 122 . . . 7122 1 1285 . 1 1 122 122 LEU HG H 1 0.73 0.03 . 1 . . . . 122 . . . 7122 1 1286 . 1 1 122 122 LEU HD11 H 1 0.67 0.03 . 2 . . . . 122 . . . 7122 1 1287 . 1 1 122 122 LEU HD12 H 1 0.67 0.03 . 2 . . . . 122 . . . 7122 1 1288 . 1 1 122 122 LEU HD13 H 1 0.67 0.03 . 2 . . . . 122 . . . 7122 1 1289 . 1 1 122 122 LEU CA C 13 51.3 0.1 . 1 . . . . 122 . . . 7122 1 1290 . 1 1 122 122 LEU CB C 13 43.3 0.1 . 1 . . . . 122 . . . 7122 1 1291 . 1 1 122 122 LEU CG C 13 28.6 0.1 . 1 . . . . 122 . . . 7122 1 1292 . 1 1 122 122 LEU CD1 C 13 24.0 0.1 . 2 . . . . 122 . . . 7122 1 1293 . 1 1 122 122 LEU N N 15 119.47 0.1 . 1 . . . . 122 . . . 7122 1 1294 . 1 1 123 123 PRO HA H 1 4.65 0.03 . 1 . . . . 123 . . . 7122 1 1295 . 1 1 123 123 PRO HB2 H 1 2.16 0.03 . 2 . . . . 123 . . . 7122 1 1296 . 1 1 123 123 PRO CA C 13 64.5 0.1 . 1 . . . . 123 . . . 7122 1 1297 . 1 1 123 123 PRO CB C 13 31.0 0.1 . 1 . . . . 123 . . . 7122 1 1298 . 1 1 124 124 LEU H H 1 8.22 0.03 . 1 . . . . 124 . . . 7122 1 1299 . 1 1 124 124 LEU HA H 1 3.64 0.03 . 1 . . . . 124 . . . 7122 1 1300 . 1 1 124 124 LEU HD11 H 1 0.78 0.03 . 2 . . . . 124 . . . 7122 1 1301 . 1 1 124 124 LEU HD12 H 1 0.78 0.03 . 2 . . . . 124 . . . 7122 1 1302 . 1 1 124 124 LEU HD13 H 1 0.78 0.03 . 2 . . . . 124 . . . 7122 1 1303 . 1 1 124 124 LEU CA C 13 60.7 0.1 . 1 . . . . 124 . . . 7122 1 1304 . 1 1 124 124 LEU CB C 13 40.1 0.1 . 1 . . . . 124 . . . 7122 1 1305 . 1 1 124 124 LEU CD1 C 13 22.9 0.1 . 2 . . . . 124 . . . 7122 1 1306 . 1 1 124 124 LEU N N 15 115.1 0.1 . 1 . . . . 124 . . . 7122 1 1307 . 1 1 125 125 ILE H H 1 8.18 0.03 . 1 . . . . 125 . . . 7122 1 1308 . 1 1 125 125 ILE HA H 1 3.19 0.03 . 1 . . . . 125 . . . 7122 1 1309 . 1 1 125 125 ILE HB H 1 1.52 0.03 . 1 . . . . 125 . . . 7122 1 1310 . 1 1 125 125 ILE HG12 H 1 1.28 0.03 . 2 . . . . 125 . . . 7122 1 1311 . 1 1 125 125 ILE HG13 H 1 0.73 0.03 . 2 . . . . 125 . . . 7122 1 1312 . 1 1 125 125 ILE HG21 H 1 0.30 0.03 . 1 . . . . 125 . . . 7122 1 1313 . 1 1 125 125 ILE HG22 H 1 0.30 0.03 . 1 . . . . 125 . . . 7122 1 1314 . 1 1 125 125 ILE HG23 H 1 0.30 0.03 . 1 . . . . 125 . . . 7122 1 1315 . 1 1 125 125 ILE HD11 H 1 0.50 0.03 . 1 . . . . 125 . . . 7122 1 1316 . 1 1 125 125 ILE HD12 H 1 0.50 0.03 . 1 . . . . 125 . . . 7122 1 1317 . 1 1 125 125 ILE HD13 H 1 0.50 0.03 . 1 . . . . 125 . . . 7122 1 1318 . 1 1 125 125 ILE C C 13 180.3 0.1 . 1 . . . . 125 . . . 7122 1 1319 . 1 1 125 125 ILE CA C 13 65.0 0.1 . 1 . . . . 125 . . . 7122 1 1320 . 1 1 125 125 ILE CB C 13 37.5 0.1 . 1 . . . . 125 . . . 7122 1 1321 . 1 1 125 125 ILE CG1 C 13 29.3 0.1 . 1 . . . . 125 . . . 7122 1 1322 . 1 1 125 125 ILE CG2 C 13 16.5 0.1 . 1 . . . . 125 . . . 7122 1 1323 . 1 1 125 125 ILE CD1 C 13 12.4 0.1 . 1 . . . . 125 . . . 7122 1 1324 . 1 1 125 125 ILE N N 15 122.1 0.1 . 1 . . . . 125 . . . 7122 1 1325 . 1 1 126 126 ILE H H 1 8.31 0.03 . 1 . . . . 126 . . . 7122 1 1326 . 1 1 126 126 ILE HA H 1 4.45 0.03 . 1 . . . . 126 . . . 7122 1 1327 . 1 1 126 126 ILE HB H 1 2.08 0.03 . 1 . . . . 126 . . . 7122 1 1328 . 1 1 126 126 ILE HG12 H 1 1.07 0.03 . 2 . . . . 126 . . . 7122 1 1329 . 1 1 126 126 ILE HG21 H 1 0.75 0.03 . 1 . . . . 126 . . . 7122 1 1330 . 1 1 126 126 ILE HG22 H 1 0.75 0.03 . 1 . . . . 126 . . . 7122 1 1331 . 1 1 126 126 ILE HG23 H 1 0.75 0.03 . 1 . . . . 126 . . . 7122 1 1332 . 1 1 126 126 ILE HD11 H 1 0.83 0.03 . 1 . . . . 126 . . . 7122 1 1333 . 1 1 126 126 ILE HD12 H 1 0.83 0.03 . 1 . . . . 126 . . . 7122 1 1334 . 1 1 126 126 ILE HD13 H 1 0.83 0.03 . 1 . . . . 126 . . . 7122 1 1335 . 1 1 126 126 ILE CA C 13 63.4 0.1 . 1 . . . . 126 . . . 7122 1 1336 . 1 1 126 126 ILE CG1 C 13 28.0 0.1 . 1 . . . . 126 . . . 7122 1 1337 . 1 1 126 126 ILE CG2 C 13 17.5 0.1 . 1 . . . . 126 . . . 7122 1 1338 . 1 1 126 126 ILE CD1 C 13 12.9 0.1 . 1 . . . . 126 . . . 7122 1 1339 . 1 1 126 126 ILE N N 15 116.3 0.1 . 1 . . . . 126 . . . 7122 1 1340 . 1 1 127 127 PRO HA H 1 4.60 0.03 . 1 . . . . 127 . . . 7122 1 1341 . 1 1 127 127 PRO HB2 H 1 1.67 0.03 . 2 . . . . 127 . . . 7122 1 1342 . 1 1 127 127 PRO CA C 13 63.4 0.1 . 1 . . . . 127 . . . 7122 1 1343 . 1 1 127 127 PRO CB C 13 28.0 0.1 . 1 . . . . 127 . . . 7122 1 1344 . 1 1 128 128 CYS H H 1 9.39 0.03 . 1 . . . . 128 . . . 7122 1 1345 . 1 1 128 128 CYS HA H 1 4.10 0.03 . 1 . . . . 128 . . . 7122 1 1346 . 1 1 128 128 CYS HB2 H 1 3.48 0.03 . 2 . . . . 128 . . . 7122 1 1347 . 1 1 128 128 CYS HB3 H 1 2.74 0.03 . 2 . . . . 128 . . . 7122 1 1348 . 1 1 128 128 CYS C C 13 179.3 0.1 . 1 . . . . 128 . . . 7122 1 1349 . 1 1 128 128 CYS CA C 13 61.2 0.1 . 1 . . . . 128 . . . 7122 1 1350 . 1 1 128 128 CYS CB C 13 30.2 0.1 . 1 . . . . 128 . . . 7122 1 1351 . 1 1 128 128 CYS N N 15 126.2 0.1 . 1 . . . . 128 . . . 7122 1 1352 . 1 1 129 129 HIS H H 1 8.10 0.03 . 1 . . . . 129 . . . 7122 1 1353 . 1 1 129 129 HIS HA H 1 4.22 0.03 . 1 . . . . 129 . . . 7122 1 1354 . 1 1 129 129 HIS HB2 H 1 2.77 0.03 . 2 . . . . 129 . . . 7122 1 1355 . 1 1 129 129 HIS HB3 H 1 2.36 0.03 . 2 . . . . 129 . . . 7122 1 1356 . 1 1 129 129 HIS HE1 H 1 8.49 0.03 . 1 . . . . 129 . . . 7122 1 1357 . 1 1 129 129 HIS C C 13 182.8 0.1 . 1 . . . . 129 . . . 7122 1 1358 . 1 1 129 129 HIS CA C 13 57.2 0.1 . 1 . . . . 129 . . . 7122 1 1359 . 1 1 129 129 HIS CB C 13 29.3 0.1 . 1 . . . . 129 . . . 7122 1 1360 . 1 1 129 129 HIS N N 15 118.9 0.1 . 1 . . . . 129 . . . 7122 1 1361 . 1 1 130 130 ARG H H 1 7.07 0.03 . 1 . . . . 130 . . . 7122 1 1362 . 1 1 130 130 ARG HA H 1 4.06 0.03 . 1 . . . . 130 . . . 7122 1 1363 . 1 1 130 130 ARG HB2 H 1 1.32 0.03 . 2 . . . . 130 . . . 7122 1 1364 . 1 1 130 130 ARG CA C 13 56.7 0.1 . 1 . . . . 130 . . . 7122 1 1365 . 1 1 130 130 ARG CB C 13 30.1 0.1 . 1 . . . . 130 . . . 7122 1 1366 . 1 1 130 130 ARG N N 15 114.6 0.1 . 1 . . . . 130 . . . 7122 1 1367 . 1 1 131 131 VAL H H 1 6.84 0.03 . 1 . . . . 131 . . . 7122 1 1368 . 1 1 131 131 VAL HA H 1 4.75 0.03 . 1 . . . . 131 . . . 7122 1 1369 . 1 1 131 131 VAL HB H 1 1.78 0.03 . 1 . . . . 131 . . . 7122 1 1370 . 1 1 131 131 VAL HG11 H 1 0.07 0.03 . 1 . . . . 131 . . . 7122 1 1371 . 1 1 131 131 VAL HG12 H 1 0.07 0.03 . 1 . . . . 131 . . . 7122 1 1372 . 1 1 131 131 VAL HG13 H 1 0.07 0.03 . 1 . . . . 131 . . . 7122 1 1373 . 1 1 131 131 VAL HG21 H 1 0.56 0.03 . 1 . . . . 131 . . . 7122 1 1374 . 1 1 131 131 VAL HG22 H 1 0.56 0.03 . 1 . . . . 131 . . . 7122 1 1375 . 1 1 131 131 VAL HG23 H 1 0.56 0.03 . 1 . . . . 131 . . . 7122 1 1376 . 1 1 131 131 VAL C C 13 180.5 0.1 . 1 . . . . 131 . . . 7122 1 1377 . 1 1 131 131 VAL CA C 13 60.1 0.1 . 1 . . . . 131 . . . 7122 1 1378 . 1 1 131 131 VAL CB C 13 30.7 0.1 . 1 . . . . 131 . . . 7122 1 1379 . 1 1 131 131 VAL CG1 C 13 21.7 0.1 . 1 . . . . 131 . . . 7122 1 1380 . 1 1 131 131 VAL CG2 C 13 22.4 0.1 . 1 . . . . 131 . . . 7122 1 1381 . 1 1 131 131 VAL N N 15 117.5 0.1 . 1 . . . . 131 . . . 7122 1 1382 . 1 1 132 132 VAL H H 1 8.47 0.03 . 1 . . . . 132 . . . 7122 1 1383 . 1 1 132 132 VAL HA H 1 4.51 0.03 . 1 . . . . 132 . . . 7122 1 1384 . 1 1 132 132 VAL HB H 1 2.46 0.03 . 1 . . . . 132 . . . 7122 1 1385 . 1 1 132 132 VAL HG11 H 1 0.71 0.03 . 1 . . . . 132 . . . 7122 1 1386 . 1 1 132 132 VAL HG12 H 1 0.71 0.03 . 1 . . . . 132 . . . 7122 1 1387 . 1 1 132 132 VAL HG13 H 1 0.71 0.03 . 1 . . . . 132 . . . 7122 1 1388 . 1 1 132 132 VAL HG21 H 1 0.87 0.03 . 1 . . . . 132 . . . 7122 1 1389 . 1 1 132 132 VAL HG22 H 1 0.87 0.03 . 1 . . . . 132 . . . 7122 1 1390 . 1 1 132 132 VAL HG23 H 1 0.87 0.03 . 1 . . . . 132 . . . 7122 1 1391 . 1 1 132 132 VAL C C 13 182.3 0.1 . 1 . . . . 132 . . . 7122 1 1392 . 1 1 132 132 VAL CA C 13 58.7 0.1 . 1 . . . . 132 . . . 7122 1 1393 . 1 1 132 132 VAL CB C 13 34.3 0.1 . 1 . . . . 132 . . . 7122 1 1394 . 1 1 132 132 VAL CG1 C 13 17.2 0.1 . 1 . . . . 132 . . . 7122 1 1395 . 1 1 132 132 VAL CG2 C 13 21.3 0.1 . 1 . . . . 132 . . . 7122 1 1396 . 1 1 132 132 VAL N N 15 119.3 0.1 . 1 . . . . 132 . . . 7122 1 1397 . 1 1 133 133 ALA H H 1 7.33 0.03 . 1 . . . . 133 . . . 7122 1 1398 . 1 1 133 133 ALA HA H 1 5.47 0.03 . 1 . . . . 133 . . . 7122 1 1399 . 1 1 133 133 ALA HB1 H 1 1.66 0.03 . 1 . . . . 133 . . . 7122 1 1400 . 1 1 133 133 ALA HB2 H 1 1.66 0.03 . 1 . . . . 133 . . . 7122 1 1401 . 1 1 133 133 ALA HB3 H 1 1.66 0.03 . 1 . . . . 133 . . . 7122 1 1402 . 1 1 133 133 ALA C C 13 178.3 0.1 . 1 . . . . 133 . . . 7122 1 1403 . 1 1 133 133 ALA CA C 13 50.0 0.1 . 1 . . . . 133 . . . 7122 1 1404 . 1 1 133 133 ALA CB C 13 17.5 0.1 . 1 . . . . 133 . . . 7122 1 1405 . 1 1 133 133 ALA N N 15 117.9 0.1 . 1 . . . . 133 . . . 7122 1 1406 . 1 1 134 134 LYS H H 1 8.35 0.03 . 1 . . . . 134 . . . 7122 1 1407 . 1 1 134 134 LYS HA H 1 4.05 0.03 . 1 . . . . 134 . . . 7122 1 1408 . 1 1 134 134 LYS HB2 H 1 2.02 0.03 . 2 . . . . 134 . . . 7122 1 1409 . 1 1 134 134 LYS HB3 H 1 1.88 0.03 . 2 . . . . 134 . . . 7122 1 1410 . 1 1 134 134 LYS HE2 H 1 3.07 0.03 . 2 . . . . 134 . . . 7122 1 1411 . 1 1 134 134 LYS C C 13 178.3 0.1 . 1 . . . . 134 . . . 7122 1 1412 . 1 1 134 134 LYS CA C 13 59.2 0.1 . 1 . . . . 134 . . . 7122 1 1413 . 1 1 134 134 LYS CB C 13 32.2 0.1 . 1 . . . . 134 . . . 7122 1 1414 . 1 1 134 134 LYS CE C 13 41.7 0.1 . 2 . . . . 134 . . . 7122 1 1415 . 1 1 134 134 LYS N N 15 119.5 0.1 . 1 . . . . 134 . . . 7122 1 1416 . 1 1 135 135 ASN H H 1 8.26 0.03 . 1 . . . . 135 . . . 7122 1 1417 . 1 1 135 135 ASN HA H 1 5.00 0.03 . 1 . . . . 135 . . . 7122 1 1418 . 1 1 135 135 ASN HB2 H 1 2.97 0.03 . 2 . . . . 135 . . . 7122 1 1419 . 1 1 135 135 ASN HB3 H 1 2.82 0.03 . 2 . . . . 135 . . . 7122 1 1420 . 1 1 135 135 ASN C C 13 181.4 0.1 . 1 . . . . 135 . . . 7122 1 1421 . 1 1 135 135 ASN CA C 13 57.7 0.1 . 1 . . . . 135 . . . 7122 1 1422 . 1 1 135 135 ASN CB C 13 41.5 0.1 . 1 . . . . 135 . . . 7122 1 1423 . 1 1 135 135 ASN N N 15 112.6 0.1 . 1 . . . . 135 . . . 7122 1 1424 . 1 1 136 136 SER H H 1 7.37 0.03 . 1 . . . . 136 . . . 7122 1 1425 . 1 1 136 136 SER HA H 1 4.68 0.03 . 1 . . . . 136 . . . 7122 1 1426 . 1 1 136 136 SER HB2 H 1 4.19 0.03 . 2 . . . . 136 . . . 7122 1 1427 . 1 1 136 136 SER HB3 H 1 3.99 0.03 . 2 . . . . 136 . . . 7122 1 1428 . 1 1 136 136 SER C C 13 182.2 0.1 . 1 . . . . 136 . . . 7122 1 1429 . 1 1 136 136 SER CA C 13 57.7 0.1 . 1 . . . . 136 . . . 7122 1 1430 . 1 1 136 136 SER CB C 13 64.6 0.1 . 1 . . . . 136 . . . 7122 1 1431 . 1 1 136 136 SER N N 15 111.8 0.1 . 1 . . . . 136 . . . 7122 1 1432 . 1 1 137 137 LEU H H 1 8.70 0.03 . 1 . . . . 137 . . . 7122 1 1433 . 1 1 137 137 LEU HA H 1 4.30 0.03 . 1 . . . . 137 . . . 7122 1 1434 . 1 1 137 137 LEU HB2 H 1 1.86 0.03 . 2 . . . . 137 . . . 7122 1 1435 . 1 1 137 137 LEU HB3 H 1 1.52 0.03 . 2 . . . . 137 . . . 7122 1 1436 . 1 1 137 137 LEU HD11 H 1 0.89 0.03 . 2 . . . . 137 . . . 7122 1 1437 . 1 1 137 137 LEU HD12 H 1 0.89 0.03 . 2 . . . . 137 . . . 7122 1 1438 . 1 1 137 137 LEU HD13 H 1 0.89 0.03 . 2 . . . . 137 . . . 7122 1 1439 . 1 1 137 137 LEU HD21 H 1 0.94 0.03 . 2 . . . . 137 . . . 7122 1 1440 . 1 1 137 137 LEU HD22 H 1 0.94 0.03 . 2 . . . . 137 . . . 7122 1 1441 . 1 1 137 137 LEU HD23 H 1 0.94 0.03 . 2 . . . . 137 . . . 7122 1 1442 . 1 1 137 137 LEU C C 13 177.8 0.1 . 1 . . . . 137 . . . 7122 1 1443 . 1 1 137 137 LEU CA C 13 56.5 0.1 . 1 . . . . 137 . . . 7122 1 1444 . 1 1 137 137 LEU CB C 13 43.5 0.1 . 1 . . . . 137 . . . 7122 1 1445 . 1 1 137 137 LEU CD1 C 13 23.7 0.1 . 2 . . . . 137 . . . 7122 1 1446 . 1 1 137 137 LEU CD2 C 13 25.3 0.1 . 2 . . . . 137 . . . 7122 1 1447 . 1 1 137 137 LEU N N 15 118.5 0.1 . 1 . . . . 137 . . . 7122 1 1448 . 1 1 138 138 GLY H H 1 8.33 0.03 . 1 . . . . 138 . . . 7122 1 1449 . 1 1 138 138 GLY HA2 H 1 4.41 0.03 . 2 . . . . 138 . . . 7122 1 1450 . 1 1 138 138 GLY HA3 H 1 3.90 0.03 . 2 . . . . 138 . . . 7122 1 1451 . 1 1 138 138 GLY C C 13 170.9 0.1 . 1 . . . . 138 . . . 7122 1 1452 . 1 1 138 138 GLY CA C 13 45.3 0.1 . 1 . . . . 138 . . . 7122 1 1453 . 1 1 138 138 GLY N N 15 106.7 0.1 . 1 . . . . 138 . . . 7122 1 1454 . 1 1 139 139 GLY H H 1 7.84 0.03 . 1 . . . . 139 . . . 7122 1 1455 . 1 1 139 139 GLY HA2 H 1 4.64 0.03 . 2 . . . . 139 . . . 7122 1 1456 . 1 1 139 139 GLY HA3 H 1 3.80 0.03 . 2 . . . . 139 . . . 7122 1 1457 . 1 1 139 139 GLY CA C 13 44.1 0.1 . 1 . . . . 139 . . . 7122 1 1458 . 1 1 139 139 GLY N N 15 108.4 0.1 . 1 . . . . 139 . . . 7122 1 1459 . 1 1 140 140 TYR H H 1 8.59 0.03 . 1 . . . . 140 . . . 7122 1 1460 . 1 1 140 140 TYR HA H 1 4.66 0.03 . 1 . . . . 140 . . . 7122 1 1461 . 1 1 140 140 TYR CA C 13 57.6 0.1 . 1 . . . . 140 . . . 7122 1 1462 . 1 1 140 140 TYR CB C 13 39.7 0.1 . 1 . . . . 140 . . . 7122 1 1463 . 1 1 140 140 TYR N N 15 117.13 0.1 . 1 . . . . 140 . . . 7122 1 1464 . 1 1 141 141 SER HA H 1 4.017 0.03 . 1 . . . . 141 . . . 7122 1 1465 . 1 1 141 141 SER HB2 H 1 3.592 0.03 . 2 . . . . 141 . . . 7122 1 1466 . 1 1 141 141 SER HB3 H 1 3.357 0.03 . 2 . . . . 141 . . . 7122 1 1467 . 1 1 141 141 SER C C 13 181.0 0.1 . 1 . . . . 141 . . . 7122 1 1468 . 1 1 141 141 SER CA C 13 60.9 0.1 . 1 . . . . 141 . . . 7122 1 1469 . 1 1 141 141 SER CB C 13 61.9 0.1 . 1 . . . . 141 . . . 7122 1 1470 . 1 1 142 142 TYR H H 1 5.62 0.03 . 1 . . . . 142 . . . 7122 1 1471 . 1 1 142 142 TYR HA H 1 4.33 0.03 . 1 . . . . 142 . . . 7122 1 1472 . 1 1 142 142 TYR HB2 H 1 3.17 0.03 . 2 . . . . 142 . . . 7122 1 1473 . 1 1 142 142 TYR HB3 H 1 2.38 0.03 . 2 . . . . 142 . . . 7122 1 1474 . 1 1 142 142 TYR HD1 H 1 6.14 0.03 . 3 . . . . 142 . . . 7122 1 1475 . 1 1 142 142 TYR HE1 H 1 6.31 0.03 . 3 . . . . 142 . . . 7122 1 1476 . 1 1 142 142 TYR C C 13 181.6 0.1 . 1 . . . . 142 . . . 7122 1 1477 . 1 1 142 142 TYR CA C 13 57.9 0.1 . 1 . . . . 142 . . . 7122 1 1478 . 1 1 142 142 TYR CB C 13 39.2 0.1 . 1 . . . . 142 . . . 7122 1 1479 . 1 1 142 142 TYR CD1 C 13 133.7 0.1 . 3 . . . . 142 . . . 7122 1 1480 . 1 1 142 142 TYR CE1 C 13 118.3 0.1 . 3 . . . . 142 . . . 7122 1 1481 . 1 1 142 142 TYR N N 15 113.8 0.1 . 1 . . . . 142 . . . 7122 1 1482 . 1 1 143 143 GLY H H 1 7.65 0.03 . 1 . . . . 143 . . . 7122 1 1483 . 1 1 143 143 GLY HA2 H 1 4.86 0.03 . 2 . . . . 143 . . . 7122 1 1484 . 1 1 143 143 GLY HA3 H 1 4.08 0.03 . 2 . . . . 143 . . . 7122 1 1485 . 1 1 143 143 GLY C C 13 180.5 0.1 . 1 . . . . 143 . . . 7122 1 1486 . 1 1 143 143 GLY CA C 13 44.2 0.1 . 1 . . . . 143 . . . 7122 1 1487 . 1 1 143 143 GLY N N 15 106.6 0.1 . 1 . . . . 143 . . . 7122 1 1488 . 1 1 144 144 LEU H H 1 9.11 0.03 . 1 . . . . 144 . . . 7122 1 1489 . 1 1 144 144 LEU HA H 1 4.10 0.03 . 1 . . . . 144 . . . 7122 1 1490 . 1 1 144 144 LEU HB2 H 1 1.93 0.03 . 2 . . . . 144 . . . 7122 1 1491 . 1 1 144 144 LEU HB3 H 1 1.75 0.03 . 2 . . . . 144 . . . 7122 1 1492 . 1 1 144 144 LEU HG H 1 1.91 0.03 . 1 . . . . 144 . . . 7122 1 1493 . 1 1 144 144 LEU HD11 H 1 0.95 0.03 . 2 . . . . 144 . . . 7122 1 1494 . 1 1 144 144 LEU HD12 H 1 0.95 0.03 . 2 . . . . 144 . . . 7122 1 1495 . 1 1 144 144 LEU HD13 H 1 0.95 0.03 . 2 . . . . 144 . . . 7122 1 1496 . 1 1 144 144 LEU HD21 H 1 1.06 0.03 . 2 . . . . 144 . . . 7122 1 1497 . 1 1 144 144 LEU HD22 H 1 1.06 0.03 . 2 . . . . 144 . . . 7122 1 1498 . 1 1 144 144 LEU HD23 H 1 1.06 0.03 . 2 . . . . 144 . . . 7122 1 1499 . 1 1 144 144 LEU C C 13 177.5 0.1 . 1 . . . . 144 . . . 7122 1 1500 . 1 1 144 144 LEU CA C 13 58.1 0.1 . 1 . . . . 144 . . . 7122 1 1501 . 1 1 144 144 LEU CB C 13 41.7 0.1 . 1 . . . . 144 . . . 7122 1 1502 . 1 1 144 144 LEU CG C 13 27.2 0.1 . 1 . . . . 144 . . . 7122 1 1503 . 1 1 144 144 LEU CD1 C 13 24.0 0.1 . 2 . . . . 144 . . . 7122 1 1504 . 1 1 144 144 LEU CD2 C 13 24.5 0.1 . 2 . . . . 144 . . . 7122 1 1505 . 1 1 144 144 LEU N N 15 123.4 0.1 . 1 . . . . 144 . . . 7122 1 1506 . 1 1 145 145 ASP H H 1 9.17 0.03 . 1 . . . . 145 . . . 7122 1 1507 . 1 1 145 145 ASP HA H 1 4.30 0.03 . 1 . . . . 145 . . . 7122 1 1508 . 1 1 145 145 ASP HB2 H 1 2.85 0.03 . 2 . . . . 145 . . . 7122 1 1509 . 1 1 145 145 ASP HB3 H 1 2.68 0.03 . 2 . . . . 145 . . . 7122 1 1510 . 1 1 145 145 ASP CA C 13 56.9 0.1 . 1 . . . . 145 . . . 7122 1 1511 . 1 1 145 145 ASP CB C 13 38.6 0.1 . 1 . . . . 145 . . . 7122 1 1512 . 1 1 145 145 ASP N N 15 116.8 0.1 . 1 . . . . 145 . . . 7122 1 1513 . 1 1 146 146 LYS H H 1 7.52 0.03 . 1 . . . . 146 . . . 7122 1 1514 . 1 1 146 146 LYS HA H 1 4.29 0.03 . 1 . . . . 146 . . . 7122 1 1515 . 1 1 146 146 LYS HB2 H 1 2.27 0.03 . 2 . . . . 146 . . . 7122 1 1516 . 1 1 146 146 LYS HB3 H 1 1.97 0.03 . 2 . . . . 146 . . . 7122 1 1517 . 1 1 146 146 LYS C C 13 178.7 0.1 . 1 . . . . 146 . . . 7122 1 1518 . 1 1 146 146 LYS CA C 13 57.6 0.1 . 1 . . . . 146 . . . 7122 1 1519 . 1 1 146 146 LYS CB C 13 31.4 0.1 . 1 . . . . 146 . . . 7122 1 1520 . 1 1 146 146 LYS N N 15 119.2 0.1 . 1 . . . . 146 . . . 7122 1 1521 . 1 1 147 147 LYS H H 1 7.23 0.03 . 1 . . . . 147 . . . 7122 1 1522 . 1 1 147 147 LYS HA H 1 3.23 0.03 . 1 . . . . 147 . . . 7122 1 1523 . 1 1 147 147 LYS HB2 H 1 1.83 0.03 . 2 . . . . 147 . . . 7122 1 1524 . 1 1 147 147 LYS HB3 H 1 1.36 0.03 . 2 . . . . 147 . . . 7122 1 1525 . 1 1 147 147 LYS C C 13 178.5 0.1 . 1 . . . . 147 . . . 7122 1 1526 . 1 1 147 147 LYS CA C 13 59.9 0.1 . 1 . . . . 147 . . . 7122 1 1527 . 1 1 147 147 LYS CB C 13 34.0 0.1 . 1 . . . . 147 . . . 7122 1 1528 . 1 1 147 147 LYS N N 15 119.4 0.1 . 1 . . . . 147 . . . 7122 1 1529 . 1 1 148 148 LYS H H 1 8.18 0.03 . 1 . . . . 148 . . . 7122 1 1530 . 1 1 148 148 LYS HA H 1 3.75 0.03 . 1 . . . . 148 . . . 7122 1 1531 . 1 1 148 148 LYS HB2 H 1 1.87 0.03 . 2 . . . . 148 . . . 7122 1 1532 . 1 1 148 148 LYS HD2 H 1 1.71 0.03 . 2 . . . . 148 . . . 7122 1 1533 . 1 1 148 148 LYS HE2 H 1 2.99 0.03 . 2 . . . . 148 . . . 7122 1 1534 . 1 1 148 148 LYS C C 13 178.2 0.1 . 1 . . . . 148 . . . 7122 1 1535 . 1 1 148 148 LYS CA C 13 59.4 0.1 . 1 . . . . 148 . . . 7122 1 1536 . 1 1 148 148 LYS CB C 13 33.0 0.1 . 1 . . . . 148 . . . 7122 1 1537 . 1 1 148 148 LYS CD C 13 29.4 0.1 . 1 . . . . 148 . . . 7122 1 1538 . 1 1 148 148 LYS N N 15 115.1 0.1 . 1 . . . . 148 . . . 7122 1 1539 . 1 1 149 149 PHE H H 1 7.48 0.03 . 1 . . . . 149 . . . 7122 1 1540 . 1 1 149 149 PHE HA H 1 4.09 0.03 . 1 . . . . 149 . . . 7122 1 1541 . 1 1 149 149 PHE HB2 H 1 3.30 0.03 . 2 . . . . 149 . . . 7122 1 1542 . 1 1 149 149 PHE HB3 H 1 3.19 0.03 . 2 . . . . 149 . . . 7122 1 1543 . 1 1 149 149 PHE HD1 H 1 6.83 0.03 . 3 . . . . 149 . . . 7122 1 1544 . 1 1 149 149 PHE HE1 H 1 6.73 0.03 . 3 . . . . 149 . . . 7122 1 1545 . 1 1 149 149 PHE CA C 13 61.1 0.1 . 1 . . . . 149 . . . 7122 1 1546 . 1 1 149 149 PHE CB C 13 39.2 0.1 . 1 . . . . 149 . . . 7122 1 1547 . 1 1 149 149 PHE CD1 C 13 131.7 0.1 . 3 . . . . 149 . . . 7122 1 1548 . 1 1 149 149 PHE CE1 C 13 131.4 0.1 . 3 . . . . 149 . . . 7122 1 1549 . 1 1 149 149 PHE N N 15 118.2 0.1 . 1 . . . . 149 . . . 7122 1 1550 . 1 1 150 150 ILE H H 1 7.86 0.03 . 1 . . . . 150 . . . 7122 1 1551 . 1 1 150 150 ILE HA H 1 3.27 0.03 . 1 . . . . 150 . . . 7122 1 1552 . 1 1 150 150 ILE HB H 1 1.15 0.03 . 1 . . . . 150 . . . 7122 1 1553 . 1 1 150 150 ILE HG12 H 1 1.84 0.03 . 2 . . . . 150 . . . 7122 1 1554 . 1 1 150 150 ILE HG13 H 1 0.90 0.03 . 2 . . . . 150 . . . 7122 1 1555 . 1 1 150 150 ILE HG21 H 1 0.24 0.03 . 1 . . . . 150 . . . 7122 1 1556 . 1 1 150 150 ILE HG22 H 1 0.24 0.03 . 1 . . . . 150 . . . 7122 1 1557 . 1 1 150 150 ILE HG23 H 1 0.24 0.03 . 1 . . . . 150 . . . 7122 1 1558 . 1 1 150 150 ILE HD11 H 1 0.65 0.03 . 1 . . . . 150 . . . 7122 1 1559 . 1 1 150 150 ILE HD12 H 1 0.65 0.03 . 1 . . . . 150 . . . 7122 1 1560 . 1 1 150 150 ILE HD13 H 1 0.65 0.03 . 1 . . . . 150 . . . 7122 1 1561 . 1 1 150 150 ILE C C 13 176.9 0.1 . 1 . . . . 150 . . . 7122 1 1562 . 1 1 150 150 ILE CA C 13 65.0 0.1 . 1 . . . . 150 . . . 7122 1 1563 . 1 1 150 150 ILE CB C 13 39.7 0.1 . 1 . . . . 150 . . . 7122 1 1564 . 1 1 150 150 ILE CG1 C 13 28.0 0.1 . 1 . . . . 150 . . . 7122 1 1565 . 1 1 150 150 ILE CG2 C 13 18.4 0.1 . 1 . . . . 150 . . . 7122 1 1566 . 1 1 150 150 ILE CD1 C 13 15.2 0.1 . 1 . . . . 150 . . . 7122 1 1567 . 1 1 150 150 ILE N N 15 119.0 0.1 . 1 . . . . 150 . . . 7122 1 1568 . 1 1 151 151 LEU H H 1 7.93 0.03 . 1 . . . . 151 . . . 7122 1 1569 . 1 1 151 151 LEU HA H 1 3.72 0.03 . 1 . . . . 151 . . . 7122 1 1570 . 1 1 151 151 LEU HB2 H 1 1.80 0.03 . 2 . . . . 151 . . . 7122 1 1571 . 1 1 151 151 LEU HB3 H 1 1.27 0.03 . 2 . . . . 151 . . . 7122 1 1572 . 1 1 151 151 LEU HD21 H 1 0.79 0.03 . 2 . . . . 151 . . . 7122 1 1573 . 1 1 151 151 LEU HD22 H 1 0.79 0.03 . 2 . . . . 151 . . . 7122 1 1574 . 1 1 151 151 LEU HD23 H 1 0.79 0.03 . 2 . . . . 151 . . . 7122 1 1575 . 1 1 151 151 LEU C C 13 175.1 0.1 . 1 . . . . 151 . . . 7122 1 1576 . 1 1 151 151 LEU CD2 C 13 22.9 0.1 . 2 . . . . 151 . . . 7122 1 1577 . 1 1 151 151 LEU N N 15 116.8 0.1 . 1 . . . . 151 . . . 7122 1 1578 . 1 1 152 152 GLU H H 1 8.28 0.03 . 1 . . . . 152 . . . 7122 1 1579 . 1 1 152 152 GLU HA H 1 3.96 0.03 . 1 . . . . 152 . . . 7122 1 1580 . 1 1 152 152 GLU HB2 H 1 2.07 0.03 . 2 . . . . 152 . . . 7122 1 1581 . 1 1 152 152 GLU HB3 H 1 1.90 0.03 . 2 . . . . 152 . . . 7122 1 1582 . 1 1 152 152 GLU CA C 13 59.0 0.1 . 1 . . . . 152 . . . 7122 1 1583 . 1 1 152 152 GLU CB C 13 29.2 0.1 . 1 . . . . 152 . . . 7122 1 1584 . 1 1 152 152 GLU N N 15 119.1 0.1 . 1 . . . . 152 . . . 7122 1 1585 . 1 1 153 153 ARG H H 1 7.77 0.03 . 1 . . . . 153 . . . 7122 1 1586 . 1 1 153 153 ARG HA H 1 3.82 0.03 . 1 . . . . 153 . . . 7122 1 1587 . 1 1 153 153 ARG HB2 H 1 1.73 0.03 . 2 . . . . 153 . . . 7122 1 1588 . 1 1 153 153 ARG HB3 H 1 1.58 0.03 . 2 . . . . 153 . . . 7122 1 1589 . 1 1 153 153 ARG C C 13 176.6 0.1 . 1 . . . . 153 . . . 7122 1 1590 . 1 1 153 153 ARG CA C 13 57.8 0.1 . 1 . . . . 153 . . . 7122 1 1591 . 1 1 153 153 ARG CB C 13 28.8 0.1 . 1 . . . . 153 . . . 7122 1 1592 . 1 1 153 153 ARG N N 15 119.2 0.1 . 1 . . . . 153 . . . 7122 1 1593 . 1 1 154 154 GLU H H 1 8.19 0.03 . 1 . . . . 154 . . . 7122 1 1594 . 1 1 154 154 GLU HA H 1 3.69 0.03 . 1 . . . . 154 . . . 7122 1 1595 . 1 1 154 154 GLU HB2 H 1 1.70 0.03 . 2 . . . . 154 . . . 7122 1 1596 . 1 1 154 154 GLU C C 13 178.1 0.03 . 1 . . . . 154 . . . 7122 1 1597 . 1 1 154 154 GLU CA C 13 59.8 0.03 . 1 . . . . 154 . . . 7122 1 1598 . 1 1 154 154 GLU CB C 13 28.7 0.03 . 1 . . . . 154 . . . 7122 1 1599 . 1 1 154 154 GLU N N 15 118.6 0.1 . 1 . . . . 154 . . . 7122 1 1600 . 1 1 155 155 ARG H H 1 7.55 0.03 . 1 . . . . 155 . . . 7122 1 1601 . 1 1 155 155 ARG HA H 1 4.06 0.03 . 1 . . . . 155 . . . 7122 1 1602 . 1 1 155 155 ARG HB2 H 1 1.93 0.03 . 2 . . . . 155 . . . 7122 1 1603 . 1 1 155 155 ARG CA C 13 59.0 0.1 . 1 . . . . 155 . . . 7122 1 1604 . 1 1 155 155 ARG CB C 13 29.8 0.1 . 1 . . . . 155 . . . 7122 1 1605 . 1 1 155 155 ARG N N 15 117.1 0.1 . 1 . . . . 155 . . . 7122 1 1606 . 1 1 156 156 LEU H H 1 7.92 0.03 . 1 . . . . 156 . . . 7122 1 1607 . 1 1 156 156 LEU HA H 1 4.15 0.03 . 1 . . . . 156 . . . 7122 1 1608 . 1 1 156 156 LEU HB2 H 1 1.75 0.03 . 2 . . . . 156 . . . 7122 1 1609 . 1 1 156 156 LEU HB3 H 1 1.58 0.03 . 2 . . . . 156 . . . 7122 1 1610 . 1 1 156 156 LEU HD11 H 1 0.87 0.03 . 2 . . . . 156 . . . 7122 1 1611 . 1 1 156 156 LEU HD12 H 1 0.87 0.03 . 2 . . . . 156 . . . 7122 1 1612 . 1 1 156 156 LEU HD13 H 1 0.87 0.03 . 2 . . . . 156 . . . 7122 1 1613 . 1 1 156 156 LEU HD21 H 1 0.88 0.03 . 2 . . . . 156 . . . 7122 1 1614 . 1 1 156 156 LEU HD22 H 1 0.88 0.03 . 2 . . . . 156 . . . 7122 1 1615 . 1 1 156 156 LEU HD23 H 1 0.88 0.03 . 2 . . . . 156 . . . 7122 1 1616 . 1 1 156 156 LEU CD1 C 13 23.2 0.1 . 2 . . . . 156 . . . 7122 1 1617 . 1 1 156 156 LEU CD2 C 13 24.4 0.1 . 2 . . . . 156 . . . 7122 1 1618 . 1 1 156 156 LEU N N 15 118.0 0.1 . 1 . . . . 156 . . . 7122 1 1619 . 1 1 157 157 ASN H H 1 7.97 0.03 . 1 . . . . 157 . . . 7122 1 1620 . 1 1 157 157 ASN HA H 1 4.88 0.03 . 1 . . . . 157 . . . 7122 1 1621 . 1 1 157 157 ASN HB2 H 1 3.20 0.03 . 2 . . . . 157 . . . 7122 1 1622 . 1 1 157 157 ASN HB3 H 1 3.03 0.03 . 2 . . . . 157 . . . 7122 1 1623 . 1 1 157 157 ASN CA C 13 53.63 0.1 . 1 . . . . 157 . . . 7122 1 1624 . 1 1 157 157 ASN CB C 13 38.72 0.1 . 1 . . . . 157 . . . 7122 1 1625 . 1 1 157 157 ASN N N 15 116.24 0.1 . 1 . . . . 157 . . . 7122 1 1626 . 1 1 158 158 MET H H 1 7.86 0.03 . 1 . . . . 158 . . . 7122 1 1627 . 1 1 158 158 MET HA H 1 4.88 0.03 . 1 . . . . 158 . . . 7122 1 1628 . 1 1 158 158 MET HB2 H 1 3.20 0.03 . 2 . . . . 158 . . . 7122 1 1629 . 1 1 158 158 MET HB3 H 1 3.03 0.03 . 2 . . . . 158 . . . 7122 1 1630 . 1 1 158 158 MET CA C 13 56.5 0.1 . 1 . . . . 158 . . . 7122 1 1631 . 1 1 158 158 MET CB C 13 32.3 0.1 . 1 . . . . 158 . . . 7122 1 1632 . 1 1 158 158 MET N N 15 120.1 0.1 . 1 . . . . 158 . . . 7122 1 1633 . 1 1 159 159 VAL H H 1 8.01 0.03 . 1 . . . . 159 . . . 7122 1 1634 . 1 1 159 159 VAL HA H 1 4.24 0.03 . 1 . . . . 159 . . . 7122 1 1635 . 1 1 159 159 VAL HB H 1 2.11 0.03 . 1 . . . . 159 . . . 7122 1 1636 . 1 1 159 159 VAL HG21 H 1 0.91 0.03 . 2 . . . . 159 . . . 7122 1 1637 . 1 1 159 159 VAL HG22 H 1 0.91 0.03 . 2 . . . . 159 . . . 7122 1 1638 . 1 1 159 159 VAL HG23 H 1 0.91 0.03 . 2 . . . . 159 . . . 7122 1 1639 . 1 1 159 159 VAL CA C 13 62.2 0.1 . 1 . . . . 159 . . . 7122 1 1640 . 1 1 159 159 VAL CB C 13 32.7 0.1 . 1 . . . . 159 . . . 7122 1 1641 . 1 1 159 159 VAL CG2 C 13 20.9 0.1 . 2 . . . . 159 . . . 7122 1 1642 . 1 1 159 159 VAL N N 15 120.1 0.1 . 1 . . . . 159 . . . 7122 1 1643 . 1 1 160 160 SER H H 1 7.86 0.03 . 1 . . . . 160 . . . 7122 1 1644 . 1 1 160 160 SER HA H 1 4.32 0.03 . 1 . . . . 160 . . . 7122 1 1645 . 1 1 160 160 SER HB2 H 1 3.88 0.03 . 1 . . . . 160 . . . 7122 1 1646 . 1 1 160 160 SER CA C 13 59.8 0.1 . 1 . . . . 160 . . . 7122 1 1647 . 1 1 160 160 SER CB C 13 65.2 0.1 . 1 . . . . 160 . . . 7122 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 7122 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 7122 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 ILE H . . . . 1 1 2 2 ILE HA . . . 8.1 . . 0.4 . . . . . . . . . . . 7122 1 2 3JHNHA . 1 1 3 3 ILE H . . . . 1 1 3 3 ILE HA . . . 7.5 . . 0.4 . . . . . . . . . . . 7122 1 3 3JHNHA . 1 1 4 4 GLN H . . . . 1 1 4 4 GLN HA . . . 8.5 . . 0.4 . . . . . . . . . . . 7122 1 4 3JHNHA . 1 1 5 5 ILE H . . . . 1 1 5 5 ILE HA . . . 7.5 . . 0.4 . . . . . . . . . . . 7122 1 5 3JHNHA . 1 1 6 6 GLU H . . . . 1 1 6 6 GLU HA . . . 7.1 . . 0.4 . . . . . . . . . . . 7122 1 6 3JHNHA . 1 1 8 8 TYR H . . . . 1 1 8 8 TYR HA . . . 8.0 . . 0.4 . . . . . . . . . . . 7122 1 7 3JHNHA . 1 1 12 12 MET H . . . . 1 1 12 12 MET HA . . . 6.5 . . 0.4 . . . . . . . . . . . 7122 1 8 3JHNHA . 1 1 13 13 ILE H . . . . 1 1 13 13 ILE HA . . . 9.0 . . 0.5 . . . . . . . . . . . 7122 1 9 3JHNHA . 1 1 14 14 PHE H . . . . 1 1 14 14 PHE HA . . . 9.1 . . 0.5 . . . . . . . . . . . 7122 1 10 3JHNHA . 1 1 15 15 LYS H . . . . 1 1 15 15 LYS HA . . . 9.0 . . 0.5 . . . . . . . . . . . 7122 1 11 3JHNHA . 1 1 17 17 ASN H . . . . 1 1 17 17 ASN HA . . . 7.9 . . 0.4 . . . . . . . . . . . 7122 1 12 3JHNHA . 1 1 18 18 GLN H . . . . 1 1 18 18 GLN HA . . . 8.4 . . 0.4 . . . . . . . . . . . 7122 1 13 3JHNHA . 1 1 19 19 LEU H . . . . 1 1 19 19 LEU HA . . . 4.5 . . 0.3 . . . . . . . . . . . 7122 1 14 3JHNHA . 1 1 20 20 VAL H . . . . 1 1 20 20 VAL HA . . . 7.5 . . 0.4 . . . . . . . . . . . 7122 1 15 3JHNHA . 1 1 21 21 ARG H . . . . 1 1 21 21 ARG HA . . . 5.8 . . 0.4 . . . . . . . . . . . 7122 1 16 3JHNHA . 1 1 22 22 ASN H . . . . 1 1 22 22 ASN HA . . . 6.3 . . 0.4 . . . . . . . . . . . 7122 1 17 3JHNHA . 1 1 23 23 THR H . . . . 1 1 23 23 THR HA . . . 7.9 . . 0.4 . . . . . . . . . . . 7122 1 18 3JHNHA . 1 1 26 26 LEU H . . . . 1 1 26 26 LEU HA . . . 8.7 . . 0.5 . . . . . . . . . . . 7122 1 19 3JHNHA . 1 1 27 27 ARG H . . . . 1 1 27 27 ARG HA . . . 6.3 . . 0.4 . . . . . . . . . . . 7122 1 20 3JHNHA . 1 1 29 29 GLU H . . . . 1 1 29 29 GLU HA . . . 4.2 . . 0.3 . . . . . . . . . . . 7122 1 21 3JHNHA . 1 1 30 30 GLU H . . . . 1 1 30 30 GLU HA . . . 9.6 . . 0.5 . . . . . . . . . . . 7122 1 22 3JHNHA . 1 1 33 33 ASN H . . . . 1 1 33 33 ASN HA . . . 7.4 . . 0.4 . . . . . . . . . . . 7122 1 23 3JHNHA . 1 1 34 34 PHE H . . . . 1 1 34 34 PHE HA . . . 7.0 . . 0.4 . . . . . . . . . . . 7122 1 24 3JHNHA . 1 1 35 35 MET H . . . . 1 1 35 35 MET HA . . . 4.9 . . 0.3 . . . . . . . . . . . 7122 1 25 3JHNHA . 1 1 36 36 ASP H . . . . 1 1 36 36 ASP HA . . . 8.3 . . 0.4 . . . . . . . . . . . 7122 1 26 3JHNHA . 1 1 38 38 GLU H . . . . 1 1 38 38 GLU HA . . . 7.3 . . 0.4 . . . . . . . . . . . 7122 1 27 3JHNHA . 1 1 39 39 VAL H . . . . 1 1 39 39 VAL HA . . . 5.9 . . 0.4 . . . . . . . . . . . 7122 1 28 3JHNHA . 1 1 41 41 SER H . . . . 1 1 41 41 SER HA . . . 6.4 . . 0.4 . . . . . . . . . . . 7122 1 29 3JHNHA . 1 1 42 42 ASN H . . . . 1 1 42 42 ASN HA . . . 6.7 . . 0.4 . . . . . . . . . . . 7122 1 30 3JHNHA . 1 1 44 44 GLU H . . . . 1 1 44 44 GLU HA . . . 4.1 . . 0.4 . . . . . . . . . . . 7122 1 31 3JHNHA . 1 1 46 46 GLU H . . . . 1 1 46 46 GLU HA . . . 3.3 . . 0.4 . . . . . . . . . . . 7122 1 32 3JHNHA . 1 1 48 48 LEU H . . . . 1 1 48 48 LEU HA . . . 3.9 . . 0.4 . . . . . . . . . . . 7122 1 33 3JHNHA . 1 1 49 49 LYS H . . . . 1 1 49 49 LYS HA . . . 3.0 . . 0.4 . . . . . . . . . . . 7122 1 34 3JHNHA . 1 1 50 50 VAL H . . . . 1 1 50 50 VAL HA . . . 6.1 . . 0.4 . . . . . . . . . . . 7122 1 35 3JHNHA . 1 1 51 51 ALA H . . . . 1 1 51 51 ALA HA . . . 3.4 . . 0.4 . . . . . . . . . . . 7122 1 36 3JHNHA . 1 1 52 52 GLU H . . . . 1 1 52 52 GLU HA . . . 3.9 . . 0.4 . . . . . . . . . . . 7122 1 37 3JHNHA . 1 1 53 53 ILE H . . . . 1 1 53 53 ILE HA . . . 5.0 . . 0.4 . . . . . . . . . . . 7122 1 38 3JHNHA . 1 1 54 54 ILE H . . . . 1 1 54 54 ILE HA . . . 3.7 . . 0.4 . . . . . . . . . . . 7122 1 39 3JHNHA . 1 1 55 55 LEU H . . . . 1 1 55 55 LEU HA . . . 3.3 . . 0.4 . . . . . . . . . . . 7122 1 40 3JHNHA . 1 1 56 56 LYS H . . . . 1 1 56 56 LYS HA . . . 3.7 . . 0.4 . . . . . . . . . . . 7122 1 41 3JHNHA . 1 1 57 57 LEU H . . . . 1 1 57 57 LEU HA . . . 4.3 . . 0.4 . . . . . . . . . . . 7122 1 42 3JHNHA . 1 1 58 58 TYR H . . . . 1 1 58 58 TYR HA . . . 4.7 . . 0.4 . . . . . . . . . . . 7122 1 43 3JHNHA . 1 1 59 59 PHE H . . . . 1 1 59 59 PHE HA . . . 7.5 . . 0.4 . . . . . . . . . . . 7122 1 44 3JHNHA . 1 1 60 60 ALA H . . . . 1 1 60 60 ALA HA . . . 5.8 . . 0.4 . . . . . . . . . . . 7122 1 45 3JHNHA . 1 1 65 65 LYS H . . . . 1 1 65 65 LYS HA . . . 5.4 . . 0.4 . . . . . . . . . . . 7122 1 46 3JHNHA . 1 1 66 66 LYS H . . . . 1 1 66 66 LYS HA . . . 6.7 . . 0.4 . . . . . . . . . . . 7122 1 47 3JHNHA . 1 1 67 67 VAL H . . . . 1 1 67 67 VAL HA . . . 3.7 . . 0.4 . . . . . . . . . . . 7122 1 48 3JHNHA . 1 1 70 70 LEU H . . . . 1 1 70 70 LEU HA . . . 6.4 . . 0.4 . . . . . . . . . . . 7122 1 49 3JHNHA . 1 1 71 71 ILE H . . . . 1 1 71 71 ILE HA . . . 8.5 . . 0.4 . . . . . . . . . . . 7122 1 50 3JHNHA . 1 1 73 73 TYR H . . . . 1 1 73 73 TYR HA . . . 7.6 . . 0.4 . . . . . . . . . . . 7122 1 51 3JHNHA . 1 1 74 74 LYS H . . . . 1 1 74 74 LYS HA . . . 8.4 . . 0.4 . . . . . . . . . . . 7122 1 52 3JHNHA . 1 1 75 75 LEU H . . . . 1 1 75 75 LEU HA . . . 8.5 . . 0.4 . . . . . . . . . . . 7122 1 53 3JHNHA . 1 1 77 77 VAL H . . . . 1 1 77 77 VAL HA . . . 8.2 . . 0.4 . . . . . . . . . . . 7122 1 54 3JHNHA . 1 1 80 80 PHE H . . . . 1 1 80 80 PHE HA . . . 3.7 . . 0.4 . . . . . . . . . . . 7122 1 55 3JHNHA . 1 1 81 81 THR H . . . . 1 1 81 81 THR HA . . . 4.6 . . 0.4 . . . . . . . . . . . 7122 1 56 3JHNHA . 1 1 82 82 LYS H . . . . 1 1 82 82 LYS HA . . . 4.3 . . 0.4 . . . . . . . . . . . 7122 1 57 3JHNHA . 1 1 83 83 LYS H . . . . 1 1 83 83 LYS HA . . . 3.9 . . 0.4 . . . . . . . . . . . 7122 1 58 3JHNHA . 1 1 85 85 LEU H . . . . 1 1 85 85 LEU HA . . . 4.2 . . 0.4 . . . . . . . . . . . 7122 1 59 3JHNHA . 1 1 86 86 ASP H . . . . 1 1 86 86 ASP HA . . . 4.0 . . 0.4 . . . . . . . . . . . 7122 1 60 3JHNHA . 1 1 87 87 ILE H . . . . 1 1 87 87 ILE HA . . . 6.3 . . 0.4 . . . . . . . . . . . 7122 1 61 3JHNHA . 1 1 89 89 LYS H . . . . 1 1 89 89 LYS HA . . . 2.8 . . 0.4 . . . . . . . . . . . 7122 1 62 3JHNHA . 1 1 90 90 ASP H . . . . 1 1 90 90 ASP HA . . . 9.4 . . 0.4 . . . . . . . . . . . 7122 1 63 3JHNHA . 1 1 91 91 ILE H . . . . 1 1 91 91 ILE HA . . . 6.1 . . 0.4 . . . . . . . . . . . 7122 1 64 3JHNHA . 1 1 95 95 LYS H . . . . 1 1 95 95 LYS HA . . . 9.8 . . 0.4 . . . . . . . . . . . 7122 1 65 3JHNHA . 1 1 96 96 THR H . . . . 1 1 96 96 THR HA . . . 7.5 . . 0.4 . . . . . . . . . . . 7122 1 66 3JHNHA . 1 1 97 97 LEU H . . . . 1 1 97 97 LEU HA . . . 7.7 . . 0.4 . . . . . . . . . . . 7122 1 67 3JHNHA . 1 1 98 98 THR H . . . . 1 1 98 98 THR HA . . . 8.5 . . 0.4 . . . . . . . . . . . 7122 1 68 3JHNHA . 1 1 101 101 ASP H . . . . 1 1 101 101 ASP HA . . . 4.3 . . 0.4 . . . . . . . . . . . 7122 1 69 3JHNHA . 1 1 102 102 ILE H . . . . 1 1 102 102 ILE HA . . . 5.5 . . 0.4 . . . . . . . . . . . 7122 1 70 3JHNHA . 1 1 104 104 LYS H . . . . 1 1 104 104 LYS HA . . . 3.6 . . 0.4 . . . . . . . . . . . 7122 1 71 3JHNHA . 1 1 105 105 LYS H . . . . 1 1 105 105 LYS HA . . . 5.5 . . 0.4 . . . . . . . . . . . 7122 1 72 3JHNHA . 1 1 106 106 LEU H . . . . 1 1 106 106 LEU HA . . . 7.9 . . 0.4 . . . . . . . . . . . 7122 1 73 3JHNHA . 1 1 107 107 ASN H . . . . 1 1 107 107 ASN HA . . . 5.6 . . 0.4 . . . . . . . . . . . 7122 1 74 3JHNHA . 1 1 108 108 THR H . . . . 1 1 108 108 THR HA . . . 9.0 . . 0.4 . . . . . . . . . . . 7122 1 75 3JHNHA . 1 1 109 109 SER H . . . . 1 1 109 109 SER HA . . . 8.0 . . 0.4 . . . . . . . . . . . 7122 1 76 3JHNHA . 1 1 111 111 ARG H . . . . 1 1 111 111 ARG HA . . . 6.2 . . 0.4 . . . . . . . . . . . 7122 1 77 3JHNHA . 1 1 112 112 ALA H . . . . 1 1 112 112 ALA HA . . . 5.1 . . 0.4 . . . . . . . . . . . 7122 1 78 3JHNHA . 1 1 113 113 VAL H . . . . 1 1 113 113 VAL HA . . . 5.0 . . 0.4 . . . . . . . . . . . 7122 1 79 3JHNHA . 1 1 115 115 MET H . . . . 1 1 115 115 MET HA . . . 3.5 . . 0.4 . . . . . . . . . . . 7122 1 80 3JHNHA . 1 1 116 116 ALA H . . . . 1 1 116 116 ALA HA . . . 4.4 . . 0.4 . . . . . . . . . . . 7122 1 81 3JHNHA . 1 1 117 117 LEU H . . . . 1 1 117 117 LEU HA . . . 3.4 . . 0.4 . . . . . . . . . . . 7122 1 82 3JHNHA . 1 1 118 118 LYS H . . . . 1 1 118 118 LYS HA . . . 5.0 . . 0.4 . . . . . . . . . . . 7122 1 83 3JHNHA . 1 1 119 119 ARG H . . . . 1 1 119 119 ARG HA . . . 8.9 . . 0.4 . . . . . . . . . . . 7122 1 84 3JHNHA . 1 1 120 120 ASN H . . . . 1 1 120 120 ASN HA . . . 3.3 . . 0.4 . . . . . . . . . . . 7122 1 85 3JHNHA . 1 1 125 125 ILE H . . . . 1 1 125 125 ILE HA . . . 3.7 . . 0.4 . . . . . . . . . . . 7122 1 86 3JHNHA . 1 1 126 126 ILE H . . . . 1 1 126 126 ILE HA . . . 7.1 . . 0.4 . . . . . . . . . . . 7122 1 87 3JHNHA . 1 1 128 128 CYS H . . . . 1 1 128 128 CYS HA . . . 3.4 . . 0.4 . . . . . . . . . . . 7122 1 88 3JHNHA . 1 1 129 129 HIS H . . . . 1 1 129 129 HIS HA . . . 4.5 . . 0.4 . . . . . . . . . . . 7122 1 89 3JHNHA . 1 1 130 130 ARG H . . . . 1 1 130 130 ARG HA . . . 6.7 . . 0.4 . . . . . . . . . . . 7122 1 90 3JHNHA . 1 1 132 132 VAL H . . . . 1 1 132 132 VAL HA . . . 8.9 . . 0.4 . . . . . . . . . . . 7122 1 91 3JHNHA . 1 1 133 133 ALA H . . . . 1 1 133 133 ALA HA . . . 7.3 . . 0.4 . . . . . . . . . . . 7122 1 92 3JHNHA . 1 1 134 134 LYS H . . . . 1 1 134 134 LYS HA . . . 2.8 . . 0.4 . . . . . . . . . . . 7122 1 93 3JHNHA . 1 1 136 136 SER H . . . . 1 1 136 136 SER HA . . . 5.3 . . 0.4 . . . . . . . . . . . 7122 1 94 3JHNHA . 1 1 142 142 TYR H . . . . 1 1 142 142 TYR HA . . . 8.4 . . 0.4 . . . . . . . . . . . 7122 1 95 3JHNHA . 1 1 145 145 ASP H . . . . 1 1 145 145 ASP HA . . . 4.7 . . 0.4 . . . . . . . . . . . 7122 1 96 3JHNHA . 1 1 146 146 LYS H . . . . 1 1 146 146 LYS HA . . . 5.3 . . 0.4 . . . . . . . . . . . 7122 1 97 3JHNHA . 1 1 147 147 LYS H . . . . 1 1 147 147 LYS HA . . . 4.0 . . 0.4 . . . . . . . . . . . 7122 1 98 3JHNHA . 1 1 148 148 LYS H . . . . 1 1 148 148 LYS HA . . . 4.6 . . 0.4 . . . . . . . . . . . 7122 1 99 3JHNHA . 1 1 149 149 PHE H . . . . 1 1 149 149 PHE HA . . . 3.3 . . 0.4 . . . . . . . . . . . 7122 1 100 3JHNHA . 1 1 153 153 ARG H . . . . 1 1 153 153 ARG HA . . . 3.9 . . 0.4 . . . . . . . . . . . 7122 1 101 3JHNHA . 1 1 155 155 ARG H . . . . 1 1 155 155 ARG HA . . . 3.5 . . 0.4 . . . . . . . . . . . 7122 1 stop_ save_