data_28118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28118 _Entry.Title ; 1H, 13C, 15N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme nitric oxide/oxygen binding (H-NOX) domain in complex with cinaciguat ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-05 _Entry.Accession_date 2020-05-05 _Entry.Last_release_date 2020-05-05 _Entry.Original_release_date 2020-05-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Georgios Dalkas . . . . 28118 2 Aikaterini Argyriou . I. . . 28118 3 Garyfallia Makrynitsa . I. . . 28118 4 Dimitra Georgopoulou . . . . 28118 5 Georgios Spyroulias . A. . . 28118 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department pf Pharmacy, University of Patras' . 28118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 676 28118 '15N chemical shifts' 169 28118 '1H chemical shifts' 1029 28118 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-16 . original BMRB . 28118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26048 ; 1H, 13C, 15N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme nitric oxide/oxygen binding (H-NOX) domain ; 28118 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28118 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33128204 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and side chain NMR assignments of the H-NOX domain from Nostoc sp. in complex with BAY58-2667 (cinaciguat) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 53 _Citation.Page_last 57 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Garyfallia Makrynitsa G. I. . . 28118 1 2 Aikaterini Argyriou A. I. . . 28118 1 3 Georgios Dalkas G. . . . 28118 1 4 Dimitra Georgopoulou D. A. . . 28118 1 5 Marina Bantzi M. . . . 28118 1 6 Athanassios Giannis A. . . . 28118 1 7 Andreas Papapetropoulos A. . . . 28118 1 8 Georgios Spyroulias G. A. . . 28118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28118 _Assembly.ID 1 _Assembly.Name 'Ns H-NOX/cinaciguat' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'H-NOX monomer' 1 $Nostoc_sp_C139A_H-NOX A . yes native no no . . . 28118 1 2 'cinaciguat (BAY58-2667)' 2 $entity_Z90 B . no native no no . . . 28118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nostoc_sp_C139A_H-NOX _Entity.Sf_category entity _Entity.Sf_framecode Nostoc_sp_C139A_H-NOX _Entity.Entry_ID 28118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nostoc_sp_C139A_H-NOX _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 ; MYGLVNKAIQDMISKHHGED TWEAIKQKAGLEDIDFFVGM EAYSDDVTYHLVGAASEVLG KPAEELLIAFGEYWVTYTSE EGYGELLASAGDSLPEFMEN LDNLHARVGLSFPQLRPPAF ECQHTSSKSMELHYQSTRAG LAPMVLGLLHGLGKRFQTKV EVTQTAFRETGEDHDIFSIK YED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C139A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UniProt Q8YUQ7 . . . . . . . . . . . . . . . . 28118 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28118 1 2 . TYR . 28118 1 3 . GLY . 28118 1 4 . LEU . 28118 1 5 . VAL . 28118 1 6 . ASN . 28118 1 7 . LYS . 28118 1 8 . ALA . 28118 1 9 . ILE . 28118 1 10 . GLN . 28118 1 11 . ASP . 28118 1 12 . MET . 28118 1 13 . ILE . 28118 1 14 . SER . 28118 1 15 . LYS . 28118 1 16 . HIS . 28118 1 17 . HIS . 28118 1 18 . GLY . 28118 1 19 . GLU . 28118 1 20 . ASP . 28118 1 21 . THR . 28118 1 22 . TRP . 28118 1 23 . GLU . 28118 1 24 . ALA . 28118 1 25 . ILE . 28118 1 26 . LYS . 28118 1 27 . GLN . 28118 1 28 . LYS . 28118 1 29 . ALA . 28118 1 30 . GLY . 28118 1 31 . LEU . 28118 1 32 . GLU . 28118 1 33 . ASP . 28118 1 34 . ILE . 28118 1 35 . ASP . 28118 1 36 . PHE . 28118 1 37 . PHE . 28118 1 38 . VAL . 28118 1 39 . GLY . 28118 1 40 . MET . 28118 1 41 . GLU . 28118 1 42 . ALA . 28118 1 43 . TYR . 28118 1 44 . SER . 28118 1 45 . ASP . 28118 1 46 . ASP . 28118 1 47 . VAL . 28118 1 48 . THR . 28118 1 49 . TYR . 28118 1 50 . HIS . 28118 1 51 . LEU . 28118 1 52 . VAL . 28118 1 53 . GLY . 28118 1 54 . ALA . 28118 1 55 . ALA . 28118 1 56 . SER . 28118 1 57 . GLU . 28118 1 58 . VAL . 28118 1 59 . LEU . 28118 1 60 . GLY . 28118 1 61 . LYS . 28118 1 62 . PRO . 28118 1 63 . ALA . 28118 1 64 . GLU . 28118 1 65 . GLU . 28118 1 66 . LEU . 28118 1 67 . LEU . 28118 1 68 . ILE . 28118 1 69 . ALA . 28118 1 70 . PHE . 28118 1 71 . GLY . 28118 1 72 . GLU . 28118 1 73 . TYR . 28118 1 74 . TRP . 28118 1 75 . VAL . 28118 1 76 . THR . 28118 1 77 . TYR . 28118 1 78 . THR . 28118 1 79 . SER . 28118 1 80 . GLU . 28118 1 81 . GLU . 28118 1 82 . GLY . 28118 1 83 . TYR . 28118 1 84 . GLY . 28118 1 85 . GLU . 28118 1 86 . LEU . 28118 1 87 . LEU . 28118 1 88 . ALA . 28118 1 89 . SER . 28118 1 90 . ALA . 28118 1 91 . GLY . 28118 1 92 . ASP . 28118 1 93 . SER . 28118 1 94 . LEU . 28118 1 95 . PRO . 28118 1 96 . GLU . 28118 1 97 . PHE . 28118 1 98 . MET . 28118 1 99 . GLU . 28118 1 100 . ASN . 28118 1 101 . LEU . 28118 1 102 . ASP . 28118 1 103 . ASN . 28118 1 104 . LEU . 28118 1 105 . HIS . 28118 1 106 . ALA . 28118 1 107 . ARG . 28118 1 108 . VAL . 28118 1 109 . GLY . 28118 1 110 . LEU . 28118 1 111 . SER . 28118 1 112 . PHE . 28118 1 113 . PRO . 28118 1 114 . GLN . 28118 1 115 . LEU . 28118 1 116 . ARG . 28118 1 117 . PRO . 28118 1 118 . PRO . 28118 1 119 . ALA . 28118 1 120 . PHE . 28118 1 121 . GLU . 28118 1 122 . CYS . 28118 1 123 . GLN . 28118 1 124 . HIS . 28118 1 125 . THR . 28118 1 126 . SER . 28118 1 127 . SER . 28118 1 128 . LYS . 28118 1 129 . SER . 28118 1 130 . MET . 28118 1 131 . GLU . 28118 1 132 . LEU . 28118 1 133 . HIS . 28118 1 134 . TYR . 28118 1 135 . GLN . 28118 1 136 . SER . 28118 1 137 . THR . 28118 1 138 . ARG . 28118 1 139 . ALA . 28118 1 140 . GLY . 28118 1 141 . LEU . 28118 1 142 . ALA . 28118 1 143 . PRO . 28118 1 144 . MET . 28118 1 145 . VAL . 28118 1 146 . LEU . 28118 1 147 . GLY . 28118 1 148 . LEU . 28118 1 149 . LEU . 28118 1 150 . HIS . 28118 1 151 . GLY . 28118 1 152 . LEU . 28118 1 153 . GLY . 28118 1 154 . LYS . 28118 1 155 . ARG . 28118 1 156 . PHE . 28118 1 157 . GLN . 28118 1 158 . THR . 28118 1 159 . LYS . 28118 1 160 . VAL . 28118 1 161 . GLU . 28118 1 162 . VAL . 28118 1 163 . THR . 28118 1 164 . GLN . 28118 1 165 . THR . 28118 1 166 . ALA . 28118 1 167 . PHE . 28118 1 168 . ARG . 28118 1 169 . GLU . 28118 1 170 . THR . 28118 1 171 . GLY . 28118 1 172 . GLU . 28118 1 173 . ASP . 28118 1 174 . HIS . 28118 1 175 . ASP . 28118 1 176 . ILE . 28118 1 177 . PHE . 28118 1 178 . SER . 28118 1 179 . ILE . 28118 1 180 . LYS . 28118 1 181 . TYR . 28118 1 182 . GLU . 28118 1 183 . ASP . 28118 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 28118 1 . TYR 2 2 28118 1 . GLY 3 3 28118 1 . LEU 4 4 28118 1 . VAL 5 5 28118 1 . ASN 6 6 28118 1 . LYS 7 7 28118 1 . ALA 8 8 28118 1 . ILE 9 9 28118 1 . GLN 10 10 28118 1 . ASP 11 11 28118 1 . MET 12 12 28118 1 . ILE 13 13 28118 1 . SER 14 14 28118 1 . LYS 15 15 28118 1 . HIS 16 16 28118 1 . HIS 17 17 28118 1 . GLY 18 18 28118 1 . GLU 19 19 28118 1 . ASP 20 20 28118 1 . THR 21 21 28118 1 . TRP 22 22 28118 1 . GLU 23 23 28118 1 . ALA 24 24 28118 1 . ILE 25 25 28118 1 . LYS 26 26 28118 1 . GLN 27 27 28118 1 . LYS 28 28 28118 1 . ALA 29 29 28118 1 . GLY 30 30 28118 1 . LEU 31 31 28118 1 . GLU 32 32 28118 1 . ASP 33 33 28118 1 . ILE 34 34 28118 1 . ASP 35 35 28118 1 . PHE 36 36 28118 1 . PHE 37 37 28118 1 . VAL 38 38 28118 1 . GLY 39 39 28118 1 . MET 40 40 28118 1 . GLU 41 41 28118 1 . ALA 42 42 28118 1 . TYR 43 43 28118 1 . SER 44 44 28118 1 . ASP 45 45 28118 1 . ASP 46 46 28118 1 . VAL 47 47 28118 1 . THR 48 48 28118 1 . TYR 49 49 28118 1 . HIS 50 50 28118 1 . LEU 51 51 28118 1 . VAL 52 52 28118 1 . GLY 53 53 28118 1 . ALA 54 54 28118 1 . ALA 55 55 28118 1 . SER 56 56 28118 1 . GLU 57 57 28118 1 . VAL 58 58 28118 1 . LEU 59 59 28118 1 . GLY 60 60 28118 1 . LYS 61 61 28118 1 . PRO 62 62 28118 1 . ALA 63 63 28118 1 . GLU 64 64 28118 1 . GLU 65 65 28118 1 . LEU 66 66 28118 1 . LEU 67 67 28118 1 . ILE 68 68 28118 1 . ALA 69 69 28118 1 . PHE 70 70 28118 1 . GLY 71 71 28118 1 . GLU 72 72 28118 1 . TYR 73 73 28118 1 . TRP 74 74 28118 1 . VAL 75 75 28118 1 . THR 76 76 28118 1 . TYR 77 77 28118 1 . THR 78 78 28118 1 . SER 79 79 28118 1 . GLU 80 80 28118 1 . GLU 81 81 28118 1 . GLY 82 82 28118 1 . TYR 83 83 28118 1 . GLY 84 84 28118 1 . GLU 85 85 28118 1 . LEU 86 86 28118 1 . LEU 87 87 28118 1 . ALA 88 88 28118 1 . SER 89 89 28118 1 . ALA 90 90 28118 1 . GLY 91 91 28118 1 . ASP 92 92 28118 1 . SER 93 93 28118 1 . LEU 94 94 28118 1 . PRO 95 95 28118 1 . GLU 96 96 28118 1 . PHE 97 97 28118 1 . MET 98 98 28118 1 . GLU 99 99 28118 1 . ASN 100 100 28118 1 . LEU 101 101 28118 1 . ASP 102 102 28118 1 . ASN 103 103 28118 1 . LEU 104 104 28118 1 . HIS 105 105 28118 1 . ALA 106 106 28118 1 . ARG 107 107 28118 1 . VAL 108 108 28118 1 . GLY 109 109 28118 1 . LEU 110 110 28118 1 . SER 111 111 28118 1 . PHE 112 112 28118 1 . PRO 113 113 28118 1 . GLN 114 114 28118 1 . LEU 115 115 28118 1 . ARG 116 116 28118 1 . PRO 117 117 28118 1 . PRO 118 118 28118 1 . ALA 119 119 28118 1 . PHE 120 120 28118 1 . GLU 121 121 28118 1 . CYS 122 122 28118 1 . GLN 123 123 28118 1 . HIS 124 124 28118 1 . THR 125 125 28118 1 . SER 126 126 28118 1 . SER 127 127 28118 1 . LYS 128 128 28118 1 . SER 129 129 28118 1 . MET 130 130 28118 1 . GLU 131 131 28118 1 . LEU 132 132 28118 1 . HIS 133 133 28118 1 . TYR 134 134 28118 1 . GLN 135 135 28118 1 . SER 136 136 28118 1 . THR 137 137 28118 1 . ARG 138 138 28118 1 . ALA 139 139 28118 1 . GLY 140 140 28118 1 . LEU 141 141 28118 1 . ALA 142 142 28118 1 . PRO 143 143 28118 1 . MET 144 144 28118 1 . VAL 145 145 28118 1 . LEU 146 146 28118 1 . GLY 147 147 28118 1 . LEU 148 148 28118 1 . LEU 149 149 28118 1 . HIS 150 150 28118 1 . GLY 151 151 28118 1 . LEU 152 152 28118 1 . GLY 153 153 28118 1 . LYS 154 154 28118 1 . ARG 155 155 28118 1 . PHE 156 156 28118 1 . GLN 157 157 28118 1 . THR 158 158 28118 1 . LYS 159 159 28118 1 . VAL 160 160 28118 1 . GLU 161 161 28118 1 . VAL 162 162 28118 1 . THR 163 163 28118 1 . GLN 164 164 28118 1 . THR 165 165 28118 1 . ALA 166 166 28118 1 . PHE 167 167 28118 1 . ARG 168 168 28118 1 . GLU 169 169 28118 1 . THR 170 170 28118 1 . GLY 171 171 28118 1 . GLU 172 172 28118 1 . ASP 173 173 28118 1 . HIS 174 174 28118 1 . ASP 175 175 28118 1 . ILE 176 176 28118 1 . PHE 177 177 28118 1 . SER 178 178 28118 1 . ILE 179 179 28118 1 . LYS 180 180 28118 1 . TYR 181 181 28118 1 . GLU 182 182 28118 1 . ASP 183 183 28118 1 stop_ save_ save_entity_Z90 _Entity.Sf_category entity _Entity.Sf_framecode entity_Z90 _Entity.Entry_ID 28118 _Entity.ID 2 _Entity.BMRB_code Z90 _Entity.Name entity_Z90 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 Z90 _Entity.Nonpolymer_comp_label $chem_comp_Z90 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 565.699 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid' BMRB 28118 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid' BMRB 28118 2 Z90 'Three letter code' 28118 2 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 Z90 $chem_comp_Z90 28118 2 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 28118 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nostoc_sp_C139A_H-NOX . 1180 organism . 'cyanobacterium Nostoc sp.' 'Nostoc sp.' . . Bacteria . Nostoc 'Nostoc sp.' . . . . . . . . . . . . . 28118 1 2 2 $entity_Z90 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 28118 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 28118 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nostoc_sp_C139A_H-NOX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) STAR' . . . . . pet22b(+) . . . 28118 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_Z90 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_Z90 _Chem_comp.Entry_ID 28118 _Chem_comp.ID Z90 _Chem_comp.Provenance PDB _Chem_comp.Name '4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code Z90 _Chem_comp.PDB_code Z90 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code Z90 _Chem_comp.Number_atoms_all 81 _Chem_comp.Number_atoms_nh 42 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms '4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C36 H39 N O5' _Chem_comp.Formula_weight 565.699 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3L6J _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) ; InChI InChI 1.03 28118 Z90 OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O SMILES CACTVS 3.352 28118 Z90 OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O SMILES_CANONICAL CACTVS 3.352 28118 Z90 WPYWMXNXEZFMAK-UHFFFAOYSA-N InChIKey InChI 1.03 28118 Z90 c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CCN(CCCCC(=O)O)Cc4ccc(cc4)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 28118 Z90 c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 28118 Z90 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 28118 Z90 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OAA OAA OAA OAA . O . . N 0 . . . 1 no no . . . . 4.875 . 24.712 . 74.021 . -1.618 -6.383 2.616 1 . 28118 Z90 OAB OAB OAB OAB . O . . N 0 . . . 1 no no . . . . 1.855 . 20.987 . 77.070 . 9.375 -1.894 -1.056 2 . 28118 Z90 OAC OAC OAC OAC . O . . N 0 . . . 1 no no . . . . 5.763 . 26.234 . 72.683 . -2.359 -4.337 2.233 3 . 28118 Z90 OAD OAD OAD OAD . O . . N 0 . . . 1 no no . . . . 2.863 . 19.097 . 77.541 . 9.266 0.016 -2.181 4 . 28118 Z90 CAE CAE CAE CAE . C . . N 0 . . . 1 yes no . . . . 0.634 . 12.369 . 76.275 . -10.157 -1.327 -1.749 5 . 28118 Z90 CAF CAF CAF CAF . C . . N 0 . . . 1 yes no . . . . 0.351 . 11.801 . 75.038 . -9.915 -0.909 -0.454 6 . 28118 Z90 CAG CAG CAG CAG . C . . N 0 . . . 1 yes no . . . . 1.127 . 13.665 . 76.338 . -9.307 -0.942 -2.770 7 . 28118 Z90 CAH CAH CAH CAH . C . . N 0 . . . 1 yes no . . . . 4.527 . 21.066 . 64.973 . 3.644 4.748 1.793 8 . 28118 Z90 CAI CAI CAI CAI . C . . N 0 . . . 1 yes no . . . . 4.529 . 19.933 . 64.170 . 2.516 5.484 1.483 9 . 28118 Z90 CAJ CAJ CAJ CAJ . C . . N 0 . . . 1 yes no . . . . 0.575 . 12.528 . 73.873 . -8.826 -0.104 -0.179 10 . 28118 Z90 CAK CAK CAK CAK . C . . N 0 . . . 1 yes no . . . . 1.360 . 14.397 . 75.176 . -8.221 -0.132 -2.496 11 . 28118 Z90 CAL CAL CAL CAL . C . . N 0 . . . 1 yes no . . . . 4.243 . 20.959 . 66.336 . 3.591 3.366 1.801 12 . 28118 Z90 CAM CAM CAM CAM . C . . N 0 . . . 1 yes no . . . . 4.244 . 18.692 . 64.743 . 1.331 4.840 1.181 13 . 28118 Z90 CAN CAN CAN CAN . C . . N 0 . . . 1 yes no . . . . 2.010 . 13.927 . 68.978 . -4.151 1.583 1.024 14 . 28118 Z90 CAO CAO CAO CAO . C . . N 0 . . . 1 yes no . . . . 1.563 . 15.934 . 70.257 . -3.543 1.550 -1.291 15 . 28118 Z90 CAP CAP CAP CAP . C . . N 0 . . . 1 yes no . . . . 2.222 . 14.710 . 67.843 . -3.058 2.384 1.300 16 . 28118 Z90 CAQ CAQ CAQ CAQ . C . . N 0 . . . 1 yes no . . . . 1.768 . 16.711 . 69.121 . -2.447 2.347 -1.015 17 . 28118 Z90 CAR CAR CAR CAR . C . . N 0 . . . 1 yes no . . . . 3.925 . 18.437 . 73.553 . 5.236 -2.246 -0.715 18 . 28118 Z90 CAS CAS CAS CAS . C . . N 0 . . . 1 yes no . . . . 2.665 . 20.402 . 72.928 . 5.047 -0.188 -1.936 19 . 28118 Z90 CAT CAT CAT CAT . C . . N 0 . . . 1 yes no . . . . 3.604 . 18.658 . 74.890 . 6.611 -2.178 -0.799 20 . 28118 Z90 CAU CAU CAU CAU . C . . N 0 . . . 1 yes no . . . . 2.341 . 20.620 . 74.268 . 6.421 -0.102 -2.019 21 . 28118 Z90 CAV CAV CAV CAV . C . . N 0 . . . 1 no no . . . . 6.444 . 22.950 . 72.117 . -0.145 -3.190 1.334 22 . 28118 Z90 CAW CAW CAW CAW . C . . N 0 . . . 1 no no . . . . 6.347 . 21.870 . 71.045 . 1.232 -2.733 0.847 23 . 28118 Z90 CAX CAX CAX CAX . C . . N 0 . . . 1 no no . . . . 5.479 . 24.079 . 71.792 . -0.080 -4.666 1.733 24 . 28118 Z90 CAY CAY CAY CAY . C . . N 0 . . . 1 no no . . . . 1.339 . 14.616 . 72.668 . -6.790 1.161 -0.900 25 . 28118 Z90 CAZ CAZ CAZ CAZ . C . . N 0 . . . 1 no no . . . . 1.457 . 13.705 . 71.444 . -5.579 0.286 -0.570 26 . 28118 Z90 CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 3.654 . 19.713 . 68.440 . 2.351 1.212 1.514 27 . 28118 Z90 CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 5.708 . 20.602 . 71.593 . 1.167 -1.257 0.448 28 . 28118 Z90 CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 4.564 . 20.592 . 69.327 . 2.571 0.684 0.095 29 . 28118 Z90 CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 2.316 . 16.888 . 66.793 . -1.016 3.639 0.580 30 . 28118 Z90 CBE CBE CBE CBE . C . . N 0 . . . 1 no no . . . . 3.832 . 19.034 . 71.109 . 2.953 -1.335 -1.185 31 . 28118 Z90 OBF OBF OBF OBF . O . . N 0 . . . 1 no no . . . . 3.690 . 17.331 . 66.604 . 0.112 2.818 0.891 32 . 28118 Z90 CBG CBG CBG CBG . C . . N 0 . . . 1 no no . . . . 5.366 . 25.089 . 72.936 . -1.436 -5.116 2.212 33 . 28118 Z90 CBH CBH CBH CBH . C . . N 0 . . . 1 no no . . . . 2.469 . 19.956 . 76.731 . 8.687 -1.023 -1.548 34 . 28118 Z90 CBI CBI CBI CBI . C . . N 0 . . . 1 yes no . . . . 1.084 . 13.823 . 73.940 . -7.977 0.282 -1.200 35 . 28118 Z90 CBJ CBJ CBJ CBJ . C . . N 0 . . . 1 yes no . . . . 1.682 . 14.543 . 70.186 . -4.391 1.164 -0.271 36 . 28118 Z90 CBK CBK CBK CBK . C . . N 0 . . . 1 yes no . . . . 2.091 . 16.099 . 67.914 . -2.206 2.766 0.280 37 . 28118 Z90 CBL CBL CBL CBL . C . . N 0 . . . 1 yes no . . . . 3.467 . 19.310 . 72.573 . 4.455 -1.254 -1.281 38 . 28118 Z90 CBM CBM CBM CBM . C . . N 0 . . . 1 yes no . . . . 2.801 . 19.737 . 75.249 . 7.215 -1.102 -1.454 39 . 28118 Z90 CBN CBN CBN CBN . C . . N 0 . . . 1 yes no . . . . 3.959 . 19.727 . 66.926 . 2.408 2.718 1.505 40 . 28118 Z90 CBO CBO CBO CBO . C . . N 0 . . . 1 yes no . . . . 3.942 . 18.584 . 66.102 . 1.275 3.454 1.188 41 . 28118 Z90 NBP NBP NBP NBP . N . . N 0 . . . 1 no no . . . . 4.928 . 19.868 . 70.569 . 2.515 -0.784 0.104 42 . 28118 Z90 HOAA HOAA HOAA HOAA . H . . N 0 . . . 0 no no . . . . 4.851 . 25.442 . 74.629 . -2.505 -6.625 2.916 43 . 28118 Z90 HOAD HOAD HOAD HOAD . H . . N 0 . . . 0 no no . . . . 2.622 . 19.358 . 78.422 . 10.233 0.025 -2.217 44 . 28118 Z90 HAE HAE HAE HAE . H . . N 0 . . . 1 no no . . . . 0.471 . 11.805 . 77.182 . -11.006 -1.959 -1.963 45 . 28118 Z90 HAF HAF HAF HAF . H . . N 0 . . . 1 no no . . . . -0.042 . 10.797 . 74.981 . -10.579 -1.210 0.343 46 . 28118 Z90 HAG HAG HAG HAG . H . . N 0 . . . 1 no no . . . . 1.332 . 14.111 . 77.300 . -9.493 -1.273 -3.781 47 . 28118 Z90 HAH HAH HAH HAH . H . . N 0 . . . 1 no no . . . . 4.746 . 22.032 . 64.542 . 4.570 5.253 2.024 48 . 28118 Z90 HAI HAI HAI HAI . H . . N 0 . . . 1 no no . . . . 4.748 . 20.011 . 63.115 . 2.560 6.563 1.477 49 . 28118 Z90 HAJ HAJ HAJ HAJ . H . . N 0 . . . 1 no no . . . . 0.353 . 12.086 . 72.913 . -8.638 0.223 0.832 50 . 28118 Z90 HAK HAK HAK HAK . H . . N 0 . . . 1 no no . . . . 1.752 . 15.402 . 75.235 . -7.558 0.170 -3.293 51 . 28118 Z90 HAL HAL HAL HAL . H . . N 0 . . . 1 no no . . . . 4.243 . 21.850 . 66.947 . 4.475 2.794 2.040 52 . 28118 Z90 HAM HAM HAM HAM . H . . N 0 . . . 1 no no . . . . 4.257 . 17.805 . 64.127 . 0.449 5.415 0.939 53 . 28118 Z90 HAN HAN HAN HAN . H . . N 0 . . . 1 no no . . . . 2.099 . 12.852 . 68.922 . -4.814 1.281 1.821 54 . 28118 Z90 HAO HAO HAO HAO . H . . N 0 . . . 1 no no . . . . 1.312 . 16.406 . 71.195 . -3.731 1.223 -2.303 55 . 28118 Z90 HAP HAP HAP HAP . H . . N 0 . . . 1 no no . . . . 2.488 . 14.241 . 66.907 . -2.870 2.712 2.312 56 . 28118 Z90 HAQ HAQ HAQ HAQ . H . . N 0 . . . 1 no no . . . . 1.677 . 17.786 . 69.176 . -1.779 2.641 -1.811 57 . 28118 Z90 HAR HAR HAR HAR . H . . N 0 . . . 1 no no . . . . 4.531 . 17.586 . 73.277 . 4.768 -3.077 -0.209 58 . 28118 Z90 HAS HAS HAS HAS . H . . N 0 . . . 1 no no . . . . 2.298 . 21.074 . 72.166 . 4.431 0.585 -2.372 59 . 28118 Z90 HAT HAT HAT HAT . H . . N 0 . . . 1 no no . . . . 3.979 . 17.990 . 75.651 . 7.220 -2.955 -0.360 60 . 28118 Z90 HAU HAU HAU HAU . H . . N 0 . . . 1 no no . . . . 1.736 . 21.470 . 74.547 . 6.882 0.737 -2.520 61 . 28118 Z90 HAV HAV HAV HAV . H . . N 0 . . . 1 no no . . . . 6.186 . 22.519 . 73.095 . -0.442 -2.593 2.197 62 . 28118 Z90 HAVA HAVA HAVA HAVA . H . . N 0 . . . 0 no no . . . . 7.471 . 23.344 . 72.148 . -0.874 -3.061 0.535 63 . 28118 Z90 HAW HAW HAW HAW . H . . N 0 . . . 1 no no . . . . 5.732 . 22.248 . 70.215 . 1.961 -2.862 1.646 64 . 28118 Z90 HAWA HAWA HAWA HAWA . H . . N 0 . . . 0 no no . . . . 7.360 . 21.632 . 70.688 . 1.529 -3.329 -0.015 65 . 28118 Z90 HAX HAX HAX HAX . H . . N 0 . . . 1 no no . . . . 5.842 . 24.603 . 70.896 . 0.217 -5.262 0.870 66 . 28118 Z90 HAXA HAXA HAXA HAXA . H . . N 0 . . . 0 no no . . . . 4.484 . 23.647 . 71.606 . 0.649 -4.794 2.532 67 . 28118 Z90 HAY HAY HAY HAY . H . . N 0 . . . 1 no no . . . . 2.279 . 15.175 . 72.783 . -7.018 1.802 -0.049 68 . 28118 Z90 HAYA HAYA HAYA HAYA . H . . N 0 . . . 0 no no . . . . 0.500 . 15.310 . 72.511 . -6.566 1.778 -1.771 69 . 28118 Z90 HAZ HAZ HAZ HAZ . H . . N 0 . . . 1 no no . . . . 2.307 . 13.021 . 71.581 . -5.803 -0.331 0.300 70 . 28118 Z90 HAZA HAZA HAZA HAZA . H . . N 0 . . . 0 no no . . . . 0.529 . 13.125 . 71.333 . -5.351 -0.355 -1.422 71 . 28118 Z90 HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 2.623 . 20.075 . 68.569 . 1.375 0.888 1.875 72 . 28118 Z90 HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 3.764 . 18.675 . 68.786 . 3.129 0.823 2.171 73 . 28118 Z90 HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 6.507 . 19.941 . 71.961 . 0.511 -1.142 -0.414 74 . 28118 Z90 HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 5.030 . 20.881 . 72.413 . 0.779 -0.672 1.282 75 . 28118 Z90 HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 5.480 . 20.840 . 68.771 . 1.793 1.074 -0.562 76 . 28118 Z90 HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 4.028 . 21.516 . 69.591 . 3.547 1.009 -0.266 77 . 28118 Z90 HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 1.689 . 17.787 . 66.889 . -1.242 4.283 1.431 78 . 28118 Z90 HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . 2.035 . 16.296 . 65.910 . -0.788 4.255 -0.290 79 . 28118 Z90 HBE HBE HBE HBE . H . . N 0 . . . 1 no no . . . . 2.936 . 19.225 . 70.500 . 2.506 -0.762 -1.997 80 . 28118 Z90 HBEA HBEA HBEA HBEA . H . . N 0 . . . 0 no no . . . . 4.146 . 17.982 . 71.036 . 2.640 -2.376 -1.260 81 . 28118 Z90 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CBG OAA no N 1 . 28118 Z90 2 . SING OAA HOAA no N 2 . 28118 Z90 3 . DOUB CBH OAB no N 3 . 28118 Z90 4 . DOUB OAC CBG no N 4 . 28118 Z90 5 . SING CBH OAD no N 5 . 28118 Z90 6 . SING OAD HOAD no N 6 . 28118 Z90 7 . DOUB CAF CAE yes N 7 . 28118 Z90 8 . SING CAE CAG yes N 8 . 28118 Z90 9 . SING CAE HAE no N 9 . 28118 Z90 10 . SING CAJ CAF yes N 10 . 28118 Z90 11 . SING CAF HAF no N 11 . 28118 Z90 12 . DOUB CAK CAG yes N 12 . 28118 Z90 13 . SING CAG HAG no N 13 . 28118 Z90 14 . DOUB CAI CAH yes N 14 . 28118 Z90 15 . SING CAH CAL yes N 15 . 28118 Z90 16 . SING CAH HAH no N 16 . 28118 Z90 17 . SING CAI CAM yes N 17 . 28118 Z90 18 . SING CAI HAI no N 18 . 28118 Z90 19 . DOUB CAJ CBI yes N 19 . 28118 Z90 20 . SING CAJ HAJ no N 20 . 28118 Z90 21 . SING CBI CAK yes N 21 . 28118 Z90 22 . SING CAK HAK no N 22 . 28118 Z90 23 . DOUB CAL CBN yes N 23 . 28118 Z90 24 . SING CAL HAL no N 24 . 28118 Z90 25 . DOUB CAM CBO yes N 25 . 28118 Z90 26 . SING CAM HAM no N 26 . 28118 Z90 27 . DOUB CAP CAN yes N 27 . 28118 Z90 28 . SING CAN CBJ yes N 28 . 28118 Z90 29 . SING CAN HAN no N 29 . 28118 Z90 30 . SING CAQ CAO yes N 30 . 28118 Z90 31 . DOUB CBJ CAO yes N 31 . 28118 Z90 32 . SING CAO HAO no N 32 . 28118 Z90 33 . SING CAP CBK yes N 33 . 28118 Z90 34 . SING CAP HAP no N 34 . 28118 Z90 35 . DOUB CBK CAQ yes N 35 . 28118 Z90 36 . SING CAQ HAQ no N 36 . 28118 Z90 37 . DOUB CBL CAR yes N 37 . 28118 Z90 38 . SING CAR CAT yes N 38 . 28118 Z90 39 . SING CAR HAR no N 39 . 28118 Z90 40 . SING CBL CAS yes N 40 . 28118 Z90 41 . DOUB CAS CAU yes N 41 . 28118 Z90 42 . SING CAS HAS no N 42 . 28118 Z90 43 . DOUB CAT CBM yes N 43 . 28118 Z90 44 . SING CAT HAT no N 44 . 28118 Z90 45 . SING CAU CBM yes N 45 . 28118 Z90 46 . SING CAU HAU no N 46 . 28118 Z90 47 . SING CAW CAV no N 47 . 28118 Z90 48 . SING CAX CAV no N 48 . 28118 Z90 49 . SING CAV HAV no N 49 . 28118 Z90 50 . SING CAV HAVA no N 50 . 28118 Z90 51 . SING CAW CBB no N 51 . 28118 Z90 52 . SING CAW HAW no N 52 . 28118 Z90 53 . SING CAW HAWA no N 53 . 28118 Z90 54 . SING CAX CBG no N 54 . 28118 Z90 55 . SING CAX HAX no N 55 . 28118 Z90 56 . SING CAX HAXA no N 56 . 28118 Z90 57 . SING CAZ CAY no N 57 . 28118 Z90 58 . SING CAY CBI no N 58 . 28118 Z90 59 . SING CAY HAY no N 59 . 28118 Z90 60 . SING CAY HAYA no N 60 . 28118 Z90 61 . SING CBJ CAZ no N 61 . 28118 Z90 62 . SING CAZ HAZ no N 62 . 28118 Z90 63 . SING CAZ HAZA no N 63 . 28118 Z90 64 . SING CBN CBA no N 64 . 28118 Z90 65 . SING CBA CBC no N 65 . 28118 Z90 66 . SING CBA HBA no N 66 . 28118 Z90 67 . SING CBA HBAA no N 67 . 28118 Z90 68 . SING NBP CBB no N 68 . 28118 Z90 69 . SING CBB HBB no N 69 . 28118 Z90 70 . SING CBB HBBA no N 70 . 28118 Z90 71 . SING CBC NBP no N 71 . 28118 Z90 72 . SING CBC HBC no N 72 . 28118 Z90 73 . SING CBC HBCA no N 73 . 28118 Z90 74 . SING OBF CBD no N 74 . 28118 Z90 75 . SING CBD CBK no N 75 . 28118 Z90 76 . SING CBD HBD no N 76 . 28118 Z90 77 . SING CBD HBDA no N 77 . 28118 Z90 78 . SING NBP CBE no N 78 . 28118 Z90 79 . SING CBE CBL no N 79 . 28118 Z90 80 . SING CBE HBE no N 80 . 28118 Z90 81 . SING CBE HBEA no N 81 . 28118 Z90 82 . SING CBO OBF no N 82 . 28118 Z90 83 . SING CBM CBH no N 83 . 28118 Z90 84 . SING CBO CBN yes N 84 . 28118 Z90 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28118 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'H-NOX monomer' '[U-99% 15N]' . . 1 $Nostoc_sp_C139A_H-NOX . . 1 . . mM . . . . 28118 1 2 'cinaciguat (BAY58-2667)' '[U-99% 15N]' . . 2 $entity_Z90 . . 1 . . mM . . . . 28118 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28118 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'H-NOX monomer' '[U-99% 13C; U-99% 15N]' . . 1 $Nostoc_sp_C139A_H-NOX . . 1 . . mM . . . . 28118 2 2 'cinaciguat (BAY58-2667)' '[U-99% 13C; U-99% 15N]' . . 2 $entity_Z90 . . 1 . . mM . . . . 28118 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28118 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 30 . mM 28118 1 pH 7 . pH 28118 1 pressure 1 . atm 28118 1 temperature 298 . K 28118 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 28118 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 30 . mM 28118 2 pH 7 . pH 28118 2 pressure 1 . atm 28118 2 temperature 298 . K 28118 2 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 28118 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 28118 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28118 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28118 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28118 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28118 2 processing . 28118 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28118 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28118 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III HD' . 700 'equipped with cryoprobe' . . 28118 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 28118 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 2 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 4 '3D TROSY CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 5 '3D TROSY HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 6 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 11 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 12 '2D 2J (HN) HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28118 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28118 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 28118 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 28118 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 28118 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28118 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28118 1 2 '3D HNCO' . . . 28118 1 3 '3D HN(CA)CO' . . . 28118 1 4 '3D TROSY CBCA(CO)NH' . . . 28118 1 5 '3D TROSY HNCACB' . . . 28118 1 6 '3D (H)CCH-TOCSY' . . . 28118 1 7 '3D 1H-15N NOESY' . . . 28118 1 8 '3D 1H-13C NOESY aliphatic' . . . 28118 1 9 '3D 1H-13C NOESY aromatic' . . . 28118 1 10 '2D 1H-13C HSQC' . . . 28118 1 11 '3D HNHA' . . . 28118 1 12 '2D 2J (HN) HSQC' . . . 28118 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 28118 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 C C 13 173.957 0.3 . 1 . . . . . 1 MET C . 28118 1 2 . 1 . 1 1 1 MET CA C 13 55.694 0.3 . 1 . . . . . 1 MET CA . 28118 1 3 . 1 . 1 1 1 MET CB C 13 35.309 0.3 . 1 . . . . . 1 MET CB . 28118 1 4 . 1 . 1 2 2 TYR H H 1 9.113 0.020 . 1 . . . . . 2 TYR H . 28118 1 5 . 1 . 1 2 2 TYR HA H 1 4.144 0.020 . 1 . . . . . 2 TYR HA . 28118 1 6 . 1 . 1 2 2 TYR HB2 H 1 2.940 0.020 . 2 . . . . . 2 TYR HB2 . 28118 1 7 . 1 . 1 2 2 TYR HB3 H 1 2.645 0.020 . 2 . . . . . 2 TYR HB3 . 28118 1 8 . 1 . 1 2 2 TYR C C 13 178.097 0.3 . 1 . . . . . 2 TYR C . 28118 1 9 . 1 . 1 2 2 TYR CA C 13 62.174 0.3 . 1 . . . . . 2 TYR CA . 28118 1 10 . 1 . 1 2 2 TYR CB C 13 39.391 0.3 . 1 . . . . . 2 TYR CB . 28118 1 11 . 1 . 1 2 2 TYR N N 15 118.888 0.3 . 1 . . . . . 2 TYR N . 28118 1 12 . 1 . 1 3 3 GLY H H 1 9.654 0.020 . 1 . . . . . 3 GLY H . 28118 1 13 . 1 . 1 3 3 GLY HA2 H 1 3.548 0.020 . 1 . . . . . 3 GLY HA2 . 28118 1 14 . 1 . 1 3 3 GLY HA3 H 1 3.548 0.020 . 1 . . . . . 3 GLY HA3 . 28118 1 15 . 1 . 1 3 3 GLY C C 13 178.100 0.3 . 1 . . . . . 3 GLY C . 28118 1 16 . 1 . 1 3 3 GLY CA C 13 49.008 0.3 . 1 . . . . . 3 GLY CA . 28118 1 17 . 1 . 1 3 3 GLY N N 15 107.204 0.3 . 1 . . . . . 3 GLY N . 28118 1 18 . 1 . 1 4 4 LEU C C 13 177.876 0.3 . 1 . . . . . 4 LEU C . 28118 1 19 . 1 . 1 4 4 LEU CA C 13 57.406 0.3 . 1 . . . . . 4 LEU CA . 28118 1 20 . 1 . 1 4 4 LEU CB C 13 43.266 0.3 . 1 . . . . . 4 LEU CB . 28118 1 21 . 1 . 1 5 5 VAL H H 1 7.923 0.020 . 1 . . . . . 5 VAL H . 28118 1 22 . 1 . 1 5 5 VAL HA H 1 3.635 0.020 . 1 . . . . . 5 VAL HA . 28118 1 23 . 1 . 1 5 5 VAL HB H 1 1.872 0.020 . 1 . . . . . 5 VAL HB . 28118 1 24 . 1 . 1 5 5 VAL HG11 H 1 0.719 0.020 . 1 . . . . . 5 VAL HG1 . 28118 1 25 . 1 . 1 5 5 VAL HG12 H 1 0.719 0.020 . 1 . . . . . 5 VAL HG1 . 28118 1 26 . 1 . 1 5 5 VAL HG13 H 1 0.719 0.020 . 1 . . . . . 5 VAL HG1 . 28118 1 27 . 1 . 1 5 5 VAL HG21 H 1 0.595 0.020 . 1 . . . . . 5 VAL HG2 . 28118 1 28 . 1 . 1 5 5 VAL HG22 H 1 0.595 0.020 . 1 . . . . . 5 VAL HG2 . 28118 1 29 . 1 . 1 5 5 VAL HG23 H 1 0.595 0.020 . 1 . . . . . 5 VAL HG2 . 28118 1 30 . 1 . 1 5 5 VAL C C 13 176.627 0.3 . 1 . . . . . 5 VAL C . 28118 1 31 . 1 . 1 5 5 VAL CA C 13 66.655 0.3 . 1 . . . . . 5 VAL CA . 28118 1 32 . 1 . 1 5 5 VAL CB C 13 31.193 0.3 . 1 . . . . . 5 VAL CB . 28118 1 33 . 1 . 1 5 5 VAL CG1 C 13 23.242 0.3 . 1 . . . . . 5 VAL CG1 . 28118 1 34 . 1 . 1 5 5 VAL CG2 C 13 21.710 0.3 . 1 . . . . . 5 VAL CG2 . 28118 1 35 . 1 . 1 5 5 VAL N N 15 115.424 0.3 . 1 . . . . . 5 VAL N . 28118 1 36 . 1 . 1 6 6 ASN H H 1 6.028 0.020 . 1 . . . . . 6 ASN H . 28118 1 37 . 1 . 1 6 6 ASN HA H 1 3.751 0.020 . 1 . . . . . 6 ASN HA . 28118 1 38 . 1 . 1 6 6 ASN HB2 H 1 0.991 0.020 . 1 . . . . . 6 ASN HB2 . 28118 1 39 . 1 . 1 6 6 ASN HB3 H 1 0.991 0.020 . 1 . . . . . 6 ASN HB3 . 28118 1 40 . 1 . 1 6 6 ASN CA C 13 55.368 0.3 . 1 . . . . . 6 ASN CA . 28118 1 41 . 1 . 1 6 6 ASN CB C 13 35.946 0.3 . 1 . . . . . 6 ASN CB . 28118 1 42 . 1 . 1 6 6 ASN N N 15 115.173 0.3 . 1 . . . . . 6 ASN N . 28118 1 43 . 1 . 1 7 7 LYS H H 1 8.502 0.020 . 1 . . . . . 7 LYS H . 28118 1 44 . 1 . 1 7 7 LYS HA H 1 3.805 0.020 . 1 . . . . . 7 LYS HA . 28118 1 45 . 1 . 1 7 7 LYS HB2 H 1 1.934 0.020 . 2 . . . . . 7 LYS HB2 . 28118 1 46 . 1 . 1 7 7 LYS HB3 H 1 1.787 0.020 . 2 . . . . . 7 LYS HB3 . 28118 1 47 . 1 . 1 7 7 LYS HG2 H 1 1.508 0.020 . 1 . . . . . 7 LYS HG2 . 28118 1 48 . 1 . 1 7 7 LYS HG3 H 1 1.508 0.020 . 1 . . . . . 7 LYS HG3 . 28118 1 49 . 1 . 1 7 7 LYS HD2 H 1 1.547 0.020 . 1 . . . . . 7 LYS HD2 . 28118 1 50 . 1 . 1 7 7 LYS HD3 H 1 1.547 0.020 . 1 . . . . . 7 LYS HD3 . 28118 1 51 . 1 . 1 7 7 LYS HE2 H 1 2.846 0.020 . 1 . . . . . 7 LYS HE2 . 28118 1 52 . 1 . 1 7 7 LYS HE3 H 1 2.846 0.020 . 1 . . . . . 7 LYS HE3 . 28118 1 53 . 1 . 1 7 7 LYS C C 13 178.102 0.3 . 1 . . . . . 7 LYS C . 28118 1 54 . 1 . 1 7 7 LYS CA C 13 59.207 0.3 . 1 . . . . . 7 LYS CA . 28118 1 55 . 1 . 1 7 7 LYS CB C 13 32.833 0.3 . 1 . . . . . 7 LYS CB . 28118 1 56 . 1 . 1 7 7 LYS CG C 13 25.253 0.3 . 1 . . . . . 7 LYS CG . 28118 1 57 . 1 . 1 7 7 LYS CD C 13 29.265 0.3 . 1 . . . . . 7 LYS CD . 28118 1 58 . 1 . 1 7 7 LYS CE C 13 41.675 0.3 . 1 . . . . . 7 LYS CE . 28118 1 59 . 1 . 1 7 7 LYS N N 15 119.937 0.3 . 1 . . . . . 7 LYS N . 28118 1 60 . 1 . 1 8 8 ALA H H 1 7.929 0.020 . 1 . . . . . 8 ALA H . 28118 1 61 . 1 . 1 8 8 ALA HA H 1 3.313 0.020 . 1 . . . . . 8 ALA HA . 28118 1 62 . 1 . 1 8 8 ALA HB1 H 1 1.399 0.020 . 1 . . . . . 8 ALA HB . 28118 1 63 . 1 . 1 8 8 ALA HB2 H 1 1.399 0.020 . 1 . . . . . 8 ALA HB . 28118 1 64 . 1 . 1 8 8 ALA HB3 H 1 1.399 0.020 . 1 . . . . . 8 ALA HB . 28118 1 65 . 1 . 1 8 8 ALA C C 13 178.803 0.3 . 1 . . . . . 8 ALA C . 28118 1 66 . 1 . 1 8 8 ALA CA C 13 55.436 0.3 . 1 . . . . . 8 ALA CA . 28118 1 67 . 1 . 1 8 8 ALA CB C 13 18.293 0.3 . 1 . . . . . 8 ALA CB . 28118 1 68 . 1 . 1 8 8 ALA N N 15 122.035 0.3 . 1 . . . . . 8 ALA N . 28118 1 69 . 1 . 1 9 9 ILE H H 1 7.330 0.020 . 1 . . . . . 9 ILE H . 28118 1 70 . 1 . 1 9 9 ILE HA H 1 3.576 0.020 . 1 . . . . . 9 ILE HA . 28118 1 71 . 1 . 1 9 9 ILE HB H 1 1.418 0.020 . 1 . . . . . 9 ILE HB . 28118 1 72 . 1 . 1 9 9 ILE HG12 H 1 1.100 0.020 . 1 . . . . . 9 ILE HG12 . 28118 1 73 . 1 . 1 9 9 ILE HG13 H 1 1.100 0.020 . 1 . . . . . 9 ILE HG13 . 28118 1 74 . 1 . 1 9 9 ILE HG21 H 1 0.472 0.020 . 1 . . . . . 9 ILE HG2 . 28118 1 75 . 1 . 1 9 9 ILE HG22 H 1 0.472 0.020 . 1 . . . . . 9 ILE HG2 . 28118 1 76 . 1 . 1 9 9 ILE HG23 H 1 0.472 0.020 . 1 . . . . . 9 ILE HG2 . 28118 1 77 . 1 . 1 9 9 ILE HD11 H 1 0.130 0.020 . 1 . . . . . 9 ILE HD1 . 28118 1 78 . 1 . 1 9 9 ILE HD12 H 1 0.130 0.020 . 1 . . . . . 9 ILE HD1 . 28118 1 79 . 1 . 1 9 9 ILE HD13 H 1 0.130 0.020 . 1 . . . . . 9 ILE HD1 . 28118 1 80 . 1 . 1 9 9 ILE C C 13 176.697 0.3 . 1 . . . . . 9 ILE C . 28118 1 81 . 1 . 1 9 9 ILE CA C 13 65.864 0.3 . 1 . . . . . 9 ILE CA . 28118 1 82 . 1 . 1 9 9 ILE CB C 13 37.082 0.3 . 1 . . . . . 9 ILE CB . 28118 1 83 . 1 . 1 9 9 ILE CG1 C 13 28.700 0.3 . 1 . . . . . 9 ILE CG1 . 28118 1 84 . 1 . 1 9 9 ILE CG2 C 13 16.512 0.3 . 1 . . . . . 9 ILE CG2 . 28118 1 85 . 1 . 1 9 9 ILE CD1 C 13 13.068 0.3 . 1 . . . . . 9 ILE CD1 . 28118 1 86 . 1 . 1 9 9 ILE N N 15 119.399 0.3 . 1 . . . . . 9 ILE N . 28118 1 87 . 1 . 1 10 10 GLN H H 1 7.419 0.020 . 1 . . . . . 10 GLN H . 28118 1 88 . 1 . 1 10 10 GLN HA H 1 3.916 0.020 . 1 . . . . . 10 GLN HA . 28118 1 89 . 1 . 1 10 10 GLN HB2 H 1 1.147 0.020 . 1 . . . . . 10 GLN HB2 . 28118 1 90 . 1 . 1 10 10 GLN HB3 H 1 1.147 0.020 . 1 . . . . . 10 GLN HB3 . 28118 1 91 . 1 . 1 10 10 GLN C C 13 178.942 0.3 . 1 . . . . . 10 GLN C . 28118 1 92 . 1 . 1 10 10 GLN CA C 13 58.892 0.3 . 1 . . . . . 10 GLN CA . 28118 1 93 . 1 . 1 10 10 GLN CB C 13 26.661 0.3 . 1 . . . . . 10 GLN CB . 28118 1 94 . 1 . 1 10 10 GLN CG C 13 29.246 0.3 . 1 . . . . . 10 GLN CG . 28118 1 95 . 1 . 1 10 10 GLN N N 15 119.827 0.3 . 1 . . . . . 10 GLN N . 28118 1 96 . 1 . 1 11 11 ASP H H 1 8.405 0.020 . 1 . . . . . 11 ASP H . 28118 1 97 . 1 . 1 11 11 ASP HA H 1 4.087 0.020 . 1 . . . . . 11 ASP HA . 28118 1 98 . 1 . 1 11 11 ASP HB2 H 1 2.650 0.020 . 1 . . . . . 11 ASP HB2 . 28118 1 99 . 1 . 1 11 11 ASP HB3 H 1 2.650 0.020 . 1 . . . . . 11 ASP HB3 . 28118 1 100 . 1 . 1 11 11 ASP C C 13 177.162 0.3 . 1 . . . . . 11 ASP C . 28118 1 101 . 1 . 1 11 11 ASP CA C 13 57.861 0.3 . 1 . . . . . 11 ASP CA . 28118 1 102 . 1 . 1 11 11 ASP CB C 13 42.507 0.3 . 1 . . . . . 11 ASP CB . 28118 1 103 . 1 . 1 11 11 ASP N N 15 122.209 0.3 . 1 . . . . . 11 ASP N . 28118 1 104 . 1 . 1 12 12 MET H H 1 8.283 0.020 . 1 . . . . . 12 MET H . 28118 1 105 . 1 . 1 12 12 MET HA H 1 2.977 0.020 . 1 . . . . . 12 MET HA . 28118 1 106 . 1 . 1 12 12 MET HB2 H 1 1.049 0.020 . 1 . . . . . 12 MET HB2 . 28118 1 107 . 1 . 1 12 12 MET HB3 H 1 1.049 0.020 . 1 . . . . . 12 MET HB3 . 28118 1 108 . 1 . 1 12 12 MET HG2 H 1 1.584 0.020 . 1 . . . . . 12 MET HG2 . 28118 1 109 . 1 . 1 12 12 MET HG3 H 1 1.584 0.020 . 1 . . . . . 12 MET HG3 . 28118 1 110 . 1 . 1 12 12 MET C C 13 178.498 0.3 . 1 . . . . . 12 MET C . 28118 1 111 . 1 . 1 12 12 MET CA C 13 59.670 0.3 . 1 . . . . . 12 MET CA . 28118 1 112 . 1 . 1 12 12 MET CB C 13 31.567 0.3 . 1 . . . . . 12 MET CB . 28118 1 113 . 1 . 1 12 12 MET CG C 13 29.332 0.3 . 1 . . . . . 12 MET CG . 28118 1 114 . 1 . 1 12 12 MET N N 15 118.870 0.3 . 1 . . . . . 12 MET N . 28118 1 115 . 1 . 1 13 13 ILE H H 1 8.255 0.020 . 1 . . . . . 13 ILE H . 28118 1 116 . 1 . 1 13 13 ILE HA H 1 3.702 0.020 . 1 . . . . . 13 ILE HA . 28118 1 117 . 1 . 1 13 13 ILE HB H 1 2.051 0.020 . 1 . . . . . 13 ILE HB . 28118 1 118 . 1 . 1 13 13 ILE HG12 H 1 1.708 0.020 . 2 . . . . . 13 ILE HG12 . 28118 1 119 . 1 . 1 13 13 ILE HG13 H 1 1.267 0.020 . 2 . . . . . 13 ILE HG13 . 28118 1 120 . 1 . 1 13 13 ILE HG21 H 1 1.046 0.020 . 1 . . . . . 13 ILE HG2 . 28118 1 121 . 1 . 1 13 13 ILE HG22 H 1 1.046 0.020 . 1 . . . . . 13 ILE HG2 . 28118 1 122 . 1 . 1 13 13 ILE HG23 H 1 1.046 0.020 . 1 . . . . . 13 ILE HG2 . 28118 1 123 . 1 . 1 13 13 ILE HD11 H 1 0.819 0.020 . 1 . . . . . 13 ILE HD1 . 28118 1 124 . 1 . 1 13 13 ILE HD12 H 1 0.819 0.020 . 1 . . . . . 13 ILE HD1 . 28118 1 125 . 1 . 1 13 13 ILE HD13 H 1 0.819 0.020 . 1 . . . . . 13 ILE HD1 . 28118 1 126 . 1 . 1 13 13 ILE C C 13 178.384 0.3 . 1 . . . . . 13 ILE C . 28118 1 127 . 1 . 1 13 13 ILE CA C 13 64.399 0.3 . 1 . . . . . 13 ILE CA . 28118 1 128 . 1 . 1 13 13 ILE CB C 13 36.811 0.3 . 1 . . . . . 13 ILE CB . 28118 1 129 . 1 . 1 13 13 ILE CG1 C 13 28.831 0.3 . 1 . . . . . 13 ILE CG1 . 28118 1 130 . 1 . 1 13 13 ILE CG2 C 13 17.770 0.3 . 1 . . . . . 13 ILE CG2 . 28118 1 131 . 1 . 1 13 13 ILE CD1 C 13 12.142 0.3 . 1 . . . . . 13 ILE CD1 . 28118 1 132 . 1 . 1 13 13 ILE N N 15 115.873 0.3 . 1 . . . . . 13 ILE N . 28118 1 133 . 1 . 1 14 14 SER H H 1 8.570 0.020 . 1 . . . . . 14 SER H . 28118 1 134 . 1 . 1 14 14 SER HA H 1 3.915 0.020 . 1 . . . . . 14 SER HA . 28118 1 135 . 1 . 1 14 14 SER HB2 H 1 3.792 0.020 . 1 . . . . . 14 SER HB2 . 28118 1 136 . 1 . 1 14 14 SER HB3 H 1 3.792 0.020 . 1 . . . . . 14 SER HB3 . 28118 1 137 . 1 . 1 14 14 SER CA C 13 62.730 0.3 . 1 . . . . . 14 SER CA . 28118 1 138 . 1 . 1 14 14 SER N N 15 115.911 0.3 . 1 . . . . . 14 SER N . 28118 1 139 . 1 . 1 15 15 LYS H H 1 8.247 0.020 . 1 . . . . . 15 LYS H . 28118 1 140 . 1 . 1 15 15 LYS HA H 1 3.927 0.020 . 1 . . . . . 15 LYS HA . 28118 1 141 . 1 . 1 15 15 LYS HB2 H 1 1.741 0.020 . 1 . . . . . 15 LYS HB2 . 28118 1 142 . 1 . 1 15 15 LYS HB3 H 1 1.741 0.020 . 1 . . . . . 15 LYS HB3 . 28118 1 143 . 1 . 1 15 15 LYS HG2 H 1 1.299 0.020 . 1 . . . . . 15 LYS HG2 . 28118 1 144 . 1 . 1 15 15 LYS HG3 H 1 1.299 0.020 . 1 . . . . . 15 LYS HG3 . 28118 1 145 . 1 . 1 15 15 LYS HD2 H 1 1.566 0.020 . 1 . . . . . 15 LYS HD2 . 28118 1 146 . 1 . 1 15 15 LYS HD3 H 1 1.566 0.020 . 1 . . . . . 15 LYS HD3 . 28118 1 147 . 1 . 1 15 15 LYS HE2 H 1 3.076 0.020 . 1 . . . . . 15 LYS HE2 . 28118 1 148 . 1 . 1 15 15 LYS HE3 H 1 3.076 0.020 . 1 . . . . . 15 LYS HE3 . 28118 1 149 . 1 . 1 15 15 LYS C C 13 178.534 0.3 . 1 . . . . . 15 LYS C . 28118 1 150 . 1 . 1 15 15 LYS CA C 13 59.358 0.3 . 1 . . . . . 15 LYS CA . 28118 1 151 . 1 . 1 15 15 LYS CB C 13 32.304 0.3 . 1 . . . . . 15 LYS CB . 28118 1 152 . 1 . 1 15 15 LYS CG C 13 25.561 0.3 . 1 . . . . . 15 LYS CG . 28118 1 153 . 1 . 1 15 15 LYS CD C 13 29.299 0.3 . 1 . . . . . 15 LYS CD . 28118 1 154 . 1 . 1 15 15 LYS CE C 13 41.881 0.3 . 1 . . . . . 15 LYS CE . 28118 1 155 . 1 . 1 15 15 LYS N N 15 120.430 0.3 . 1 . . . . . 15 LYS N . 28118 1 156 . 1 . 1 16 16 HIS H H 1 7.885 0.020 . 1 . . . . . 16 HIS H . 28118 1 157 . 1 . 1 16 16 HIS HA H 1 4.327 0.020 . 1 . . . . . 16 HIS HA . 28118 1 158 . 1 . 1 16 16 HIS CA C 13 57.644 0.3 . 1 . . . . . 16 HIS CA . 28118 1 159 . 1 . 1 16 16 HIS CB C 13 31.039 0.3 . 1 . . . . . 16 HIS CB . 28118 1 160 . 1 . 1 16 16 HIS N N 15 114.875 0.3 . 1 . . . . . 16 HIS N . 28118 1 161 . 1 . 1 17 17 HIS H H 1 8.525 0.020 . 1 . . . . . 17 HIS H . 28118 1 162 . 1 . 1 17 17 HIS HA H 1 4.816 0.020 . 1 . . . . . 17 HIS HA . 28118 1 163 . 1 . 1 17 17 HIS HB2 H 1 3.276 0.020 . 1 . . . . . 17 HIS HB2 . 28118 1 164 . 1 . 1 17 17 HIS HB3 H 1 3.276 0.020 . 1 . . . . . 17 HIS HB3 . 28118 1 165 . 1 . 1 17 17 HIS C C 13 175.985 0.3 . 1 . . . . . 17 HIS C . 28118 1 166 . 1 . 1 17 17 HIS CA C 13 56.260 0.3 . 1 . . . . . 17 HIS CA . 28118 1 167 . 1 . 1 17 17 HIS CB C 13 32.030 0.3 . 1 . . . . . 17 HIS CB . 28118 1 168 . 1 . 1 17 17 HIS N N 15 114.722 0.3 . 1 . . . . . 17 HIS N . 28118 1 169 . 1 . 1 18 18 GLY H H 1 7.633 0.020 . 1 . . . . . 18 GLY H . 28118 1 170 . 1 . 1 18 18 GLY HA2 H 1 4.772 0.020 . 1 . . . . . 18 GLY HA2 . 28118 1 171 . 1 . 1 18 18 GLY HA3 H 1 4.772 0.020 . 1 . . . . . 18 GLY HA3 . 28118 1 172 . 1 . 1 18 18 GLY C C 13 174.654 0.3 . 1 . . . . . 18 GLY C . 28118 1 173 . 1 . 1 18 18 GLY CA C 13 44.903 0.3 . 1 . . . . . 18 GLY CA . 28118 1 174 . 1 . 1 18 18 GLY N N 15 110.666 0.3 . 1 . . . . . 18 GLY N . 28118 1 175 . 1 . 1 19 19 GLU H H 1 9.031 0.020 . 1 . . . . . 19 GLU H . 28118 1 176 . 1 . 1 19 19 GLU HA H 1 4.116 0.020 . 1 . . . . . 19 GLU HA . 28118 1 177 . 1 . 1 19 19 GLU HB2 H 1 2.184 0.020 . 1 . . . . . 19 GLU HB2 . 28118 1 178 . 1 . 1 19 19 GLU HB3 H 1 2.184 0.020 . 1 . . . . . 19 GLU HB3 . 28118 1 179 . 1 . 1 19 19 GLU HG2 H 1 2.400 0.020 . 1 . . . . . 19 GLU HG2 . 28118 1 180 . 1 . 1 19 19 GLU HG3 H 1 2.400 0.020 . 1 . . . . . 19 GLU HG3 . 28118 1 181 . 1 . 1 19 19 GLU C C 13 178.471 0.3 . 1 . . . . . 19 GLU C . 28118 1 182 . 1 . 1 19 19 GLU CA C 13 60.150 0.3 . 1 . . . . . 19 GLU CA . 28118 1 183 . 1 . 1 19 19 GLU CB C 13 29.758 0.3 . 1 . . . . . 19 GLU CB . 28118 1 184 . 1 . 1 19 19 GLU CG C 13 36.838 0.3 . 1 . . . . . 19 GLU CG . 28118 1 185 . 1 . 1 19 19 GLU N N 15 122.376 0.3 . 1 . . . . . 19 GLU N . 28118 1 186 . 1 . 1 20 20 ASP H H 1 8.925 0.020 . 1 . . . . . 20 ASP H . 28118 1 187 . 1 . 1 20 20 ASP HA H 1 4.344 0.020 . 1 . . . . . 20 ASP HA . 28118 1 188 . 1 . 1 20 20 ASP HB2 H 1 2.622 0.020 . 1 . . . . . 20 ASP HB2 . 28118 1 189 . 1 . 1 20 20 ASP HB3 H 1 2.622 0.020 . 1 . . . . . 20 ASP HB3 . 28118 1 190 . 1 . 1 20 20 ASP C C 13 179.602 0.3 . 1 . . . . . 20 ASP C . 28118 1 191 . 1 . 1 20 20 ASP CA C 13 57.165 0.3 . 1 . . . . . 20 ASP CA . 28118 1 192 . 1 . 1 20 20 ASP CB C 13 39.065 0.3 . 1 . . . . . 20 ASP CB . 28118 1 193 . 1 . 1 20 20 ASP N N 15 118.694 0.3 . 1 . . . . . 20 ASP N . 28118 1 194 . 1 . 1 21 21 THR H H 1 7.775 0.020 . 1 . . . . . 21 THR H . 28118 1 195 . 1 . 1 21 21 THR HA H 1 3.844 0.020 . 1 . . . . . 21 THR HA . 28118 1 196 . 1 . 1 21 21 THR HB H 1 3.992 0.020 . 1 . . . . . 21 THR HB . 28118 1 197 . 1 . 1 21 21 THR HG21 H 1 0.999 0.020 . 1 . . . . . 21 THR HG2 . 28118 1 198 . 1 . 1 21 21 THR HG22 H 1 0.999 0.020 . 1 . . . . . 21 THR HG2 . 28118 1 199 . 1 . 1 21 21 THR HG23 H 1 0.999 0.020 . 1 . . . . . 21 THR HG2 . 28118 1 200 . 1 . 1 21 21 THR C C 13 178.296 0.3 . 1 . . . . . 21 THR C . 28118 1 201 . 1 . 1 21 21 THR CA C 13 66.064 0.3 . 1 . . . . . 21 THR CA . 28118 1 202 . 1 . 1 21 21 THR CB C 13 67.500 0.3 . 1 . . . . . 21 THR CB . 28118 1 203 . 1 . 1 21 21 THR CG2 C 13 22.229 0.3 . 1 . . . . . 21 THR CG2 . 28118 1 204 . 1 . 1 21 21 THR N N 15 120.344 0.3 . 1 . . . . . 21 THR N . 28118 1 205 . 1 . 1 22 22 TRP H H 1 7.689 0.020 . 1 . . . . . 22 TRP H . 28118 1 206 . 1 . 1 22 22 TRP HA H 1 4.418 0.020 . 1 . . . . . 22 TRP HA . 28118 1 207 . 1 . 1 22 22 TRP HB2 H 1 3.439 0.020 . 2 . . . . . 22 TRP HB2 . 28118 1 208 . 1 . 1 22 22 TRP HB3 H 1 3.140 0.020 . 2 . . . . . 22 TRP HB3 . 28118 1 209 . 1 . 1 22 22 TRP C C 13 176.065 0.3 . 1 . . . . . 22 TRP C . 28118 1 210 . 1 . 1 22 22 TRP CA C 13 59.942 0.3 . 1 . . . . . 22 TRP CA . 28118 1 211 . 1 . 1 22 22 TRP CB C 13 28.836 0.3 . 1 . . . . . 22 TRP CB . 28118 1 212 . 1 . 1 22 22 TRP N N 15 120.866 0.3 . 1 . . . . . 22 TRP N . 28118 1 213 . 1 . 1 23 23 GLU H H 1 8.243 0.020 . 1 . . . . . 23 GLU H . 28118 1 214 . 1 . 1 23 23 GLU HA H 1 3.309 0.020 . 1 . . . . . 23 GLU HA . 28118 1 215 . 1 . 1 23 23 GLU HB2 H 1 1.945 0.020 . 1 . . . . . 23 GLU HB2 . 28118 1 216 . 1 . 1 23 23 GLU HB3 H 1 1.945 0.020 . 1 . . . . . 23 GLU HB3 . 28118 1 217 . 1 . 1 23 23 GLU HG2 H 1 2.337 0.020 . 1 . . . . . 23 GLU HG2 . 28118 1 218 . 1 . 1 23 23 GLU HG3 H 1 2.337 0.020 . 1 . . . . . 23 GLU HG3 . 28118 1 219 . 1 . 1 23 23 GLU C C 13 178.883 0.3 . 1 . . . . . 23 GLU C . 28118 1 220 . 1 . 1 23 23 GLU CA C 13 59.598 0.3 . 1 . . . . . 23 GLU CA . 28118 1 221 . 1 . 1 23 23 GLU CB C 13 28.543 0.3 . 1 . . . . . 23 GLU CB . 28118 1 222 . 1 . 1 23 23 GLU CG C 13 35.617 0.3 . 1 . . . . . 23 GLU CG . 28118 1 223 . 1 . 1 23 23 GLU N N 15 117.235 0.3 . 1 . . . . . 23 GLU N . 28118 1 224 . 1 . 1 24 24 ALA H H 1 7.447 0.020 . 1 . . . . . 24 ALA H . 28118 1 225 . 1 . 1 24 24 ALA HA H 1 3.948 0.020 . 1 . . . . . 24 ALA HA . 28118 1 226 . 1 . 1 24 24 ALA HB1 H 1 1.317 0.020 . 1 . . . . . 24 ALA HB . 28118 1 227 . 1 . 1 24 24 ALA HB2 H 1 1.317 0.020 . 1 . . . . . 24 ALA HB . 28118 1 228 . 1 . 1 24 24 ALA HB3 H 1 1.317 0.020 . 1 . . . . . 24 ALA HB . 28118 1 229 . 1 . 1 24 24 ALA CA C 13 54.794 0.3 . 1 . . . . . 24 ALA CA . 28118 1 230 . 1 . 1 24 24 ALA CB C 13 17.815 0.3 . 1 . . . . . 24 ALA CB . 28118 1 231 . 1 . 1 24 24 ALA N N 15 120.486 0.3 . 1 . . . . . 24 ALA N . 28118 1 232 . 1 . 1 25 25 ILE H H 1 7.765 0.020 . 1 . . . . . 25 ILE H . 28118 1 233 . 1 . 1 25 25 ILE HA H 1 3.142 0.020 . 1 . . . . . 25 ILE HA . 28118 1 234 . 1 . 1 25 25 ILE HB H 1 1.721 0.020 . 1 . . . . . 25 ILE HB . 28118 1 235 . 1 . 1 25 25 ILE HG12 H 1 1.792 0.020 . 1 . . . . . 25 ILE HG12 . 28118 1 236 . 1 . 1 25 25 ILE HG13 H 1 1.792 0.020 . 1 . . . . . 25 ILE HG13 . 28118 1 237 . 1 . 1 25 25 ILE HG21 H 1 0.558 0.020 . 1 . . . . . 25 ILE HG2 . 28118 1 238 . 1 . 1 25 25 ILE HG22 H 1 0.558 0.020 . 1 . . . . . 25 ILE HG2 . 28118 1 239 . 1 . 1 25 25 ILE HG23 H 1 0.558 0.020 . 1 . . . . . 25 ILE HG2 . 28118 1 240 . 1 . 1 25 25 ILE HD11 H 1 0.777 0.020 . 1 . . . . . 25 ILE HD1 . 28118 1 241 . 1 . 1 25 25 ILE HD12 H 1 0.777 0.020 . 1 . . . . . 25 ILE HD1 . 28118 1 242 . 1 . 1 25 25 ILE HD13 H 1 0.777 0.020 . 1 . . . . . 25 ILE HD1 . 28118 1 243 . 1 . 1 25 25 ILE C C 13 175.924 0.3 . 1 . . . . . 25 ILE C . 28118 1 244 . 1 . 1 25 25 ILE CA C 13 65.787 0.3 . 1 . . . . . 25 ILE CA . 28118 1 245 . 1 . 1 25 25 ILE CB C 13 37.591 0.3 . 1 . . . . . 25 ILE CB . 28118 1 246 . 1 . 1 25 25 ILE CG1 C 13 31.250 0.3 . 1 . . . . . 25 ILE CG1 . 28118 1 247 . 1 . 1 25 25 ILE CG2 C 13 16.506 0.3 . 1 . . . . . 25 ILE CG2 . 28118 1 248 . 1 . 1 25 25 ILE CD1 C 13 15.249 0.3 . 1 . . . . . 25 ILE CD1 . 28118 1 249 . 1 . 1 25 25 ILE N N 15 121.833 0.3 . 1 . . . . . 25 ILE N . 28118 1 250 . 1 . 1 26 26 LYS H H 1 8.102 0.020 . 1 . . . . . 26 LYS H . 28118 1 251 . 1 . 1 26 26 LYS HA H 1 2.975 0.020 . 1 . . . . . 26 LYS HA . 28118 1 252 . 1 . 1 26 26 LYS HB2 H 1 1.045 0.020 . 2 . . . . . 26 LYS HB2 . 28118 1 253 . 1 . 1 26 26 LYS HB3 H 1 0.478 0.020 . 2 . . . . . 26 LYS HB3 . 28118 1 254 . 1 . 1 26 26 LYS HG2 H 1 1.505 0.020 . 1 . . . . . 26 LYS HG2 . 28118 1 255 . 1 . 1 26 26 LYS HG3 H 1 1.505 0.020 . 1 . . . . . 26 LYS HG3 . 28118 1 256 . 1 . 1 26 26 LYS HD2 H 1 1.380 0.020 . 1 . . . . . 26 LYS HD2 . 28118 1 257 . 1 . 1 26 26 LYS HD3 H 1 1.380 0.020 . 1 . . . . . 26 LYS HD3 . 28118 1 258 . 1 . 1 26 26 LYS HE2 H 1 1.846 0.020 . 1 . . . . . 26 LYS HE2 . 28118 1 259 . 1 . 1 26 26 LYS HE3 H 1 1.846 0.020 . 1 . . . . . 26 LYS HE3 . 28118 1 260 . 1 . 1 26 26 LYS C C 13 178.213 0.3 . 1 . . . . . 26 LYS C . 28118 1 261 . 1 . 1 26 26 LYS CA C 13 60.217 0.3 . 1 . . . . . 26 LYS CA . 28118 1 262 . 1 . 1 26 26 LYS CB C 13 31.459 0.3 . 1 . . . . . 26 LYS CB . 28118 1 263 . 1 . 1 26 26 LYS CG C 13 25.084 0.3 . 1 . . . . . 26 LYS CG . 28118 1 264 . 1 . 1 26 26 LYS CD C 13 29.325 0.3 . 1 . . . . . 26 LYS CD . 28118 1 265 . 1 . 1 26 26 LYS CE C 13 41.960 0.3 . 1 . . . . . 26 LYS CE . 28118 1 266 . 1 . 1 26 26 LYS N N 15 120.966 0.3 . 1 . . . . . 26 LYS N . 28118 1 267 . 1 . 1 27 27 GLN H H 1 7.543 0.020 . 1 . . . . . 27 GLN H . 28118 1 268 . 1 . 1 27 27 GLN HA H 1 3.785 0.020 . 1 . . . . . 27 GLN HA . 28118 1 269 . 1 . 1 27 27 GLN HB2 H 1 1.914 0.020 . 1 . . . . . 27 GLN HB2 . 28118 1 270 . 1 . 1 27 27 GLN HB3 H 1 1.914 0.020 . 1 . . . . . 27 GLN HB3 . 28118 1 271 . 1 . 1 27 27 GLN HG2 H 1 2.356 0.020 . 2 . . . . . 27 GLN HG2 . 28118 1 272 . 1 . 1 27 27 GLN HG3 H 1 2.157 0.020 . 2 . . . . . 27 GLN HG3 . 28118 1 273 . 1 . 1 27 27 GLN C C 13 180.004 0.3 . 1 . . . . . 27 GLN C . 28118 1 274 . 1 . 1 27 27 GLN CA C 13 58.556 0.3 . 1 . . . . . 27 GLN CA . 28118 1 275 . 1 . 1 27 27 GLN CB C 13 28.082 0.3 . 1 . . . . . 27 GLN CB . 28118 1 276 . 1 . 1 27 27 GLN CG C 13 33.631 0.3 . 1 . . . . . 27 GLN CG . 28118 1 277 . 1 . 1 27 27 GLN N N 15 115.777 0.3 . 1 . . . . . 27 GLN N . 28118 1 278 . 1 . 1 28 28 LYS H H 1 7.900 0.020 . 1 . . . . . 28 LYS H . 28118 1 279 . 1 . 1 28 28 LYS HA H 1 3.900 0.020 . 1 . . . . . 28 LYS HA . 28118 1 280 . 1 . 1 28 28 LYS HB2 H 1 1.752 0.020 . 1 . . . . . 28 LYS HB2 . 28118 1 281 . 1 . 1 28 28 LYS HB3 H 1 1.752 0.020 . 1 . . . . . 28 LYS HB3 . 28118 1 282 . 1 . 1 28 28 LYS HG2 H 1 1.357 0.020 . 1 . . . . . 28 LYS HG2 . 28118 1 283 . 1 . 1 28 28 LYS HG3 H 1 1.357 0.020 . 1 . . . . . 28 LYS HG3 . 28118 1 284 . 1 . 1 28 28 LYS HD2 H 1 1.548 0.020 . 1 . . . . . 28 LYS HD2 . 28118 1 285 . 1 . 1 28 28 LYS HD3 H 1 1.548 0.020 . 1 . . . . . 28 LYS HD3 . 28118 1 286 . 1 . 1 28 28 LYS HE2 H 1 2.777 0.020 . 1 . . . . . 28 LYS HE2 . 28118 1 287 . 1 . 1 28 28 LYS HE3 H 1 2.777 0.020 . 1 . . . . . 28 LYS HE3 . 28118 1 288 . 1 . 1 28 28 LYS C C 13 177.609 0.3 . 1 . . . . . 28 LYS C . 28118 1 289 . 1 . 1 28 28 LYS CA C 13 58.461 0.3 . 1 . . . . . 28 LYS CA . 28118 1 290 . 1 . 1 28 28 LYS CB C 13 31.500 0.3 . 1 . . . . . 28 LYS CB . 28118 1 291 . 1 . 1 28 28 LYS CG C 13 24.281 0.3 . 1 . . . . . 28 LYS CG . 28118 1 292 . 1 . 1 28 28 LYS CD C 13 28.144 0.3 . 1 . . . . . 28 LYS CD . 28118 1 293 . 1 . 1 28 28 LYS CE C 13 41.446 0.3 . 1 . . . . . 28 LYS CE . 28118 1 294 . 1 . 1 28 28 LYS N N 15 122.666 0.3 . 1 . . . . . 28 LYS N . 28118 1 295 . 1 . 1 29 29 ALA H H 1 8.084 0.020 . 1 . . . . . 29 ALA H . 28118 1 296 . 1 . 1 29 29 ALA HA H 1 4.017 0.020 . 1 . . . . . 29 ALA HA . 28118 1 297 . 1 . 1 29 29 ALA HB1 H 1 1.180 0.020 . 1 . . . . . 29 ALA HB . 28118 1 298 . 1 . 1 29 29 ALA HB2 H 1 1.180 0.020 . 1 . . . . . 29 ALA HB . 28118 1 299 . 1 . 1 29 29 ALA HB3 H 1 1.180 0.020 . 1 . . . . . 29 ALA HB . 28118 1 300 . 1 . 1 29 29 ALA C C 13 176.407 0.3 . 1 . . . . . 29 ALA C . 28118 1 301 . 1 . 1 29 29 ALA CA C 13 52.299 0.3 . 1 . . . . . 29 ALA CA . 28118 1 302 . 1 . 1 29 29 ALA CB C 13 19.096 0.3 . 1 . . . . . 29 ALA CB . 28118 1 303 . 1 . 1 29 29 ALA N N 15 118.620 0.3 . 1 . . . . . 29 ALA N . 28118 1 304 . 1 . 1 30 30 GLY H H 1 7.608 0.020 . 1 . . . . . 30 GLY H . 28118 1 305 . 1 . 1 30 30 GLY HA2 H 1 3.892 0.020 . 1 . . . . . 30 GLY HA2 . 28118 1 306 . 1 . 1 30 30 GLY HA3 H 1 3.892 0.020 . 1 . . . . . 30 GLY HA3 . 28118 1 307 . 1 . 1 30 30 GLY CA C 13 45.798 0.3 . 1 . . . . . 30 GLY CA . 28118 1 308 . 1 . 1 30 30 GLY N N 15 105.903 0.3 . 1 . . . . . 30 GLY N . 28118 1 309 . 1 . 1 31 31 LEU H H 1 7.585 0.020 . 1 . . . . . 31 LEU H . 28118 1 310 . 1 . 1 31 31 LEU HA H 1 4.551 0.020 . 1 . . . . . 31 LEU HA . 28118 1 311 . 1 . 1 31 31 LEU HB2 H 1 1.639 0.020 . 2 . . . . . 31 LEU HB2 . 28118 1 312 . 1 . 1 31 31 LEU HB3 H 1 1.362 0.020 . 2 . . . . . 31 LEU HB3 . 28118 1 313 . 1 . 1 31 31 LEU HG H 1 0.918 0.020 . 1 . . . . . 31 LEU HG . 28118 1 314 . 1 . 1 31 31 LEU HD11 H 1 1.379 0.020 . 1 . . . . . 31 LEU HD1 . 28118 1 315 . 1 . 1 31 31 LEU HD12 H 1 1.379 0.020 . 1 . . . . . 31 LEU HD1 . 28118 1 316 . 1 . 1 31 31 LEU HD13 H 1 1.379 0.020 . 1 . . . . . 31 LEU HD1 . 28118 1 317 . 1 . 1 31 31 LEU HD21 H 1 0.860 0.020 . 1 . . . . . 31 LEU HD2 . 28118 1 318 . 1 . 1 31 31 LEU HD22 H 1 0.860 0.020 . 1 . . . . . 31 LEU HD2 . 28118 1 319 . 1 . 1 31 31 LEU HD23 H 1 0.860 0.020 . 1 . . . . . 31 LEU HD2 . 28118 1 320 . 1 . 1 31 31 LEU C C 13 176.684 0.3 . 1 . . . . . 31 LEU C . 28118 1 321 . 1 . 1 31 31 LEU CA C 13 53.137 0.3 . 1 . . . . . 31 LEU CA . 28118 1 322 . 1 . 1 31 31 LEU CB C 13 41.302 0.3 . 1 . . . . . 31 LEU CB . 28118 1 323 . 1 . 1 31 31 LEU CG C 13 27.500 0.3 . 1 . . . . . 31 LEU CG . 28118 1 324 . 1 . 1 31 31 LEU CD1 C 13 25.909 0.3 . 1 . . . . . 31 LEU CD1 . 28118 1 325 . 1 . 1 31 31 LEU CD2 C 13 22.773 0.3 . 1 . . . . . 31 LEU CD2 . 28118 1 326 . 1 . 1 31 31 LEU N N 15 119.321 0.3 . 1 . . . . . 31 LEU N . 28118 1 327 . 1 . 1 32 32 GLU H H 1 8.692 0.020 . 1 . . . . . 32 GLU H . 28118 1 328 . 1 . 1 32 32 GLU HA H 1 3.716 0.020 . 1 . . . . . 32 GLU HA . 28118 1 329 . 1 . 1 32 32 GLU HB2 H 1 2.014 0.020 . 2 . . . . . 32 GLU HB2 . 28118 1 330 . 1 . 1 32 32 GLU HB3 H 1 1.897 0.020 . 2 . . . . . 32 GLU HB3 . 28118 1 331 . 1 . 1 32 32 GLU HG2 H 1 2.177 0.020 . 2 . . . . . 32 GLU HG2 . 28118 1 332 . 1 . 1 32 32 GLU HG3 H 1 2.082 0.020 . 2 . . . . . 32 GLU HG3 . 28118 1 333 . 1 . 1 32 32 GLU C C 13 176.335 0.3 . 1 . . . . . 32 GLU C . 28118 1 334 . 1 . 1 32 32 GLU CA C 13 59.060 0.3 . 1 . . . . . 32 GLU CA . 28118 1 335 . 1 . 1 32 32 GLU CB C 13 29.244 0.3 . 1 . . . . . 32 GLU CB . 28118 1 336 . 1 . 1 32 32 GLU CG C 13 35.730 0.3 . 1 . . . . . 32 GLU CG . 28118 1 337 . 1 . 1 32 32 GLU N N 15 119.206 0.3 . 1 . . . . . 32 GLU N . 28118 1 338 . 1 . 1 33 33 ASP H H 1 8.437 0.020 . 1 . . . . . 33 ASP H . 28118 1 339 . 1 . 1 33 33 ASP HA H 1 4.375 0.020 . 1 . . . . . 33 ASP HA . 28118 1 340 . 1 . 1 33 33 ASP HB2 H 1 2.595 0.020 . 2 . . . . . 33 ASP HB2 . 28118 1 341 . 1 . 1 33 33 ASP HB3 H 1 2.484 0.020 . 2 . . . . . 33 ASP HB3 . 28118 1 342 . 1 . 1 33 33 ASP C C 13 175.780 0.3 . 1 . . . . . 33 ASP C . 28118 1 343 . 1 . 1 33 33 ASP CA C 13 54.528 0.3 . 1 . . . . . 33 ASP CA . 28118 1 344 . 1 . 1 33 33 ASP CB C 13 40.196 0.3 . 1 . . . . . 33 ASP CB . 28118 1 345 . 1 . 1 33 33 ASP N N 15 115.987 0.3 . 1 . . . . . 33 ASP N . 28118 1 346 . 1 . 1 34 34 ILE H H 1 7.449 0.020 . 1 . . . . . 34 ILE H . 28118 1 347 . 1 . 1 34 34 ILE HA H 1 3.894 0.020 . 1 . . . . . 34 ILE HA . 28118 1 348 . 1 . 1 34 34 ILE HB H 1 1.624 0.020 . 1 . . . . . 34 ILE HB . 28118 1 349 . 1 . 1 34 34 ILE HG12 H 1 1.299 0.020 . 2 . . . . . 34 ILE HG12 . 28118 1 350 . 1 . 1 34 34 ILE HG13 H 1 0.986 0.020 . 2 . . . . . 34 ILE HG13 . 28118 1 351 . 1 . 1 34 34 ILE HG21 H 1 0.079 0.020 . 1 . . . . . 34 ILE HG2 . 28118 1 352 . 1 . 1 34 34 ILE HG22 H 1 0.079 0.020 . 1 . . . . . 34 ILE HG2 . 28118 1 353 . 1 . 1 34 34 ILE HG23 H 1 0.079 0.020 . 1 . . . . . 34 ILE HG2 . 28118 1 354 . 1 . 1 34 34 ILE HD11 H 1 0.760 0.020 . 1 . . . . . 34 ILE HD1 . 28118 1 355 . 1 . 1 34 34 ILE HD12 H 1 0.760 0.020 . 1 . . . . . 34 ILE HD1 . 28118 1 356 . 1 . 1 34 34 ILE HD13 H 1 0.760 0.020 . 1 . . . . . 34 ILE HD1 . 28118 1 357 . 1 . 1 34 34 ILE C C 13 174.881 0.3 . 1 . . . . . 34 ILE C . 28118 1 358 . 1 . 1 34 34 ILE CA C 13 60.179 0.3 . 1 . . . . . 34 ILE CA . 28118 1 359 . 1 . 1 34 34 ILE CB C 13 37.380 0.3 . 1 . . . . . 34 ILE CB . 28118 1 360 . 1 . 1 34 34 ILE CG1 C 13 26.798 0.3 . 1 . . . . . 34 ILE CG1 . 28118 1 361 . 1 . 1 34 34 ILE CG2 C 13 16.128 0.3 . 1 . . . . . 34 ILE CG2 . 28118 1 362 . 1 . 1 34 34 ILE CD1 C 13 12.907 0.3 . 1 . . . . . 34 ILE CD1 . 28118 1 363 . 1 . 1 34 34 ILE N N 15 120.701 0.3 . 1 . . . . . 34 ILE N . 28118 1 364 . 1 . 1 35 35 ASP H H 1 8.435 0.020 . 1 . . . . . 35 ASP H . 28118 1 365 . 1 . 1 35 35 ASP HA H 1 4.264 0.020 . 1 . . . . . 35 ASP HA . 28118 1 366 . 1 . 1 35 35 ASP HB2 H 1 2.577 0.020 . 2 . . . . . 35 ASP HB2 . 28118 1 367 . 1 . 1 35 35 ASP HB3 H 1 2.404 0.020 . 2 . . . . . 35 ASP HB3 . 28118 1 368 . 1 . 1 35 35 ASP C C 13 175.886 0.3 . 1 . . . . . 35 ASP C . 28118 1 369 . 1 . 1 35 35 ASP CA C 13 56.043 0.3 . 1 . . . . . 35 ASP CA . 28118 1 370 . 1 . 1 35 35 ASP CB C 13 40.779 0.3 . 1 . . . . . 35 ASP CB . 28118 1 371 . 1 . 1 35 35 ASP N N 15 127.310 0.3 . 1 . . . . . 35 ASP N . 28118 1 372 . 1 . 1 36 36 PHE H H 1 7.127 0.020 . 1 . . . . . 36 PHE H . 28118 1 373 . 1 . 1 36 36 PHE HA H 1 4.523 0.020 . 1 . . . . . 36 PHE HA . 28118 1 374 . 1 . 1 36 36 PHE HB2 H 1 2.592 0.020 . 2 . . . . . 36 PHE HB2 . 28118 1 375 . 1 . 1 36 36 PHE HB3 H 1 2.405 0.020 . 2 . . . . . 36 PHE HB3 . 28118 1 376 . 1 . 1 36 36 PHE C C 13 173.648 0.3 . 1 . . . . . 36 PHE C . 28118 1 377 . 1 . 1 36 36 PHE CA C 13 55.615 0.3 . 1 . . . . . 36 PHE CA . 28118 1 378 . 1 . 1 36 36 PHE CB C 13 40.496 0.3 . 1 . . . . . 36 PHE CB . 28118 1 379 . 1 . 1 36 36 PHE N N 15 113.793 0.3 . 1 . . . . . 36 PHE N . 28118 1 380 . 1 . 1 37 37 PHE H H 1 9.190 0.020 . 1 . . . . . 37 PHE H . 28118 1 381 . 1 . 1 37 37 PHE HA H 1 4.565 0.020 . 1 . . . . . 37 PHE HA . 28118 1 382 . 1 . 1 37 37 PHE HB2 H 1 2.591 0.020 . 2 . . . . . 37 PHE HB2 . 28118 1 383 . 1 . 1 37 37 PHE HB3 H 1 2.505 0.020 . 2 . . . . . 37 PHE HB3 . 28118 1 384 . 1 . 1 37 37 PHE C C 13 175.040 0.3 . 1 . . . . . 37 PHE C . 28118 1 385 . 1 . 1 37 37 PHE CA C 13 57.878 0.3 . 1 . . . . . 37 PHE CA . 28118 1 386 . 1 . 1 37 37 PHE CB C 13 40.184 0.3 . 1 . . . . . 37 PHE CB . 28118 1 387 . 1 . 1 37 37 PHE N N 15 119.156 0.3 . 1 . . . . . 37 PHE N . 28118 1 388 . 1 . 1 39 39 GLY C C 13 177.889 0.3 . 1 . . . . . 39 GLY C . 28118 1 389 . 1 . 1 39 39 GLY CA C 13 47.238 0.3 . 1 . . . . . 39 GLY CA . 28118 1 390 . 1 . 1 40 40 MET H H 1 7.831 0.020 . 1 . . . . . 40 MET H . 28118 1 391 . 1 . 1 40 40 MET HA H 1 4.804 0.020 . 1 . . . . . 40 MET HA . 28118 1 392 . 1 . 1 40 40 MET HB2 H 1 2.554 0.020 . 1 . . . . . 40 MET HB2 . 28118 1 393 . 1 . 1 40 40 MET HB3 H 1 2.554 0.020 . 1 . . . . . 40 MET HB3 . 28118 1 394 . 1 . 1 40 40 MET HG2 H 1 2.376 0.020 . 1 . . . . . 40 MET HG2 . 28118 1 395 . 1 . 1 40 40 MET HG3 H 1 2.376 0.020 . 1 . . . . . 40 MET HG3 . 28118 1 396 . 1 . 1 40 40 MET C C 13 175.214 0.3 . 1 . . . . . 40 MET C . 28118 1 397 . 1 . 1 40 40 MET CA C 13 54.835 0.3 . 1 . . . . . 40 MET CA . 28118 1 398 . 1 . 1 40 40 MET CB C 13 32.260 0.3 . 1 . . . . . 40 MET CB . 28118 1 399 . 1 . 1 40 40 MET CG C 13 31.379 0.3 . 1 . . . . . 40 MET CG . 28118 1 400 . 1 . 1 40 40 MET N N 15 112.367 0.3 . 1 . . . . . 40 MET N . 28118 1 401 . 1 . 1 41 41 GLU H H 1 7.632 0.020 . 1 . . . . . 41 GLU H . 28118 1 402 . 1 . 1 41 41 GLU HA H 1 4.576 0.020 . 1 . . . . . 41 GLU HA . 28118 1 403 . 1 . 1 41 41 GLU HB2 H 1 1.964 0.020 . 2 . . . . . 41 GLU HB2 . 28118 1 404 . 1 . 1 41 41 GLU HB3 H 1 1.858 0.020 . 2 . . . . . 41 GLU HB3 . 28118 1 405 . 1 . 1 41 41 GLU HG2 H 1 1.970 0.020 . 2 . . . . . 41 GLU HG2 . 28118 1 406 . 1 . 1 41 41 GLU HG3 H 1 1.853 0.020 . 2 . . . . . 41 GLU HG3 . 28118 1 407 . 1 . 1 41 41 GLU C C 13 174.401 0.3 . 1 . . . . . 41 GLU C . 28118 1 408 . 1 . 1 41 41 GLU CA C 13 54.795 0.3 . 1 . . . . . 41 GLU CA . 28118 1 409 . 1 . 1 41 41 GLU CB C 13 31.736 0.3 . 1 . . . . . 41 GLU CB . 28118 1 410 . 1 . 1 41 41 GLU CG C 13 35.597 0.3 . 1 . . . . . 41 GLU CG . 28118 1 411 . 1 . 1 41 41 GLU N N 15 120.418 0.3 . 1 . . . . . 41 GLU N . 28118 1 412 . 1 . 1 42 42 ALA H H 1 8.443 0.020 . 1 . . . . . 42 ALA H . 28118 1 413 . 1 . 1 42 42 ALA HA H 1 3.842 0.020 . 1 . . . . . 42 ALA HA . 28118 1 414 . 1 . 1 42 42 ALA HB1 H 1 0.742 0.020 . 1 . . . . . 42 ALA HB . 28118 1 415 . 1 . 1 42 42 ALA HB2 H 1 0.742 0.020 . 1 . . . . . 42 ALA HB . 28118 1 416 . 1 . 1 42 42 ALA HB3 H 1 0.742 0.020 . 1 . . . . . 42 ALA HB . 28118 1 417 . 1 . 1 42 42 ALA C C 13 176.500 0.3 . 1 . . . . . 42 ALA C . 28118 1 418 . 1 . 1 42 42 ALA CA C 13 51.728 0.3 . 1 . . . . . 42 ALA CA . 28118 1 419 . 1 . 1 42 42 ALA CB C 13 18.222 0.3 . 1 . . . . . 42 ALA CB . 28118 1 420 . 1 . 1 42 42 ALA N N 15 126.594 0.3 . 1 . . . . . 42 ALA N . 28118 1 421 . 1 . 1 43 43 TYR H H 1 7.551 0.020 . 1 . . . . . 43 TYR H . 28118 1 422 . 1 . 1 43 43 TYR HA H 1 4.368 0.020 . 1 . . . . . 43 TYR HA . 28118 1 423 . 1 . 1 43 43 TYR HB2 H 1 2.841 0.020 . 1 . . . . . 43 TYR HB2 . 28118 1 424 . 1 . 1 43 43 TYR HB3 H 1 2.841 0.020 . 1 . . . . . 43 TYR HB3 . 28118 1 425 . 1 . 1 43 43 TYR C C 13 175.701 0.3 . 1 . . . . . 43 TYR C . 28118 1 426 . 1 . 1 43 43 TYR CA C 13 57.256 0.3 . 1 . . . . . 43 TYR CA . 28118 1 427 . 1 . 1 43 43 TYR CB C 13 41.160 0.3 . 1 . . . . . 43 TYR CB . 28118 1 428 . 1 . 1 43 43 TYR N N 15 121.554 0.3 . 1 . . . . . 43 TYR N . 28118 1 429 . 1 . 1 44 44 SER H H 1 8.995 0.020 . 1 . . . . . 44 SER H . 28118 1 430 . 1 . 1 44 44 SER HA H 1 4.241 0.020 . 1 . . . . . 44 SER HA . 28118 1 431 . 1 . 1 44 44 SER HB2 H 1 4.082 0.020 . 1 . . . . . 44 SER HB2 . 28118 1 432 . 1 . 1 44 44 SER HB3 H 1 4.082 0.020 . 1 . . . . . 44 SER HB3 . 28118 1 433 . 1 . 1 44 44 SER CA C 13 58.769 0.3 . 1 . . . . . 44 SER CA . 28118 1 434 . 1 . 1 44 44 SER CB C 13 62.984 0.3 . 1 . . . . . 44 SER CB . 28118 1 435 . 1 . 1 44 44 SER N N 15 115.499 0.3 . 1 . . . . . 44 SER N . 28118 1 436 . 1 . 1 45 45 ASP C C 13 176.773 0.3 . 1 . . . . . 45 ASP C . 28118 1 437 . 1 . 1 45 45 ASP CA C 13 60.185 0.3 . 1 . . . . . 45 ASP CA . 28118 1 438 . 1 . 1 45 45 ASP CB C 13 39.591 0.3 . 1 . . . . . 45 ASP CB . 28118 1 439 . 1 . 1 46 46 ASP H H 1 8.273 0.020 . 1 . . . . . 46 ASP H . 28118 1 440 . 1 . 1 46 46 ASP HA H 1 4.990 0.020 . 1 . . . . . 46 ASP HA . 28118 1 441 . 1 . 1 46 46 ASP HB2 H 1 2.410 0.020 . 2 . . . . . 46 ASP HB2 . 28118 1 442 . 1 . 1 46 46 ASP HB3 H 1 2.294 0.020 . 2 . . . . . 46 ASP HB3 . 28118 1 443 . 1 . 1 46 46 ASP C C 13 177.271 0.3 . 1 . . . . . 46 ASP C . 28118 1 444 . 1 . 1 46 46 ASP CA C 13 57.356 0.3 . 1 . . . . . 46 ASP CA . 28118 1 445 . 1 . 1 46 46 ASP CB C 13 39.629 0.3 . 1 . . . . . 46 ASP CB . 28118 1 446 . 1 . 1 46 46 ASP N N 15 117.128 0.3 . 1 . . . . . 46 ASP N . 28118 1 447 . 1 . 1 47 47 VAL H H 1 7.312 0.020 . 1 . . . . . 47 VAL H . 28118 1 448 . 1 . 1 47 47 VAL HA H 1 3.518 0.020 . 1 . . . . . 47 VAL HA . 28118 1 449 . 1 . 1 47 47 VAL HB H 1 1.966 0.020 . 1 . . . . . 47 VAL HB . 28118 1 450 . 1 . 1 47 47 VAL HG11 H 1 0.659 0.020 . 1 . . . . . 47 VAL HG1 . 28118 1 451 . 1 . 1 47 47 VAL HG12 H 1 0.659 0.020 . 1 . . . . . 47 VAL HG1 . 28118 1 452 . 1 . 1 47 47 VAL HG13 H 1 0.659 0.020 . 1 . . . . . 47 VAL HG1 . 28118 1 453 . 1 . 1 47 47 VAL HG21 H 1 1.183 0.020 . 1 . . . . . 47 VAL HG2 . 28118 1 454 . 1 . 1 47 47 VAL HG22 H 1 1.183 0.020 . 1 . . . . . 47 VAL HG2 . 28118 1 455 . 1 . 1 47 47 VAL HG23 H 1 1.183 0.020 . 1 . . . . . 47 VAL HG2 . 28118 1 456 . 1 . 1 47 47 VAL C C 13 177.219 0.3 . 1 . . . . . 47 VAL C . 28118 1 457 . 1 . 1 47 47 VAL CA C 13 66.621 0.3 . 1 . . . . . 47 VAL CA . 28118 1 458 . 1 . 1 47 47 VAL CB C 13 32.429 0.3 . 1 . . . . . 47 VAL CB . 28118 1 459 . 1 . 1 47 47 VAL CG1 C 13 20.602 0.3 . 1 . . . . . 47 VAL CG1 . 28118 1 460 . 1 . 1 47 47 VAL CG2 C 13 22.754 0.3 . 1 . . . . . 47 VAL CG2 . 28118 1 461 . 1 . 1 47 47 VAL N N 15 117.736 0.3 . 1 . . . . . 47 VAL N . 28118 1 462 . 1 . 1 48 48 THR H H 1 6.825 0.020 . 1 . . . . . 48 THR H . 28118 1 463 . 1 . 1 48 48 THR HA H 1 3.505 0.020 . 1 . . . . . 48 THR HA . 28118 1 464 . 1 . 1 48 48 THR HB H 1 3.588 0.020 . 1 . . . . . 48 THR HB . 28118 1 465 . 1 . 1 48 48 THR HG21 H 1 0.646 0.020 . 1 . . . . . 48 THR HG2 . 28118 1 466 . 1 . 1 48 48 THR HG22 H 1 0.646 0.020 . 1 . . . . . 48 THR HG2 . 28118 1 467 . 1 . 1 48 48 THR HG23 H 1 0.646 0.020 . 1 . . . . . 48 THR HG2 . 28118 1 468 . 1 . 1 48 48 THR C C 13 176.052 0.3 . 1 . . . . . 48 THR C . 28118 1 469 . 1 . 1 48 48 THR CA C 13 66.680 0.3 . 1 . . . . . 48 THR CA . 28118 1 470 . 1 . 1 48 48 THR CB C 13 68.653 0.3 . 1 . . . . . 48 THR CB . 28118 1 471 . 1 . 1 48 48 THR CG2 C 13 20.530 0.3 . 1 . . . . . 48 THR CG2 . 28118 1 472 . 1 . 1 48 48 THR N N 15 114.821 0.3 . 1 . . . . . 48 THR N . 28118 1 473 . 1 . 1 49 49 TYR H H 1 7.341 0.020 . 1 . . . . . 49 TYR H . 28118 1 474 . 1 . 1 49 49 TYR HA H 1 3.994 0.020 . 1 . . . . . 49 TYR HA . 28118 1 475 . 1 . 1 49 49 TYR HB2 H 1 3.060 0.020 . 2 . . . . . 49 TYR HB2 . 28118 1 476 . 1 . 1 49 49 TYR HB3 H 1 2.686 0.020 . 2 . . . . . 49 TYR HB3 . 28118 1 477 . 1 . 1 49 49 TYR C C 13 179.995 0.3 . 1 . . . . . 49 TYR C . 28118 1 478 . 1 . 1 49 49 TYR CA C 13 61.355 0.3 . 1 . . . . . 49 TYR CA . 28118 1 479 . 1 . 1 49 49 TYR CB C 13 36.685 0.3 . 1 . . . . . 49 TYR CB . 28118 1 480 . 1 . 1 49 49 TYR N N 15 118.316 0.3 . 1 . . . . . 49 TYR N . 28118 1 481 . 1 . 1 50 50 HIS H H 1 8.991 0.020 . 1 . . . . . 50 HIS H . 28118 1 482 . 1 . 1 50 50 HIS HA H 1 4.567 0.020 . 1 . . . . . 50 HIS HA . 28118 1 483 . 1 . 1 50 50 HIS HB2 H 1 1.542 0.020 . 1 . . . . . 50 HIS HB2 . 28118 1 484 . 1 . 1 50 50 HIS HB3 H 1 1.542 0.020 . 1 . . . . . 50 HIS HB3 . 28118 1 485 . 1 . 1 50 50 HIS C C 13 178.736 0.3 . 1 . . . . . 50 HIS C . 28118 1 486 . 1 . 1 50 50 HIS CA C 13 57.790 0.3 . 1 . . . . . 50 HIS CA . 28118 1 487 . 1 . 1 50 50 HIS CB C 13 28.722 0.3 . 1 . . . . . 50 HIS CB . 28118 1 488 . 1 . 1 50 50 HIS N N 15 118.746 0.3 . 1 . . . . . 50 HIS N . 28118 1 489 . 1 . 1 51 51 LEU H H 1 8.025 0.020 . 1 . . . . . 51 LEU H . 28118 1 490 . 1 . 1 51 51 LEU HA H 1 3.751 0.020 . 1 . . . . . 51 LEU HA . 28118 1 491 . 1 . 1 51 51 LEU HB2 H 1 2.138 0.020 . 1 . . . . . 51 LEU HB2 . 28118 1 492 . 1 . 1 51 51 LEU HB3 H 1 2.138 0.020 . 1 . . . . . 51 LEU HB3 . 28118 1 493 . 1 . 1 51 51 LEU HG H 1 1.143 0.020 . 1 . . . . . 51 LEU HG . 28118 1 494 . 1 . 1 51 51 LEU HD11 H 1 0.620 0.020 . 1 . . . . . 51 LEU HD1 . 28118 1 495 . 1 . 1 51 51 LEU HD12 H 1 0.620 0.020 . 1 . . . . . 51 LEU HD1 . 28118 1 496 . 1 . 1 51 51 LEU HD13 H 1 0.620 0.020 . 1 . . . . . 51 LEU HD1 . 28118 1 497 . 1 . 1 51 51 LEU HD21 H 1 0.723 0.020 . 1 . . . . . 51 LEU HD2 . 28118 1 498 . 1 . 1 51 51 LEU HD22 H 1 0.723 0.020 . 1 . . . . . 51 LEU HD2 . 28118 1 499 . 1 . 1 51 51 LEU HD23 H 1 0.723 0.020 . 1 . . . . . 51 LEU HD2 . 28118 1 500 . 1 . 1 51 51 LEU C C 13 178.113 0.3 . 1 . . . . . 51 LEU C . 28118 1 501 . 1 . 1 51 51 LEU CA C 13 58.482 0.3 . 1 . . . . . 51 LEU CA . 28118 1 502 . 1 . 1 51 51 LEU CB C 13 42.581 0.3 . 1 . . . . . 51 LEU CB . 28118 1 503 . 1 . 1 51 51 LEU CG C 13 28.802 0.3 . 1 . . . . . 51 LEU CG . 28118 1 504 . 1 . 1 51 51 LEU CD1 C 13 25.584 0.3 . 1 . . . . . 51 LEU CD1 . 28118 1 505 . 1 . 1 51 51 LEU CD2 C 13 23.851 0.3 . 1 . . . . . 51 LEU CD2 . 28118 1 506 . 1 . 1 51 51 LEU N N 15 121.533 0.3 . 1 . . . . . 51 LEU N . 28118 1 507 . 1 . 1 52 52 VAL H H 1 7.963 0.020 . 1 . . . . . 52 VAL H . 28118 1 508 . 1 . 1 52 52 VAL HA H 1 3.244 0.020 . 1 . . . . . 52 VAL HA . 28118 1 509 . 1 . 1 52 52 VAL HB H 1 1.877 0.020 . 1 . . . . . 52 VAL HB . 28118 1 510 . 1 . 1 52 52 VAL HG11 H 1 0.775 0.020 . 1 . . . . . 52 VAL HG1 . 28118 1 511 . 1 . 1 52 52 VAL HG12 H 1 0.775 0.020 . 1 . . . . . 52 VAL HG1 . 28118 1 512 . 1 . 1 52 52 VAL HG13 H 1 0.775 0.020 . 1 . . . . . 52 VAL HG1 . 28118 1 513 . 1 . 1 52 52 VAL HG21 H 1 0.575 0.020 . 1 . . . . . 52 VAL HG2 . 28118 1 514 . 1 . 1 52 52 VAL HG22 H 1 0.575 0.020 . 1 . . . . . 52 VAL HG2 . 28118 1 515 . 1 . 1 52 52 VAL HG23 H 1 0.575 0.020 . 1 . . . . . 52 VAL HG2 . 28118 1 516 . 1 . 1 52 52 VAL C C 13 178.033 0.3 . 1 . . . . . 52 VAL C . 28118 1 517 . 1 . 1 52 52 VAL CA C 13 67.488 0.3 . 1 . . . . . 52 VAL CA . 28118 1 518 . 1 . 1 52 52 VAL CB C 13 31.205 0.3 . 1 . . . . . 52 VAL CB . 28118 1 519 . 1 . 1 52 52 VAL CG1 C 13 20.862 0.3 . 1 . . . . . 52 VAL CG1 . 28118 1 520 . 1 . 1 52 52 VAL CG2 C 13 22.038 0.3 . 1 . . . . . 52 VAL CG2 . 28118 1 521 . 1 . 1 52 52 VAL N N 15 118.434 0.3 . 1 . . . . . 52 VAL N . 28118 1 522 . 1 . 1 53 53 GLY H H 1 8.201 0.020 . 1 . . . . . 53 GLY H . 28118 1 523 . 1 . 1 53 53 GLY HA2 H 1 4.052 0.020 . 1 . . . . . 53 GLY HA2 . 28118 1 524 . 1 . 1 53 53 GLY HA3 H 1 4.052 0.020 . 1 . . . . . 53 GLY HA3 . 28118 1 525 . 1 . 1 53 53 GLY C C 13 176.622 0.3 . 1 . . . . . 53 GLY C . 28118 1 526 . 1 . 1 53 53 GLY CA C 13 47.220 0.3 . 1 . . . . . 53 GLY CA . 28118 1 527 . 1 . 1 53 53 GLY N N 15 105.830 0.3 . 1 . . . . . 53 GLY N . 28118 1 528 . 1 . 1 54 54 ALA H H 1 8.188 0.020 . 1 . . . . . 54 ALA H . 28118 1 529 . 1 . 1 54 54 ALA HA H 1 4.092 0.020 . 1 . . . . . 54 ALA HA . 28118 1 530 . 1 . 1 54 54 ALA HB1 H 1 1.347 0.020 . 1 . . . . . 54 ALA HB . 28118 1 531 . 1 . 1 54 54 ALA HB2 H 1 1.347 0.020 . 1 . . . . . 54 ALA HB . 28118 1 532 . 1 . 1 54 54 ALA HB3 H 1 1.347 0.020 . 1 . . . . . 54 ALA HB . 28118 1 533 . 1 . 1 54 54 ALA C C 13 179.087 0.3 . 1 . . . . . 54 ALA C . 28118 1 534 . 1 . 1 54 54 ALA CA C 13 54.830 0.3 . 1 . . . . . 54 ALA CA . 28118 1 535 . 1 . 1 54 54 ALA CB C 13 19.912 0.3 . 1 . . . . . 54 ALA CB . 28118 1 536 . 1 . 1 54 54 ALA N N 15 124.248 0.3 . 1 . . . . . 54 ALA N . 28118 1 537 . 1 . 1 55 55 ALA H H 1 8.620 0.020 . 1 . . . . . 55 ALA H . 28118 1 538 . 1 . 1 55 55 ALA HA H 1 3.949 0.020 . 1 . . . . . 55 ALA HA . 28118 1 539 . 1 . 1 55 55 ALA HB1 H 1 1.405 0.020 . 1 . . . . . 55 ALA HB . 28118 1 540 . 1 . 1 55 55 ALA HB2 H 1 1.405 0.020 . 1 . . . . . 55 ALA HB . 28118 1 541 . 1 . 1 55 55 ALA HB3 H 1 1.405 0.020 . 1 . . . . . 55 ALA HB . 28118 1 542 . 1 . 1 55 55 ALA C C 13 178.589 0.3 . 1 . . . . . 55 ALA C . 28118 1 543 . 1 . 1 55 55 ALA CA C 13 54.837 0.3 . 1 . . . . . 55 ALA CA . 28118 1 544 . 1 . 1 55 55 ALA CB C 13 17.913 0.3 . 1 . . . . . 55 ALA CB . 28118 1 545 . 1 . 1 55 55 ALA N N 15 119.934 0.3 . 1 . . . . . 55 ALA N . 28118 1 546 . 1 . 1 56 56 SER H H 1 8.119 0.020 . 1 . . . . . 56 SER H . 28118 1 547 . 1 . 1 56 56 SER HA H 1 4.247 0.020 . 1 . . . . . 56 SER HA . 28118 1 548 . 1 . 1 56 56 SER HB2 H 1 3.998 0.020 . 2 . . . . . 56 SER HB2 . 28118 1 549 . 1 . 1 56 56 SER HB3 H 1 3.873 0.020 . 2 . . . . . 56 SER HB3 . 28118 1 550 . 1 . 1 56 56 SER C C 13 178.636 0.3 . 1 . . . . . 56 SER C . 28118 1 551 . 1 . 1 56 56 SER CA C 13 60.747 0.3 . 1 . . . . . 56 SER CA . 28118 1 552 . 1 . 1 56 56 SER CB C 13 62.729 0.3 . 1 . . . . . 56 SER CB . 28118 1 553 . 1 . 1 56 56 SER N N 15 112.626 0.3 . 1 . . . . . 56 SER N . 28118 1 554 . 1 . 1 57 57 GLU H H 1 7.451 0.020 . 1 . . . . . 57 GLU H . 28118 1 555 . 1 . 1 57 57 GLU HA H 1 3.991 0.020 . 1 . . . . . 57 GLU HA . 28118 1 556 . 1 . 1 57 57 GLU HB2 H 1 2.080 0.020 . 2 . . . . . 57 GLU HB2 . 28118 1 557 . 1 . 1 57 57 GLU HB3 H 1 1.959 0.020 . 2 . . . . . 57 GLU HB3 . 28118 1 558 . 1 . 1 57 57 GLU HG2 H 1 2.173 0.020 . 2 . . . . . 57 GLU HG2 . 28118 1 559 . 1 . 1 57 57 GLU HG3 H 1 2.091 0.020 . 2 . . . . . 57 GLU HG3 . 28118 1 560 . 1 . 1 57 57 GLU C C 13 179.121 0.3 . 1 . . . . . 57 GLU C . 28118 1 561 . 1 . 1 57 57 GLU CA C 13 59.340 0.3 . 1 . . . . . 57 GLU CA . 28118 1 562 . 1 . 1 57 57 GLU CB C 13 29.812 0.3 . 1 . . . . . 57 GLU CB . 28118 1 563 . 1 . 1 57 57 GLU CG C 13 36.212 0.3 . 1 . . . . . 57 GLU CG . 28118 1 564 . 1 . 1 57 57 GLU N N 15 119.696 0.3 . 1 . . . . . 57 GLU N . 28118 1 565 . 1 . 1 58 58 VAL H H 1 8.402 0.020 . 1 . . . . . 58 VAL H . 28118 1 566 . 1 . 1 58 58 VAL HA H 1 3.523 0.020 . 1 . . . . . 58 VAL HA . 28118 1 567 . 1 . 1 58 58 VAL HB H 1 1.650 0.020 . 1 . . . . . 58 VAL HB . 28118 1 568 . 1 . 1 58 58 VAL HG11 H 1 0.765 0.020 . 1 . . . . . 58 VAL HG1 . 28118 1 569 . 1 . 1 58 58 VAL HG12 H 1 0.765 0.020 . 1 . . . . . 58 VAL HG1 . 28118 1 570 . 1 . 1 58 58 VAL HG13 H 1 0.765 0.020 . 1 . . . . . 58 VAL HG1 . 28118 1 571 . 1 . 1 58 58 VAL HG21 H 1 0.824 0.020 . 1 . . . . . 58 VAL HG2 . 28118 1 572 . 1 . 1 58 58 VAL HG22 H 1 0.824 0.020 . 1 . . . . . 58 VAL HG2 . 28118 1 573 . 1 . 1 58 58 VAL HG23 H 1 0.824 0.020 . 1 . . . . . 58 VAL HG2 . 28118 1 574 . 1 . 1 58 58 VAL C C 13 178.178 0.3 . 1 . . . . . 58 VAL C . 28118 1 575 . 1 . 1 58 58 VAL CA C 13 66.077 0.3 . 1 . . . . . 58 VAL CA . 28118 1 576 . 1 . 1 58 58 VAL CB C 13 32.285 0.3 . 1 . . . . . 58 VAL CB . 28118 1 577 . 1 . 1 58 58 VAL CG1 C 13 20.622 0.3 . 1 . . . . . 58 VAL CG1 . 28118 1 578 . 1 . 1 58 58 VAL CG2 C 13 22.757 0.3 . 1 . . . . . 58 VAL CG2 . 28118 1 579 . 1 . 1 58 58 VAL N N 15 119.090 0.3 . 1 . . . . . 58 VAL N . 28118 1 580 . 1 . 1 59 59 LEU H H 1 8.524 0.020 . 1 . . . . . 59 LEU H . 28118 1 581 . 1 . 1 59 59 LEU HA H 1 4.026 0.020 . 1 . . . . . 59 LEU HA . 28118 1 582 . 1 . 1 59 59 LEU HB2 H 1 1.648 0.020 . 1 . . . . . 59 LEU HB2 . 28118 1 583 . 1 . 1 59 59 LEU HB3 H 1 1.648 0.020 . 1 . . . . . 59 LEU HB3 . 28118 1 584 . 1 . 1 59 59 LEU HG H 1 1.455 0.020 . 1 . . . . . 59 LEU HG . 28118 1 585 . 1 . 1 59 59 LEU HD11 H 1 0.109 0.020 . 1 . . . . . 59 LEU HD1 . 28118 1 586 . 1 . 1 59 59 LEU HD12 H 1 0.109 0.020 . 1 . . . . . 59 LEU HD1 . 28118 1 587 . 1 . 1 59 59 LEU HD13 H 1 0.109 0.020 . 1 . . . . . 59 LEU HD1 . 28118 1 588 . 1 . 1 59 59 LEU HD21 H 1 0.802 0.020 . 1 . . . . . 59 LEU HD2 . 28118 1 589 . 1 . 1 59 59 LEU HD22 H 1 0.802 0.020 . 1 . . . . . 59 LEU HD2 . 28118 1 590 . 1 . 1 59 59 LEU HD23 H 1 0.802 0.020 . 1 . . . . . 59 LEU HD2 . 28118 1 591 . 1 . 1 59 59 LEU C C 13 177.952 0.3 . 1 . . . . . 59 LEU C . 28118 1 592 . 1 . 1 59 59 LEU CA C 13 55.019 0.3 . 1 . . . . . 59 LEU CA . 28118 1 593 . 1 . 1 59 59 LEU CB C 13 41.624 0.3 . 1 . . . . . 59 LEU CB . 28118 1 594 . 1 . 1 59 59 LEU CG C 13 26.555 0.3 . 1 . . . . . 59 LEU CG . 28118 1 595 . 1 . 1 59 59 LEU CD1 C 13 23.197 0.3 . 1 . . . . . 59 LEU CD1 . 28118 1 596 . 1 . 1 59 59 LEU CD2 C 13 25.199 0.3 . 1 . . . . . 59 LEU CD2 . 28118 1 597 . 1 . 1 59 59 LEU N N 15 114.964 0.3 . 1 . . . . . 59 LEU N . 28118 1 598 . 1 . 1 60 60 GLY H H 1 7.564 0.020 . 1 . . . . . 60 GLY H . 28118 1 599 . 1 . 1 60 60 GLY HA2 H 1 3.769 0.020 . 1 . . . . . 60 GLY HA2 . 28118 1 600 . 1 . 1 60 60 GLY HA3 H 1 3.769 0.020 . 1 . . . . . 60 GLY HA3 . 28118 1 601 . 1 . 1 60 60 GLY C C 13 174.362 0.3 . 1 . . . . . 60 GLY C . 28118 1 602 . 1 . 1 60 60 GLY CA C 13 46.660 0.3 . 1 . . . . . 60 GLY CA . 28118 1 603 . 1 . 1 60 60 GLY N N 15 108.755 0.3 . 1 . . . . . 60 GLY N . 28118 1 604 . 1 . 1 61 61 LYS H H 1 7.346 0.020 . 1 . . . . . 61 LYS H . 28118 1 605 . 1 . 1 61 61 LYS HA H 1 4.814 0.020 . 1 . . . . . 61 LYS HA . 28118 1 606 . 1 . 1 61 61 LYS HB2 H 1 1.525 0.020 . 2 . . . . . 61 LYS HB2 . 28118 1 607 . 1 . 1 61 61 LYS HB3 H 1 1.184 0.020 . 2 . . . . . 61 LYS HB3 . 28118 1 608 . 1 . 1 61 61 LYS HG2 H 1 1.232 0.020 . 1 . . . . . 61 LYS HG2 . 28118 1 609 . 1 . 1 61 61 LYS HG3 H 1 1.232 0.020 . 1 . . . . . 61 LYS HG3 . 28118 1 610 . 1 . 1 61 61 LYS HD2 H 1 1.538 0.020 . 2 . . . . . 61 LYS HD2 . 28118 1 611 . 1 . 1 61 61 LYS HD3 H 1 1.446 0.020 . 2 . . . . . 61 LYS HD3 . 28118 1 612 . 1 . 1 61 61 LYS HE2 H 1 2.870 0.020 . 1 . . . . . 61 LYS HE2 . 28118 1 613 . 1 . 1 61 61 LYS HE3 H 1 2.870 0.020 . 1 . . . . . 61 LYS HE3 . 28118 1 614 . 1 . 1 61 61 LYS C C 13 172.971 0.3 . 1 . . . . . 61 LYS C . 28118 1 615 . 1 . 1 61 61 LYS CA C 13 52.004 0.3 . 1 . . . . . 61 LYS CA . 28118 1 616 . 1 . 1 61 61 LYS CB C 13 35.687 0.3 . 1 . . . . . 61 LYS CB . 28118 1 617 . 1 . 1 61 61 LYS CG C 13 23.776 0.3 . 1 . . . . . 61 LYS CG . 28118 1 618 . 1 . 1 61 61 LYS CD C 13 29.030 0.3 . 1 . . . . . 61 LYS CD . 28118 1 619 . 1 . 1 61 61 LYS CE C 13 41.579 0.3 . 1 . . . . . 61 LYS CE . 28118 1 620 . 1 . 1 61 61 LYS N N 15 117.551 0.3 . 1 . . . . . 61 LYS N . 28118 1 621 . 1 . 1 62 62 PRO C C 13 177.233 0.3 . 1 . . . . . 62 PRO C . 28118 1 622 . 1 . 1 62 62 PRO CA C 13 62.421 0.3 . 1 . . . . . 62 PRO CA . 28118 1 623 . 1 . 1 62 62 PRO CB C 13 32.574 0.3 . 1 . . . . . 62 PRO CB . 28118 1 624 . 1 . 1 63 63 ALA H H 1 8.975 0.020 . 1 . . . . . 63 ALA H . 28118 1 625 . 1 . 1 63 63 ALA HA H 1 3.710 0.020 . 1 . . . . . 63 ALA HA . 28118 1 626 . 1 . 1 63 63 ALA HB1 H 1 1.312 0.020 . 1 . . . . . 63 ALA HB . 28118 1 627 . 1 . 1 63 63 ALA HB2 H 1 1.312 0.020 . 1 . . . . . 63 ALA HB . 28118 1 628 . 1 . 1 63 63 ALA HB3 H 1 1.312 0.020 . 1 . . . . . 63 ALA HB . 28118 1 629 . 1 . 1 63 63 ALA C C 13 179.230 0.3 . 1 . . . . . 63 ALA C . 28118 1 630 . 1 . 1 63 63 ALA CA C 13 55.763 0.3 . 1 . . . . . 63 ALA CA . 28118 1 631 . 1 . 1 63 63 ALA CB C 13 17.948 0.3 . 1 . . . . . 63 ALA CB . 28118 1 632 . 1 . 1 63 63 ALA N N 15 127.359 0.3 . 1 . . . . . 63 ALA N . 28118 1 633 . 1 . 1 64 64 GLU H H 1 9.270 0.020 . 1 . . . . . 64 GLU H . 28118 1 634 . 1 . 1 64 64 GLU HA H 1 3.734 0.020 . 1 . . . . . 64 GLU HA . 28118 1 635 . 1 . 1 64 64 GLU HB2 H 1 2.057 0.020 . 2 . . . . . 64 GLU HB2 . 28118 1 636 . 1 . 1 64 64 GLU HB3 H 1 1.946 0.020 . 2 . . . . . 64 GLU HB3 . 28118 1 637 . 1 . 1 64 64 GLU HG2 H 1 2.288 0.020 . 1 . . . . . 64 GLU HG2 . 28118 1 638 . 1 . 1 64 64 GLU HG3 H 1 2.288 0.020 . 1 . . . . . 64 GLU HG3 . 28118 1 639 . 1 . 1 64 64 GLU C C 13 177.611 0.3 . 1 . . . . . 64 GLU C . 28118 1 640 . 1 . 1 64 64 GLU CA C 13 60.721 0.3 . 1 . . . . . 64 GLU CA . 28118 1 641 . 1 . 1 64 64 GLU CB C 13 29.004 0.3 . 1 . . . . . 64 GLU CB . 28118 1 642 . 1 . 1 64 64 GLU CG C 13 36.196 0.3 . 1 . . . . . 64 GLU CG . 28118 1 643 . 1 . 1 64 64 GLU N N 15 114.613 0.3 . 1 . . . . . 64 GLU N . 28118 1 644 . 1 . 1 65 65 GLU H H 1 6.822 0.020 . 1 . . . . . 65 GLU H . 28118 1 645 . 1 . 1 65 65 GLU HA H 1 3.896 0.020 . 1 . . . . . 65 GLU HA . 28118 1 646 . 1 . 1 65 65 GLU HB2 H 1 2.076 0.020 . 1 . . . . . 65 GLU HB2 . 28118 1 647 . 1 . 1 65 65 GLU HB3 H 1 2.076 0.020 . 1 . . . . . 65 GLU HB3 . 28118 1 648 . 1 . 1 65 65 GLU HG2 H 1 1.979 0.020 . 1 . . . . . 65 GLU HG2 . 28118 1 649 . 1 . 1 65 65 GLU HG3 H 1 1.979 0.020 . 1 . . . . . 65 GLU HG3 . 28118 1 650 . 1 . 1 65 65 GLU C C 13 180.214 0.3 . 1 . . . . . 65 GLU C . 28118 1 651 . 1 . 1 65 65 GLU CA C 13 59.307 0.3 . 1 . . . . . 65 GLU CA . 28118 1 652 . 1 . 1 65 65 GLU CB C 13 29.604 0.3 . 1 . . . . . 65 GLU CB . 28118 1 653 . 1 . 1 65 65 GLU CG C 13 36.179 0.3 . 1 . . . . . 65 GLU CG . 28118 1 654 . 1 . 1 65 65 GLU N N 15 115.791 0.3 . 1 . . . . . 65 GLU N . 28118 1 655 . 1 . 1 66 66 LEU H H 1 7.400 0.020 . 1 . . . . . 66 LEU H . 28118 1 656 . 1 . 1 66 66 LEU HA H 1 3.930 0.020 . 1 . . . . . 66 LEU HA . 28118 1 657 . 1 . 1 66 66 LEU HB2 H 1 1.476 0.020 . 1 . . . . . 66 LEU HB2 . 28118 1 658 . 1 . 1 66 66 LEU HB3 H 1 1.476 0.020 . 1 . . . . . 66 LEU HB3 . 28118 1 659 . 1 . 1 66 66 LEU HG H 1 1.895 0.020 . 1 . . . . . 66 LEU HG . 28118 1 660 . 1 . 1 66 66 LEU HD11 H 1 0.629 0.020 . 1 . . . . . 66 LEU HD1 . 28118 1 661 . 1 . 1 66 66 LEU HD12 H 1 0.629 0.020 . 1 . . . . . 66 LEU HD1 . 28118 1 662 . 1 . 1 66 66 LEU HD13 H 1 0.629 0.020 . 1 . . . . . 66 LEU HD1 . 28118 1 663 . 1 . 1 66 66 LEU C C 13 178.527 0.3 . 1 . . . . . 66 LEU C . 28118 1 664 . 1 . 1 66 66 LEU CA C 13 57.377 0.3 . 1 . . . . . 66 LEU CA . 28118 1 665 . 1 . 1 66 66 LEU CB C 13 41.880 0.3 . 1 . . . . . 66 LEU CB . 28118 1 666 . 1 . 1 66 66 LEU CG C 13 26.201 0.3 . 1 . . . . . 66 LEU CG . 28118 1 667 . 1 . 1 66 66 LEU CD1 C 13 25.033 0.3 . 1 . . . . . 66 LEU CD1 . 28118 1 668 . 1 . 1 66 66 LEU CD2 C 13 22.449 0.3 . 1 . . . . . 66 LEU CD2 . 28118 1 669 . 1 . 1 66 66 LEU N N 15 120.452 0.3 . 1 . . . . . 66 LEU N . 28118 1 670 . 1 . 1 67 67 LEU H H 1 8.431 0.020 . 1 . . . . . 67 LEU H . 28118 1 671 . 1 . 1 67 67 LEU HA H 1 3.968 0.020 . 1 . . . . . 67 LEU HA . 28118 1 672 . 1 . 1 67 67 LEU HB2 H 1 1.977 0.020 . 1 . . . . . 67 LEU HB2 . 28118 1 673 . 1 . 1 67 67 LEU HB3 H 1 1.977 0.020 . 1 . . . . . 67 LEU HB3 . 28118 1 674 . 1 . 1 67 67 LEU HG H 1 0.902 0.020 . 1 . . . . . 67 LEU HG . 28118 1 675 . 1 . 1 67 67 LEU HD11 H 1 0.718 0.020 . 1 . . . . . 67 LEU HD1 . 28118 1 676 . 1 . 1 67 67 LEU HD12 H 1 0.718 0.020 . 1 . . . . . 67 LEU HD1 . 28118 1 677 . 1 . 1 67 67 LEU HD13 H 1 0.718 0.020 . 1 . . . . . 67 LEU HD1 . 28118 1 678 . 1 . 1 67 67 LEU HD21 H 1 0.661 0.020 . 1 . . . . . 67 LEU HD2 . 28118 1 679 . 1 . 1 67 67 LEU HD22 H 1 0.661 0.020 . 1 . . . . . 67 LEU HD2 . 28118 1 680 . 1 . 1 67 67 LEU HD23 H 1 0.661 0.020 . 1 . . . . . 67 LEU HD2 . 28118 1 681 . 1 . 1 67 67 LEU C C 13 179.155 0.3 . 1 . . . . . 67 LEU C . 28118 1 682 . 1 . 1 67 67 LEU CA C 13 58.191 0.3 . 1 . . . . . 67 LEU CA . 28118 1 683 . 1 . 1 67 67 LEU CB C 13 43.273 0.3 . 1 . . . . . 67 LEU CB . 28118 1 684 . 1 . 1 67 67 LEU CG C 13 26.827 0.3 . 1 . . . . . 67 LEU CG . 28118 1 685 . 1 . 1 67 67 LEU CD1 C 13 22.459 0.3 . 1 . . . . . 67 LEU CD1 . 28118 1 686 . 1 . 1 67 67 LEU CD2 C 13 25.329 0.3 . 1 . . . . . 67 LEU CD2 . 28118 1 687 . 1 . 1 67 67 LEU N N 15 119.108 0.3 . 1 . . . . . 67 LEU N . 28118 1 688 . 1 . 1 68 68 ILE H H 1 7.981 0.020 . 1 . . . . . 68 ILE H . 28118 1 689 . 1 . 1 68 68 ILE HA H 1 3.652 0.020 . 1 . . . . . 68 ILE HA . 28118 1 690 . 1 . 1 68 68 ILE HB H 1 1.659 0.020 . 1 . . . . . 68 ILE HB . 28118 1 691 . 1 . 1 68 68 ILE HG12 H 1 1.101 0.020 . 1 . . . . . 68 ILE HG12 . 28118 1 692 . 1 . 1 68 68 ILE HG13 H 1 1.101 0.020 . 1 . . . . . 68 ILE HG13 . 28118 1 693 . 1 . 1 68 68 ILE HG21 H 1 0.806 0.020 . 1 . . . . . 68 ILE HG2 . 28118 1 694 . 1 . 1 68 68 ILE HG22 H 1 0.806 0.020 . 1 . . . . . 68 ILE HG2 . 28118 1 695 . 1 . 1 68 68 ILE HG23 H 1 0.806 0.020 . 1 . . . . . 68 ILE HG2 . 28118 1 696 . 1 . 1 68 68 ILE HD11 H 1 0.840 0.020 . 1 . . . . . 68 ILE HD1 . 28118 1 697 . 1 . 1 68 68 ILE HD12 H 1 0.840 0.020 . 1 . . . . . 68 ILE HD1 . 28118 1 698 . 1 . 1 68 68 ILE HD13 H 1 0.840 0.020 . 1 . . . . . 68 ILE HD1 . 28118 1 699 . 1 . 1 68 68 ILE C C 13 178.738 0.3 . 1 . . . . . 68 ILE C . 28118 1 700 . 1 . 1 68 68 ILE CA C 13 66.093 0.3 . 1 . . . . . 68 ILE CA . 28118 1 701 . 1 . 1 68 68 ILE CB C 13 39.111 0.3 . 1 . . . . . 68 ILE CB . 28118 1 702 . 1 . 1 68 68 ILE CG1 C 13 29.715 0.3 . 1 . . . . . 68 ILE CG1 . 28118 1 703 . 1 . 1 68 68 ILE CG2 C 13 17.126 0.3 . 1 . . . . . 68 ILE CG2 . 28118 1 704 . 1 . 1 68 68 ILE CD1 C 13 14.035 0.3 . 1 . . . . . 68 ILE CD1 . 28118 1 705 . 1 . 1 68 68 ILE N N 15 121.320 0.3 . 1 . . . . . 68 ILE N . 28118 1 706 . 1 . 1 69 69 ALA H H 1 7.445 0.020 . 1 . . . . . 69 ALA H . 28118 1 707 . 1 . 1 69 69 ALA HA H 1 3.897 0.020 . 1 . . . . . 69 ALA HA . 28118 1 708 . 1 . 1 69 69 ALA HB1 H 1 1.459 0.020 . 1 . . . . . 69 ALA HB . 28118 1 709 . 1 . 1 69 69 ALA HB2 H 1 1.459 0.020 . 1 . . . . . 69 ALA HB . 28118 1 710 . 1 . 1 69 69 ALA HB3 H 1 1.459 0.020 . 1 . . . . . 69 ALA HB . 28118 1 711 . 1 . 1 69 69 ALA C C 13 180.981 0.3 . 1 . . . . . 69 ALA C . 28118 1 712 . 1 . 1 69 69 ALA CA C 13 54.827 0.3 . 1 . . . . . 69 ALA CA . 28118 1 713 . 1 . 1 69 69 ALA CB C 13 17.667 0.3 . 1 . . . . . 69 ALA CB . 28118 1 714 . 1 . 1 69 69 ALA N N 15 120.866 0.3 . 1 . . . . . 69 ALA N . 28118 1 715 . 1 . 1 70 70 PHE H H 1 8.911 0.020 . 1 . . . . . 70 PHE H . 28118 1 716 . 1 . 1 70 70 PHE HA H 1 3.647 0.020 . 1 . . . . . 70 PHE HA . 28118 1 717 . 1 . 1 70 70 PHE HB2 H 1 2.939 0.020 . 2 . . . . . 70 PHE HB2 . 28118 1 718 . 1 . 1 70 70 PHE HB3 H 1 3.102 0.020 . 2 . . . . . 70 PHE HB3 . 28118 1 719 . 1 . 1 70 70 PHE C C 13 176.771 0.3 . 1 . . . . . 70 PHE C . 28118 1 720 . 1 . 1 70 70 PHE CA C 13 59.956 0.3 . 1 . . . . . 70 PHE CA . 28118 1 721 . 1 . 1 70 70 PHE CB C 13 38.976 0.3 . 1 . . . . . 70 PHE CB . 28118 1 722 . 1 . 1 70 70 PHE N N 15 119.456 0.3 . 1 . . . . . 70 PHE N . 28118 1 723 . 1 . 1 71 71 GLY H H 1 8.787 0.020 . 1 . . . . . 71 GLY H . 28118 1 724 . 1 . 1 71 71 GLY HA2 H 1 3.091 0.020 . 1 . . . . . 71 GLY HA2 . 28118 1 725 . 1 . 1 71 71 GLY HA3 H 1 3.091 0.020 . 1 . . . . . 71 GLY HA3 . 28118 1 726 . 1 . 1 71 71 GLY C C 13 173.598 0.3 . 1 . . . . . 71 GLY C . 28118 1 727 . 1 . 1 71 71 GLY CA C 13 48.033 0.3 . 1 . . . . . 71 GLY CA . 28118 1 728 . 1 . 1 71 71 GLY N N 15 107.157 0.3 . 1 . . . . . 71 GLY N . 28118 1 729 . 1 . 1 72 72 GLU H H 1 7.324 0.020 . 1 . . . . . 72 GLU H . 28118 1 730 . 1 . 1 72 72 GLU HA H 1 3.563 0.020 . 1 . . . . . 72 GLU HA . 28118 1 731 . 1 . 1 72 72 GLU HB2 H 1 2.085 0.020 . 1 . . . . . 72 GLU HB2 . 28118 1 732 . 1 . 1 72 72 GLU HB3 H 1 2.085 0.020 . 1 . . . . . 72 GLU HB3 . 28118 1 733 . 1 . 1 72 72 GLU HG2 H 1 2.112 0.020 . 1 . . . . . 72 GLU HG2 . 28118 1 734 . 1 . 1 72 72 GLU HG3 H 1 2.112 0.020 . 1 . . . . . 72 GLU HG3 . 28118 1 735 . 1 . 1 72 72 GLU C C 13 179.371 0.3 . 1 . . . . . 72 GLU C . 28118 1 736 . 1 . 1 72 72 GLU CA C 13 60.174 0.3 . 1 . . . . . 72 GLU CA . 28118 1 737 . 1 . 1 72 72 GLU CB C 13 29.487 0.3 . 1 . . . . . 72 GLU CB . 28118 1 738 . 1 . 1 72 72 GLU CG C 13 36.175 0.3 . 1 . . . . . 72 GLU CG . 28118 1 739 . 1 . 1 72 72 GLU N N 15 118.958 0.3 . 1 . . . . . 72 GLU N . 28118 1 740 . 1 . 1 73 73 TYR H H 1 8.235 0.020 . 1 . . . . . 73 TYR H . 28118 1 741 . 1 . 1 73 73 TYR HA H 1 4.007 0.020 . 1 . . . . . 73 TYR HA . 28118 1 742 . 1 . 1 73 73 TYR HB2 H 1 3.085 0.020 . 1 . . . . . 73 TYR HB2 . 28118 1 743 . 1 . 1 73 73 TYR HB3 H 1 3.085 0.020 . 1 . . . . . 73 TYR HB3 . 28118 1 744 . 1 . 1 73 73 TYR C C 13 177.050 0.3 . 1 . . . . . 73 TYR C . 28118 1 745 . 1 . 1 73 73 TYR CA C 13 61.610 0.3 . 1 . . . . . 73 TYR CA . 28118 1 746 . 1 . 1 73 73 TYR CB C 13 39.908 0.3 . 1 . . . . . 73 TYR CB . 28118 1 747 . 1 . 1 73 73 TYR N N 15 122.274 0.3 . 1 . . . . . 73 TYR N . 28118 1 748 . 1 . 1 74 74 TRP H H 1 8.725 0.020 . 1 . . . . . 74 TRP H . 28118 1 749 . 1 . 1 74 74 TRP HA H 1 3.938 0.020 . 1 . . . . . 74 TRP HA . 28118 1 750 . 1 . 1 74 74 TRP HB2 H 1 2.882 0.020 . 2 . . . . . 74 TRP HB2 . 28118 1 751 . 1 . 1 74 74 TRP HB3 H 1 2.821 0.020 . 2 . . . . . 74 TRP HB3 . 28118 1 752 . 1 . 1 74 74 TRP C C 13 177.123 0.3 . 1 . . . . . 74 TRP C . 28118 1 753 . 1 . 1 74 74 TRP CA C 13 59.887 0.3 . 1 . . . . . 74 TRP CA . 28118 1 754 . 1 . 1 74 74 TRP CB C 13 29.288 0.3 . 1 . . . . . 74 TRP CB . 28118 1 755 . 1 . 1 74 74 TRP N N 15 118.049 0.3 . 1 . . . . . 74 TRP N . 28118 1 756 . 1 . 1 75 75 VAL H H 1 7.044 0.020 . 1 . . . . . 75 VAL H . 28118 1 757 . 1 . 1 75 75 VAL HA H 1 3.095 0.020 . 1 . . . . . 75 VAL HA . 28118 1 758 . 1 . 1 75 75 VAL HB H 1 1.860 0.020 . 1 . . . . . 75 VAL HB . 28118 1 759 . 1 . 1 75 75 VAL HG11 H 1 1.063 0.020 . 1 . . . . . 75 VAL HG1 . 28118 1 760 . 1 . 1 75 75 VAL HG12 H 1 1.063 0.020 . 1 . . . . . 75 VAL HG1 . 28118 1 761 . 1 . 1 75 75 VAL HG13 H 1 1.063 0.020 . 1 . . . . . 75 VAL HG1 . 28118 1 762 . 1 . 1 75 75 VAL HG21 H 1 0.574 0.020 . 1 . . . . . 75 VAL HG2 . 28118 1 763 . 1 . 1 75 75 VAL HG22 H 1 0.574 0.020 . 1 . . . . . 75 VAL HG2 . 28118 1 764 . 1 . 1 75 75 VAL HG23 H 1 0.574 0.020 . 1 . . . . . 75 VAL HG2 . 28118 1 765 . 1 . 1 75 75 VAL C C 13 176.958 0.3 . 1 . . . . . 75 VAL C . 28118 1 766 . 1 . 1 75 75 VAL CA C 13 67.196 0.3 . 1 . . . . . 75 VAL CA . 28118 1 767 . 1 . 1 75 75 VAL CB C 13 31.714 0.3 . 1 . . . . . 75 VAL CB . 28118 1 768 . 1 . 1 75 75 VAL CG1 C 13 23.269 0.3 . 1 . . . . . 75 VAL CG1 . 28118 1 769 . 1 . 1 75 75 VAL CG2 C 13 21.833 0.3 . 1 . . . . . 75 VAL CG2 . 28118 1 770 . 1 . 1 75 75 VAL N N 15 115.712 0.3 . 1 . . . . . 75 VAL N . 28118 1 771 . 1 . 1 76 76 THR H H 1 6.823 0.020 . 1 . . . . . 76 THR H . 28118 1 772 . 1 . 1 76 76 THR HA H 1 3.740 0.020 . 1 . . . . . 76 THR HA . 28118 1 773 . 1 . 1 76 76 THR HB H 1 3.708 0.020 . 1 . . . . . 76 THR HB . 28118 1 774 . 1 . 1 76 76 THR HG21 H 1 0.997 0.020 . 1 . . . . . 76 THR HG2 . 28118 1 775 . 1 . 1 76 76 THR HG22 H 1 0.997 0.020 . 1 . . . . . 76 THR HG2 . 28118 1 776 . 1 . 1 76 76 THR HG23 H 1 0.997 0.020 . 1 . . . . . 76 THR HG2 . 28118 1 777 . 1 . 1 76 76 THR C C 13 175.433 0.3 . 1 . . . . . 76 THR C . 28118 1 778 . 1 . 1 76 76 THR CA C 13 65.523 0.3 . 1 . . . . . 76 THR CA . 28118 1 779 . 1 . 1 76 76 THR CB C 13 68.605 0.3 . 1 . . . . . 76 THR CB . 28118 1 780 . 1 . 1 76 76 THR CG2 C 13 21.711 0.3 . 1 . . . . . 76 THR CG2 . 28118 1 781 . 1 . 1 76 76 THR N N 15 114.204 0.3 . 1 . . . . . 76 THR N . 28118 1 782 . 1 . 1 77 77 TYR H H 1 8.717 0.020 . 1 . . . . . 77 TYR H . 28118 1 783 . 1 . 1 77 77 TYR HA H 1 3.769 0.020 . 1 . . . . . 77 TYR HA . 28118 1 784 . 1 . 1 77 77 TYR HB2 H 1 2.456 0.020 . 2 . . . . . 77 TYR HB2 . 28118 1 785 . 1 . 1 77 77 TYR HB3 H 1 2.332 0.020 . 2 . . . . . 77 TYR HB3 . 28118 1 786 . 1 . 1 77 77 TYR C C 13 177.389 0.3 . 1 . . . . . 77 TYR C . 28118 1 787 . 1 . 1 77 77 TYR CA C 13 61.770 0.3 . 1 . . . . . 77 TYR CA . 28118 1 788 . 1 . 1 77 77 TYR CB C 13 39.348 0.3 . 1 . . . . . 77 TYR CB . 28118 1 789 . 1 . 1 77 77 TYR N N 15 123.559 0.3 . 1 . . . . . 77 TYR N . 28118 1 790 . 1 . 1 78 78 THR H H 1 7.761 0.020 . 1 . . . . . 78 THR H . 28118 1 791 . 1 . 1 78 78 THR HA H 1 3.334 0.020 . 1 . . . . . 78 THR HA . 28118 1 792 . 1 . 1 78 78 THR HB H 1 3.906 0.020 . 1 . . . . . 78 THR HB . 28118 1 793 . 1 . 1 78 78 THR HG21 H 1 -0.171 0.020 . 1 . . . . . 78 THR HG2 . 28118 1 794 . 1 . 1 78 78 THR HG22 H 1 -0.171 0.020 . 1 . . . . . 78 THR HG2 . 28118 1 795 . 1 . 1 78 78 THR HG23 H 1 -0.171 0.020 . 1 . . . . . 78 THR HG2 . 28118 1 796 . 1 . 1 78 78 THR CA C 13 65.800 0.3 . 1 . . . . . 78 THR CA . 28118 1 797 . 1 . 1 78 78 THR CB C 13 68.336 0.3 . 1 . . . . . 78 THR CB . 28118 1 798 . 1 . 1 78 78 THR CG2 C 13 21.743 0.3 . 1 . . . . . 78 THR CG2 . 28118 1 799 . 1 . 1 78 78 THR N N 15 106.118 0.3 . 1 . . . . . 78 THR N . 28118 1 800 . 1 . 1 79 79 SER H H 1 6.765 0.020 . 1 . . . . . 79 SER H . 28118 1 801 . 1 . 1 79 79 SER HA H 1 3.764 0.020 . 1 . . . . . 79 SER HA . 28118 1 802 . 1 . 1 79 79 SER HB2 H 1 3.849 0.020 . 1 . . . . . 79 SER HB2 . 28118 1 803 . 1 . 1 79 79 SER HB3 H 1 3.849 0.020 . 1 . . . . . 79 SER HB3 . 28118 1 804 . 1 . 1 79 79 SER CA C 13 61.446 0.3 . 1 . . . . . 79 SER CA . 28118 1 805 . 1 . 1 79 79 SER CB C 13 62.926 0.3 . 1 . . . . . 79 SER CB . 28118 1 806 . 1 . 1 79 79 SER N N 15 115.093 0.3 . 1 . . . . . 79 SER N . 28118 1 807 . 1 . 1 80 80 GLU H H 1 7.784 0.020 . 1 . . . . . 80 GLU H . 28118 1 808 . 1 . 1 80 80 GLU HA H 1 4.046 0.020 . 1 . . . . . 80 GLU HA . 28118 1 809 . 1 . 1 80 80 GLU HB2 H 1 1.849 0.020 . 1 . . . . . 80 GLU HB2 . 28118 1 810 . 1 . 1 80 80 GLU HB3 H 1 1.849 0.020 . 1 . . . . . 80 GLU HB3 . 28118 1 811 . 1 . 1 80 80 GLU HG2 H 1 2.252 0.020 . 1 . . . . . 80 GLU HG2 . 28118 1 812 . 1 . 1 80 80 GLU HG3 H 1 2.252 0.020 . 1 . . . . . 80 GLU HG3 . 28118 1 813 . 1 . 1 80 80 GLU C C 13 178.310 0.3 . 1 . . . . . 80 GLU C . 28118 1 814 . 1 . 1 80 80 GLU CA C 13 57.886 0.3 . 1 . . . . . 80 GLU CA . 28118 1 815 . 1 . 1 80 80 GLU CB C 13 29.956 0.3 . 1 . . . . . 80 GLU CB . 28118 1 816 . 1 . 1 80 80 GLU CG C 13 36.263 0.3 . 1 . . . . . 80 GLU CG . 28118 1 817 . 1 . 1 80 80 GLU N N 15 120.660 0.3 . 1 . . . . . 80 GLU N . 28118 1 818 . 1 . 1 81 81 GLU H H 1 7.651 0.020 . 1 . . . . . 81 GLU H . 28118 1 819 . 1 . 1 81 81 GLU HA H 1 4.085 0.020 . 1 . . . . . 81 GLU HA . 28118 1 820 . 1 . 1 81 81 GLU HB2 H 1 1.142 0.020 . 1 . . . . . 81 GLU HB2 . 28118 1 821 . 1 . 1 81 81 GLU HB3 H 1 1.142 0.020 . 1 . . . . . 81 GLU HB3 . 28118 1 822 . 1 . 1 81 81 GLU HG2 H 1 1.223 0.020 . 1 . . . . . 81 GLU HG2 . 28118 1 823 . 1 . 1 81 81 GLU HG3 H 1 1.223 0.020 . 1 . . . . . 81 GLU HG3 . 28118 1 824 . 1 . 1 81 81 GLU C C 13 176.063 0.3 . 1 . . . . . 81 GLU C . 28118 1 825 . 1 . 1 81 81 GLU CA C 13 55.614 0.3 . 1 . . . . . 81 GLU CA . 28118 1 826 . 1 . 1 81 81 GLU CB C 13 28.388 0.3 . 1 . . . . . 81 GLU CB . 28118 1 827 . 1 . 1 81 81 GLU CG C 13 34.942 0.3 . 1 . . . . . 81 GLU CG . 28118 1 828 . 1 . 1 81 81 GLU N N 15 117.142 0.3 . 1 . . . . . 81 GLU N . 28118 1 829 . 1 . 1 82 82 GLY H H 1 7.286 0.020 . 1 . . . . . 82 GLY H . 28118 1 830 . 1 . 1 82 82 GLY HA2 H 1 4.039 0.020 . 2 . . . . . 82 GLY HA2 . 28118 1 831 . 1 . 1 82 82 GLY HA3 H 1 3.523 0.020 . 2 . . . . . 82 GLY HA3 . 28118 1 832 . 1 . 1 82 82 GLY C C 13 175.956 0.3 . 1 . . . . . 82 GLY C . 28118 1 833 . 1 . 1 82 82 GLY CA C 13 45.245 0.3 . 1 . . . . . 82 GLY CA . 28118 1 834 . 1 . 1 82 82 GLY N N 15 103.670 0.3 . 1 . . . . . 82 GLY N . 28118 1 835 . 1 . 1 83 83 TYR H H 1 7.808 0.020 . 1 . . . . . 83 TYR H . 28118 1 836 . 1 . 1 83 83 TYR HA H 1 4.830 0.020 . 1 . . . . . 83 TYR HA . 28118 1 837 . 1 . 1 83 83 TYR HB2 H 1 3.283 0.020 . 1 . . . . . 83 TYR HB2 . 28118 1 838 . 1 . 1 83 83 TYR HB3 H 1 3.283 0.020 . 1 . . . . . 83 TYR HB3 . 28118 1 839 . 1 . 1 83 83 TYR C C 13 175.751 0.3 . 1 . . . . . 83 TYR C . 28118 1 840 . 1 . 1 83 83 TYR CA C 13 58.198 0.3 . 1 . . . . . 83 TYR CA . 28118 1 841 . 1 . 1 83 83 TYR CB C 13 36.746 0.3 . 1 . . . . . 83 TYR CB . 28118 1 842 . 1 . 1 83 83 TYR N N 15 117.328 0.3 . 1 . . . . . 83 TYR N . 28118 1 843 . 1 . 1 84 84 GLY H H 1 8.723 0.020 . 1 . . . . . 84 GLY H . 28118 1 844 . 1 . 1 84 84 GLY HA2 H 1 4.040 0.020 . 2 . . . . . 84 GLY HA2 . 28118 1 845 . 1 . 1 84 84 GLY HA3 H 1 3.574 0.020 . 2 . . . . . 84 GLY HA3 . 28118 1 846 . 1 . 1 84 84 GLY C C 13 176.552 0.3 . 1 . . . . . 84 GLY C . 28118 1 847 . 1 . 1 84 84 GLY CA C 13 48.081 0.3 . 1 . . . . . 84 GLY CA . 28118 1 848 . 1 . 1 84 84 GLY N N 15 110.190 0.3 . 1 . . . . . 84 GLY N . 28118 1 849 . 1 . 1 85 85 GLU H H 1 8.634 0.020 . 1 . . . . . 85 GLU H . 28118 1 850 . 1 . 1 85 85 GLU HA H 1 4.120 0.020 . 1 . . . . . 85 GLU HA . 28118 1 851 . 1 . 1 85 85 GLU C C 13 179.227 0.3 . 1 . . . . . 85 GLU C . 28118 1 852 . 1 . 1 85 85 GLU CA C 13 59.655 0.3 . 1 . . . . . 85 GLU CA . 28118 1 853 . 1 . 1 85 85 GLU CB C 13 28.963 0.3 . 1 . . . . . 85 GLU CB . 28118 1 854 . 1 . 1 85 85 GLU CG C 13 36.823 0.3 . 1 . . . . . 85 GLU CG . 28118 1 855 . 1 . 1 85 85 GLU N N 15 121.678 0.3 . 1 . . . . . 85 GLU N . 28118 1 856 . 1 . 1 86 86 LEU H H 1 7.425 0.020 . 1 . . . . . 86 LEU H . 28118 1 857 . 1 . 1 86 86 LEU HA H 1 3.930 0.020 . 1 . . . . . 86 LEU HA . 28118 1 858 . 1 . 1 86 86 LEU HB2 H 1 1.644 0.020 . 1 . . . . . 86 LEU HB2 . 28118 1 859 . 1 . 1 86 86 LEU HB3 H 1 1.644 0.020 . 1 . . . . . 86 LEU HB3 . 28118 1 860 . 1 . 1 86 86 LEU HG H 1 1.149 0.020 . 1 . . . . . 86 LEU HG . 28118 1 861 . 1 . 1 86 86 LEU HD11 H 1 0.409 0.020 . 1 . . . . . 86 LEU HD1 . 28118 1 862 . 1 . 1 86 86 LEU HD12 H 1 0.409 0.020 . 1 . . . . . 86 LEU HD1 . 28118 1 863 . 1 . 1 86 86 LEU HD13 H 1 0.409 0.020 . 1 . . . . . 86 LEU HD1 . 28118 1 864 . 1 . 1 86 86 LEU HD21 H 1 0.662 0.020 . 1 . . . . . 86 LEU HD2 . 28118 1 865 . 1 . 1 86 86 LEU HD22 H 1 0.662 0.020 . 1 . . . . . 86 LEU HD2 . 28118 1 866 . 1 . 1 86 86 LEU HD23 H 1 0.662 0.020 . 1 . . . . . 86 LEU HD2 . 28118 1 867 . 1 . 1 86 86 LEU C C 13 180.160 0.3 . 1 . . . . . 86 LEU C . 28118 1 868 . 1 . 1 86 86 LEU CA C 13 57.672 0.3 . 1 . . . . . 86 LEU CA . 28118 1 869 . 1 . 1 86 86 LEU CB C 13 41.314 0.3 . 1 . . . . . 86 LEU CB . 28118 1 870 . 1 . 1 86 86 LEU CG C 13 26.472 0.3 . 1 . . . . . 86 LEU CG . 28118 1 871 . 1 . 1 86 86 LEU CD1 C 13 25.295 0.3 . 1 . . . . . 86 LEU CD1 . 28118 1 872 . 1 . 1 86 86 LEU CD2 C 13 23.269 0.3 . 1 . . . . . 86 LEU CD2 . 28118 1 873 . 1 . 1 86 86 LEU N N 15 122.090 0.3 . 1 . . . . . 86 LEU N . 28118 1 874 . 1 . 1 87 87 LEU H H 1 8.036 0.020 . 1 . . . . . 87 LEU H . 28118 1 875 . 1 . 1 87 87 LEU HA H 1 3.831 0.020 . 1 . . . . . 87 LEU HA . 28118 1 876 . 1 . 1 87 87 LEU HB2 H 1 1.728 0.020 . 1 . . . . . 87 LEU HB2 . 28118 1 877 . 1 . 1 87 87 LEU HB3 H 1 1.728 0.020 . 1 . . . . . 87 LEU HB3 . 28118 1 878 . 1 . 1 87 87 LEU HG H 1 1.687 0.020 . 1 . . . . . 87 LEU HG . 28118 1 879 . 1 . 1 87 87 LEU HD11 H 1 0.770 0.020 . 1 . . . . . 87 LEU HD1 . 28118 1 880 . 1 . 1 87 87 LEU HD12 H 1 0.770 0.020 . 1 . . . . . 87 LEU HD1 . 28118 1 881 . 1 . 1 87 87 LEU HD13 H 1 0.770 0.020 . 1 . . . . . 87 LEU HD1 . 28118 1 882 . 1 . 1 87 87 LEU HD21 H 1 0.798 0.020 . 1 . . . . . 87 LEU HD2 . 28118 1 883 . 1 . 1 87 87 LEU HD22 H 1 0.798 0.020 . 1 . . . . . 87 LEU HD2 . 28118 1 884 . 1 . 1 87 87 LEU HD23 H 1 0.798 0.020 . 1 . . . . . 87 LEU HD2 . 28118 1 885 . 1 . 1 87 87 LEU C C 13 180.269 0.3 . 1 . . . . . 87 LEU C . 28118 1 886 . 1 . 1 87 87 LEU CA C 13 58.210 0.3 . 1 . . . . . 87 LEU CA . 28118 1 887 . 1 . 1 87 87 LEU CB C 13 41.604 0.3 . 1 . . . . . 87 LEU CB . 28118 1 888 . 1 . 1 87 87 LEU CG C 13 26.797 0.3 . 1 . . . . . 87 LEU CG . 28118 1 889 . 1 . 1 87 87 LEU CD1 C 13 25.306 0.3 . 1 . . . . . 87 LEU CD1 . 28118 1 890 . 1 . 1 87 87 LEU CD2 C 13 23.342 0.3 . 1 . . . . . 87 LEU CD2 . 28118 1 891 . 1 . 1 87 87 LEU N N 15 118.173 0.3 . 1 . . . . . 87 LEU N . 28118 1 892 . 1 . 1 88 88 ALA H H 1 8.171 0.020 . 1 . . . . . 88 ALA H . 28118 1 893 . 1 . 1 88 88 ALA HA H 1 4.232 0.020 . 1 . . . . . 88 ALA HA . 28118 1 894 . 1 . 1 88 88 ALA HB1 H 1 1.329 0.020 . 1 . . . . . 88 ALA HB . 28118 1 895 . 1 . 1 88 88 ALA HB2 H 1 1.329 0.020 . 1 . . . . . 88 ALA HB . 28118 1 896 . 1 . 1 88 88 ALA HB3 H 1 1.329 0.020 . 1 . . . . . 88 ALA HB . 28118 1 897 . 1 . 1 88 88 ALA C C 13 179.860 0.3 . 1 . . . . . 88 ALA C . 28118 1 898 . 1 . 1 88 88 ALA CA C 13 54.224 0.3 . 1 . . . . . 88 ALA CA . 28118 1 899 . 1 . 1 88 88 ALA CB C 13 17.939 0.3 . 1 . . . . . 88 ALA CB . 28118 1 900 . 1 . 1 88 88 ALA N N 15 120.983 0.3 . 1 . . . . . 88 ALA N . 28118 1 901 . 1 . 1 89 89 SER H H 1 7.636 0.020 . 1 . . . . . 89 SER H . 28118 1 902 . 1 . 1 89 89 SER HA H 1 4.341 0.020 . 1 . . . . . 89 SER HA . 28118 1 903 . 1 . 1 89 89 SER HB2 H 1 3.998 0.020 . 2 . . . . . 89 SER HB2 . 28118 1 904 . 1 . 1 89 89 SER HB3 H 1 3.887 0.020 . 2 . . . . . 89 SER HB3 . 28118 1 905 . 1 . 1 89 89 SER CA C 13 60.464 0.3 . 1 . . . . . 89 SER CA . 28118 1 906 . 1 . 1 89 89 SER CB C 13 63.191 0.3 . 1 . . . . . 89 SER CB . 28118 1 907 . 1 . 1 89 89 SER N N 15 113.413 0.3 . 1 . . . . . 89 SER N . 28118 1 908 . 1 . 1 90 90 ALA H H 1 7.160 0.020 . 1 . . . . . 90 ALA H . 28118 1 909 . 1 . 1 90 90 ALA HA H 1 4.135 0.020 . 1 . . . . . 90 ALA HA . 28118 1 910 . 1 . 1 90 90 ALA HB1 H 1 0.905 0.020 . 1 . . . . . 90 ALA HB . 28118 1 911 . 1 . 1 90 90 ALA HB2 H 1 0.905 0.020 . 1 . . . . . 90 ALA HB . 28118 1 912 . 1 . 1 90 90 ALA HB3 H 1 0.905 0.020 . 1 . . . . . 90 ALA HB . 28118 1 913 . 1 . 1 90 90 ALA C C 13 176.267 0.3 . 1 . . . . . 90 ALA C . 28118 1 914 . 1 . 1 90 90 ALA CA C 13 52.278 0.3 . 1 . . . . . 90 ALA CA . 28118 1 915 . 1 . 1 90 90 ALA CB C 13 19.341 0.3 . 1 . . . . . 90 ALA CB . 28118 1 916 . 1 . 1 90 90 ALA N N 15 123.384 0.3 . 1 . . . . . 90 ALA N . 28118 1 917 . 1 . 1 91 91 GLY H H 1 7.071 0.020 . 1 . . . . . 91 GLY H . 28118 1 918 . 1 . 1 91 91 GLY HA2 H 1 3.613 0.020 . 2 . . . . . 91 GLY HA2 . 28118 1 919 . 1 . 1 91 91 GLY HA3 H 1 4.286 0.020 . 2 . . . . . 91 GLY HA3 . 28118 1 920 . 1 . 1 91 91 GLY C C 13 173.035 0.3 . 1 . . . . . 91 GLY C . 28118 1 921 . 1 . 1 91 91 GLY CA C 13 44.690 0.3 . 1 . . . . . 91 GLY CA . 28118 1 922 . 1 . 1 91 91 GLY N N 15 101.764 0.3 . 1 . . . . . 91 GLY N . 28118 1 923 . 1 . 1 92 92 ASP H H 1 8.265 0.020 . 1 . . . . . 92 ASP H . 28118 1 924 . 1 . 1 92 92 ASP HA H 1 4.944 0.020 . 1 . . . . . 92 ASP HA . 28118 1 925 . 1 . 1 92 92 ASP HB2 H 1 2.502 0.020 . 2 . . . . . 92 ASP HB2 . 28118 1 926 . 1 . 1 92 92 ASP HB3 H 1 2.770 0.020 . 2 . . . . . 92 ASP HB3 . 28118 1 927 . 1 . 1 92 92 ASP C C 13 174.535 0.3 . 1 . . . . . 92 ASP C . 28118 1 928 . 1 . 1 92 92 ASP CA C 13 53.982 0.3 . 1 . . . . . 92 ASP CA . 28118 1 929 . 1 . 1 92 92 ASP CB C 13 42.144 0.3 . 1 . . . . . 92 ASP CB . 28118 1 930 . 1 . 1 92 92 ASP N N 15 116.782 0.3 . 1 . . . . . 92 ASP N . 28118 1 931 . 1 . 1 93 93 SER H H 1 7.048 0.020 . 1 . . . . . 93 SER H . 28118 1 932 . 1 . 1 93 93 SER HA H 1 3.715 0.020 . 1 . . . . . 93 SER HA . 28118 1 933 . 1 . 1 93 93 SER HB2 H 1 3.659 0.020 . 1 . . . . . 93 SER HB2 . 28118 1 934 . 1 . 1 93 93 SER HB3 H 1 3.659 0.020 . 1 . . . . . 93 SER HB3 . 28118 1 935 . 1 . 1 93 93 SER C C 13 171.887 0.3 . 1 . . . . . 93 SER C . 28118 1 936 . 1 . 1 93 93 SER CA C 13 55.932 0.3 . 1 . . . . . 93 SER CA . 28118 1 937 . 1 . 1 93 93 SER CB C 13 65.776 0.3 . 1 . . . . . 93 SER CB . 28118 1 938 . 1 . 1 93 93 SER N N 15 111.876 0.3 . 1 . . . . . 93 SER N . 28118 1 939 . 1 . 1 94 94 LEU H H 1 8.820 0.020 . 1 . . . . . 94 LEU H . 28118 1 940 . 1 . 1 94 94 LEU HA H 1 3.649 0.020 . 1 . . . . . 94 LEU HA . 28118 1 941 . 1 . 1 94 94 LEU HB2 H 1 1.373 0.020 . 1 . . . . . 94 LEU HB2 . 28118 1 942 . 1 . 1 94 94 LEU HB3 H 1 1.373 0.020 . 1 . . . . . 94 LEU HB3 . 28118 1 943 . 1 . 1 94 94 LEU HG H 1 1.164 0.020 . 1 . . . . . 94 LEU HG . 28118 1 944 . 1 . 1 94 94 LEU HD11 H 1 0.695 0.020 . 1 . . . . . 94 LEU HD1 . 28118 1 945 . 1 . 1 94 94 LEU HD12 H 1 0.695 0.020 . 1 . . . . . 94 LEU HD1 . 28118 1 946 . 1 . 1 94 94 LEU HD13 H 1 0.695 0.020 . 1 . . . . . 94 LEU HD1 . 28118 1 947 . 1 . 1 94 94 LEU HD21 H 1 0.405 0.020 . 1 . . . . . 94 LEU HD2 . 28118 1 948 . 1 . 1 94 94 LEU HD22 H 1 0.405 0.020 . 1 . . . . . 94 LEU HD2 . 28118 1 949 . 1 . 1 94 94 LEU HD23 H 1 0.405 0.020 . 1 . . . . . 94 LEU HD2 . 28118 1 950 . 1 . 1 94 94 LEU C C 13 174.205 0.3 . 1 . . . . . 94 LEU C . 28118 1 951 . 1 . 1 94 94 LEU CA C 13 59.903 0.3 . 1 . . . . . 94 LEU CA . 28118 1 952 . 1 . 1 94 94 LEU CB C 13 39.350 0.3 . 1 . . . . . 94 LEU CB . 28118 1 953 . 1 . 1 94 94 LEU CG C 13 27.679 0.3 . 1 . . . . . 94 LEU CG . 28118 1 954 . 1 . 1 94 94 LEU CD1 C 13 25.916 0.3 . 1 . . . . . 94 LEU CD1 . 28118 1 955 . 1 . 1 94 94 LEU CD2 C 13 25.161 0.3 . 1 . . . . . 94 LEU CD2 . 28118 1 956 . 1 . 1 94 94 LEU N N 15 120.754 0.3 . 1 . . . . . 94 LEU N . 28118 1 957 . 1 . 1 95 95 PRO C C 13 177.790 0.3 . 1 . . . . . 95 PRO C . 28118 1 958 . 1 . 1 95 95 PRO CA C 13 66.101 0.3 . 1 . . . . . 95 PRO CA . 28118 1 959 . 1 . 1 95 95 PRO CB C 13 30.309 0.3 . 1 . . . . . 95 PRO CB . 28118 1 960 . 1 . 1 96 96 GLU H H 1 6.495 0.020 . 1 . . . . . 96 GLU H . 28118 1 961 . 1 . 1 96 96 GLU HA H 1 3.850 0.020 . 1 . . . . . 96 GLU HA . 28118 1 962 . 1 . 1 96 96 GLU HB2 H 1 1.839 0.020 . 1 . . . . . 96 GLU HB2 . 28118 1 963 . 1 . 1 96 96 GLU HB3 H 1 1.839 0.020 . 1 . . . . . 96 GLU HB3 . 28118 1 964 . 1 . 1 96 96 GLU HG2 H 1 2.248 0.020 . 1 . . . . . 96 GLU HG2 . 28118 1 965 . 1 . 1 96 96 GLU HG3 H 1 2.248 0.020 . 1 . . . . . 96 GLU HG3 . 28118 1 966 . 1 . 1 96 96 GLU C C 13 177.334 0.3 . 1 . . . . . 96 GLU C . 28118 1 967 . 1 . 1 96 96 GLU CA C 13 59.044 0.3 . 1 . . . . . 96 GLU CA . 28118 1 968 . 1 . 1 96 96 GLU CB C 13 30.606 0.3 . 1 . . . . . 96 GLU CB . 28118 1 969 . 1 . 1 96 96 GLU CG C 13 36.544 0.3 . 1 . . . . . 96 GLU CG . 28118 1 970 . 1 . 1 96 96 GLU N N 15 116.190 0.3 . 1 . . . . . 96 GLU N . 28118 1 971 . 1 . 1 97 97 PHE H H 1 8.147 0.020 . 1 . . . . . 97 PHE H . 28118 1 972 . 1 . 1 97 97 PHE HA H 1 3.870 0.020 . 1 . . . . . 97 PHE HA . 28118 1 973 . 1 . 1 97 97 PHE HB2 H 1 3.064 0.020 . 2 . . . . . 97 PHE HB2 . 28118 1 974 . 1 . 1 97 97 PHE HB3 H 1 2.702 0.020 . 2 . . . . . 97 PHE HB3 . 28118 1 975 . 1 . 1 97 97 PHE C C 13 177.887 0.3 . 1 . . . . . 97 PHE C . 28118 1 976 . 1 . 1 97 97 PHE CA C 13 61.065 0.3 . 1 . . . . . 97 PHE CA . 28118 1 977 . 1 . 1 97 97 PHE CB C 13 40.193 0.3 . 1 . . . . . 97 PHE CB . 28118 1 978 . 1 . 1 97 97 PHE N N 15 118.364 0.3 . 1 . . . . . 97 PHE N . 28118 1 979 . 1 . 1 98 98 MET H H 1 7.831 0.020 . 1 . . . . . 98 MET H . 28118 1 980 . 1 . 1 98 98 MET HA H 1 4.126 0.020 . 1 . . . . . 98 MET HA . 28118 1 981 . 1 . 1 98 98 MET HB2 H 1 1.983 0.020 . 1 . . . . . 98 MET HB2 . 28118 1 982 . 1 . 1 98 98 MET HB3 H 1 1.983 0.020 . 1 . . . . . 98 MET HB3 . 28118 1 983 . 1 . 1 98 98 MET HG2 H 1 2.031 0.020 . 1 . . . . . 98 MET HG2 . 28118 1 984 . 1 . 1 98 98 MET HG3 H 1 2.031 0.020 . 1 . . . . . 98 MET HG3 . 28118 1 985 . 1 . 1 98 98 MET C C 13 179.081 0.3 . 1 . . . . . 98 MET C . 28118 1 986 . 1 . 1 98 98 MET CA C 13 56.232 0.3 . 1 . . . . . 98 MET CA . 28118 1 987 . 1 . 1 98 98 MET CB C 13 29.777 0.3 . 1 . . . . . 98 MET CB . 28118 1 988 . 1 . 1 98 98 MET CG C 13 28.328 0.3 . 1 . . . . . 98 MET CG . 28118 1 989 . 1 . 1 98 98 MET N N 15 112.163 0.3 . 1 . . . . . 98 MET N . 28118 1 990 . 1 . 1 99 99 GLU H H 1 7.856 0.020 . 1 . . . . . 99 GLU H . 28118 1 991 . 1 . 1 99 99 GLU HA H 1 4.114 0.020 . 1 . . . . . 99 GLU HA . 28118 1 992 . 1 . 1 99 99 GLU HB2 H 1 2.185 0.020 . 1 . . . . . 99 GLU HB2 . 28118 1 993 . 1 . 1 99 99 GLU HB3 H 1 2.185 0.020 . 1 . . . . . 99 GLU HB3 . 28118 1 994 . 1 . 1 99 99 GLU HG2 H 1 2.317 0.020 . 1 . . . . . 99 GLU HG2 . 28118 1 995 . 1 . 1 99 99 GLU HG3 H 1 2.317 0.020 . 1 . . . . . 99 GLU HG3 . 28118 1 996 . 1 . 1 99 99 GLU C C 13 177.746 0.3 . 1 . . . . . 99 GLU C . 28118 1 997 . 1 . 1 99 99 GLU CA C 13 58.379 0.3 . 1 . . . . . 99 GLU CA . 28118 1 998 . 1 . 1 99 99 GLU CB C 13 29.503 0.3 . 1 . . . . . 99 GLU CB . 28118 1 999 . 1 . 1 99 99 GLU CG C 13 36.500 0.3 . 1 . . . . . 99 GLU CG . 28118 1 1000 . 1 . 1 99 99 GLU N N 15 118.207 0.3 . 1 . . . . . 99 GLU N . 28118 1 1001 . 1 . 1 100 100 ASN H H 1 7.506 0.020 . 1 . . . . . 100 ASN H . 28118 1 1002 . 1 . 1 100 100 ASN HA H 1 4.920 0.020 . 1 . . . . . 100 ASN HA . 28118 1 1003 . 1 . 1 100 100 ASN HB2 H 1 2.933 0.020 . 2 . . . . . 100 ASN HB2 . 28118 1 1004 . 1 . 1 100 100 ASN HB3 H 1 2.805 0.020 . 2 . . . . . 100 ASN HB3 . 28118 1 1005 . 1 . 1 100 100 ASN C C 13 176.275 0.3 . 1 . . . . . 100 ASN C . 28118 1 1006 . 1 . 1 100 100 ASN CA C 13 53.155 0.3 . 1 . . . . . 100 ASN CA . 28118 1 1007 . 1 . 1 100 100 ASN CB C 13 39.876 0.3 . 1 . . . . . 100 ASN CB . 28118 1 1008 . 1 . 1 100 100 ASN N N 15 115.573 0.3 . 1 . . . . . 100 ASN N . 28118 1 1009 . 1 . 1 101 101 LEU H H 1 7.206 0.020 . 1 . . . . . 101 LEU H . 28118 1 1010 . 1 . 1 101 101 LEU HA H 1 3.451 0.020 . 1 . . . . . 101 LEU HA . 28118 1 1011 . 1 . 1 101 101 LEU HB2 H 1 1.541 0.020 . 1 . . . . . 101 LEU HB2 . 28118 1 1012 . 1 . 1 101 101 LEU HB3 H 1 1.541 0.020 . 1 . . . . . 101 LEU HB3 . 28118 1 1013 . 1 . 1 101 101 LEU HG H 1 1.394 0.020 . 1 . . . . . 101 LEU HG . 28118 1 1014 . 1 . 1 101 101 LEU HD11 H 1 0.190 0.020 . 1 . . . . . 101 LEU HD1 . 28118 1 1015 . 1 . 1 101 101 LEU HD12 H 1 0.190 0.020 . 1 . . . . . 101 LEU HD1 . 28118 1 1016 . 1 . 1 101 101 LEU HD13 H 1 0.190 0.020 . 1 . . . . . 101 LEU HD1 . 28118 1 1017 . 1 . 1 101 101 LEU HD21 H 1 0.114 0.020 . 1 . . . . . 101 LEU HD2 . 28118 1 1018 . 1 . 1 101 101 LEU HD22 H 1 0.114 0.020 . 1 . . . . . 101 LEU HD2 . 28118 1 1019 . 1 . 1 101 101 LEU HD23 H 1 0.114 0.020 . 1 . . . . . 101 LEU HD2 . 28118 1 1020 . 1 . 1 101 101 LEU C C 13 178.099 0.3 . 1 . . . . . 101 LEU C . 28118 1 1021 . 1 . 1 101 101 LEU CA C 13 58.488 0.3 . 1 . . . . . 101 LEU CA . 28118 1 1022 . 1 . 1 101 101 LEU CB C 13 41.600 0.3 . 1 . . . . . 101 LEU CB . 28118 1 1023 . 1 . 1 101 101 LEU CG C 13 25.805 0.3 . 1 . . . . . 101 LEU CG . 28118 1 1024 . 1 . 1 101 101 LEU CD1 C 13 24.653 0.3 . 1 . . . . . 101 LEU CD1 . 28118 1 1025 . 1 . 1 101 101 LEU CD2 C 13 23.409 0.3 . 1 . . . . . 101 LEU CD2 . 28118 1 1026 . 1 . 1 101 101 LEU N N 15 125.820 0.3 . 1 . . . . . 101 LEU N . 28118 1 1027 . 1 . 1 102 102 ASP H H 1 9.100 0.020 . 1 . . . . . 102 ASP H . 28118 1 1028 . 1 . 1 102 102 ASP HA H 1 4.665 0.020 . 1 . . . . . 102 ASP HA . 28118 1 1029 . 1 . 1 102 102 ASP HB2 H 1 2.979 0.020 . 2 . . . . . 102 ASP HB2 . 28118 1 1030 . 1 . 1 102 102 ASP HB3 H 1 2.922 0.020 . 2 . . . . . 102 ASP HB3 . 28118 1 1031 . 1 . 1 102 102 ASP C C 13 180.133 0.3 . 1 . . . . . 102 ASP C . 28118 1 1032 . 1 . 1 102 102 ASP CA C 13 58.183 0.3 . 1 . . . . . 102 ASP CA . 28118 1 1033 . 1 . 1 102 102 ASP CB C 13 38.776 0.3 . 1 . . . . . 102 ASP CB . 28118 1 1034 . 1 . 1 102 102 ASP N N 15 120.738 0.3 . 1 . . . . . 102 ASP N . 28118 1 1035 . 1 . 1 103 103 ASN H H 1 8.224 0.020 . 1 . . . . . 103 ASN H . 28118 1 1036 . 1 . 1 103 103 ASN HA H 1 4.392 0.020 . 1 . . . . . 103 ASN HA . 28118 1 1037 . 1 . 1 103 103 ASN HB2 H 1 2.807 0.020 . 1 . . . . . 103 ASN HB2 . 28118 1 1038 . 1 . 1 103 103 ASN HB3 H 1 2.807 0.020 . 1 . . . . . 103 ASN HB3 . 28118 1 1039 . 1 . 1 103 103 ASN C C 13 177.394 0.3 . 1 . . . . . 103 ASN C . 28118 1 1040 . 1 . 1 103 103 ASN CA C 13 55.940 0.3 . 1 . . . . . 103 ASN CA . 28118 1 1041 . 1 . 1 103 103 ASN CB C 13 38.351 0.3 . 1 . . . . . 103 ASN CB . 28118 1 1042 . 1 . 1 103 103 ASN N N 15 120.564 0.3 . 1 . . . . . 103 ASN N . 28118 1 1043 . 1 . 1 104 104 LEU H H 1 8.070 0.020 . 1 . . . . . 104 LEU H . 28118 1 1044 . 1 . 1 104 104 LEU HA H 1 3.746 0.020 . 1 . . . . . 104 LEU HA . 28118 1 1045 . 1 . 1 104 104 LEU HB2 H 1 1.133 0.020 . 1 . . . . . 104 LEU HB2 . 28118 1 1046 . 1 . 1 104 104 LEU HB3 H 1 1.133 0.020 . 1 . . . . . 104 LEU HB3 . 28118 1 1047 . 1 . 1 104 104 LEU HG H 1 0.924 0.020 . 1 . . . . . 104 LEU HG . 28118 1 1048 . 1 . 1 104 104 LEU HD11 H 1 0.261 0.020 . 1 . . . . . 104 LEU HD1 . 28118 1 1049 . 1 . 1 104 104 LEU HD12 H 1 0.261 0.020 . 1 . . . . . 104 LEU HD1 . 28118 1 1050 . 1 . 1 104 104 LEU HD13 H 1 0.261 0.020 . 1 . . . . . 104 LEU HD1 . 28118 1 1051 . 1 . 1 104 104 LEU HD21 H 1 -0.174 0.020 . 1 . . . . . 104 LEU HD2 . 28118 1 1052 . 1 . 1 104 104 LEU HD22 H 1 -0.174 0.020 . 1 . . . . . 104 LEU HD2 . 28118 1 1053 . 1 . 1 104 104 LEU HD23 H 1 -0.174 0.020 . 1 . . . . . 104 LEU HD2 . 28118 1 1054 . 1 . 1 104 104 LEU C C 13 178.949 0.3 . 1 . . . . . 104 LEU C . 28118 1 1055 . 1 . 1 104 104 LEU CA C 13 59.089 0.3 . 1 . . . . . 104 LEU CA . 28118 1 1056 . 1 . 1 104 104 LEU CB C 13 40.863 0.3 . 1 . . . . . 104 LEU CB . 28118 1 1057 . 1 . 1 104 104 LEU CG C 13 26.594 0.3 . 1 . . . . . 104 LEU CG . 28118 1 1058 . 1 . 1 104 104 LEU CD1 C 13 25.482 0.3 . 1 . . . . . 104 LEU CD1 . 28118 1 1059 . 1 . 1 104 104 LEU CD2 C 13 24.018 0.3 . 1 . . . . . 104 LEU CD2 . 28118 1 1060 . 1 . 1 104 104 LEU N N 15 124.611 0.3 . 1 . . . . . 104 LEU N . 28118 1 1061 . 1 . 1 105 105 HIS H H 1 8.401 0.020 . 1 . . . . . 105 HIS H . 28118 1 1062 . 1 . 1 105 105 HIS HA H 1 3.933 0.020 . 1 . . . . . 105 HIS HA . 28118 1 1063 . 1 . 1 105 105 HIS HB2 H 1 3.178 0.020 . 1 . . . . . 105 HIS HB2 . 28118 1 1064 . 1 . 1 105 105 HIS HB3 H 1 3.178 0.020 . 1 . . . . . 105 HIS HB3 . 28118 1 1065 . 1 . 1 105 105 HIS C C 13 177.819 0.3 . 1 . . . . . 105 HIS C . 28118 1 1066 . 1 . 1 105 105 HIS CA C 13 61.858 0.3 . 1 . . . . . 105 HIS CA . 28118 1 1067 . 1 . 1 105 105 HIS CB C 13 28.659 0.3 . 1 . . . . . 105 HIS CB . 28118 1 1068 . 1 . 1 105 105 HIS N N 15 117.255 0.3 . 1 . . . . . 105 HIS N . 28118 1 1069 . 1 . 1 106 106 ALA H H 1 8.169 0.020 . 1 . . . . . 106 ALA H . 28118 1 1070 . 1 . 1 106 106 ALA HA H 1 4.110 0.020 . 1 . . . . . 106 ALA HA . 28118 1 1071 . 1 . 1 106 106 ALA HB1 H 1 1.418 0.020 . 1 . . . . . 106 ALA HB . 28118 1 1072 . 1 . 1 106 106 ALA HB2 H 1 1.418 0.020 . 1 . . . . . 106 ALA HB . 28118 1 1073 . 1 . 1 106 106 ALA HB3 H 1 1.418 0.020 . 1 . . . . . 106 ALA HB . 28118 1 1074 . 1 . 1 106 106 ALA C C 13 180.467 0.3 . 1 . . . . . 106 ALA C . 28118 1 1075 . 1 . 1 106 106 ALA CA C 13 54.827 0.3 . 1 . . . . . 106 ALA CA . 28118 1 1076 . 1 . 1 106 106 ALA CB C 13 17.643 0.3 . 1 . . . . . 106 ALA CB . 28118 1 1077 . 1 . 1 106 106 ALA N N 15 123.328 0.3 . 1 . . . . . 106 ALA N . 28118 1 1078 . 1 . 1 107 107 ARG H H 1 7.681 0.020 . 1 . . . . . 107 ARG H . 28118 1 1079 . 1 . 1 107 107 ARG HA H 1 3.983 0.020 . 1 . . . . . 107 ARG HA . 28118 1 1080 . 1 . 1 107 107 ARG HB2 H 1 1.913 0.020 . 2 . . . . . 107 ARG HB2 . 28118 1 1081 . 1 . 1 107 107 ARG HB3 H 1 1.833 0.020 . 2 . . . . . 107 ARG HB3 . 28118 1 1082 . 1 . 1 107 107 ARG HG2 H 1 1.438 0.020 . 1 . . . . . 107 ARG HG2 . 28118 1 1083 . 1 . 1 107 107 ARG HG3 H 1 1.438 0.020 . 1 . . . . . 107 ARG HG3 . 28118 1 1084 . 1 . 1 107 107 ARG HD2 H 1 3.045 0.020 . 1 . . . . . 107 ARG HD2 . 28118 1 1085 . 1 . 1 107 107 ARG HD3 H 1 3.045 0.020 . 1 . . . . . 107 ARG HD3 . 28118 1 1086 . 1 . 1 107 107 ARG C C 13 180.364 0.3 . 1 . . . . . 107 ARG C . 28118 1 1087 . 1 . 1 107 107 ARG CA C 13 59.338 0.3 . 1 . . . . . 107 ARG CA . 28118 1 1088 . 1 . 1 107 107 ARG CB C 13 29.528 0.3 . 1 . . . . . 107 ARG CB . 28118 1 1089 . 1 . 1 107 107 ARG CG C 13 27.469 0.3 . 1 . . . . . 107 ARG CG . 28118 1 1090 . 1 . 1 107 107 ARG CD C 13 43.686 0.3 . 1 . . . . . 107 ARG CD . 28118 1 1091 . 1 . 1 107 107 ARG N N 15 118.689 0.3 . 1 . . . . . 107 ARG N . 28118 1 1092 . 1 . 1 108 108 VAL H H 1 8.320 0.020 . 1 . . . . . 108 VAL H . 28118 1 1093 . 1 . 1 108 108 VAL HA H 1 3.632 0.020 . 1 . . . . . 108 VAL HA . 28118 1 1094 . 1 . 1 108 108 VAL HB H 1 2.005 0.020 . 1 . . . . . 108 VAL HB . 28118 1 1095 . 1 . 1 108 108 VAL HG11 H 1 0.622 0.020 . 1 . . . . . 108 VAL HG1 . 28118 1 1096 . 1 . 1 108 108 VAL HG12 H 1 0.622 0.020 . 1 . . . . . 108 VAL HG1 . 28118 1 1097 . 1 . 1 108 108 VAL HG13 H 1 0.622 0.020 . 1 . . . . . 108 VAL HG1 . 28118 1 1098 . 1 . 1 108 108 VAL HG21 H 1 0.747 0.020 . 1 . . . . . 108 VAL HG2 . 28118 1 1099 . 1 . 1 108 108 VAL HG22 H 1 0.747 0.020 . 1 . . . . . 108 VAL HG2 . 28118 1 1100 . 1 . 1 108 108 VAL HG23 H 1 0.747 0.020 . 1 . . . . . 108 VAL HG2 . 28118 1 1101 . 1 . 1 108 108 VAL C C 13 178.807 0.3 . 1 . . . . . 108 VAL C . 28118 1 1102 . 1 . 1 108 108 VAL CA C 13 66.661 0.3 . 1 . . . . . 108 VAL CA . 28118 1 1103 . 1 . 1 108 108 VAL CB C 13 31.746 0.3 . 1 . . . . . 108 VAL CB . 28118 1 1104 . 1 . 1 108 108 VAL CG1 C 13 23.131 0.3 . 1 . . . . . 108 VAL CG1 . 28118 1 1105 . 1 . 1 108 108 VAL CG2 C 13 20.918 0.3 . 1 . . . . . 108 VAL CG2 . 28118 1 1106 . 1 . 1 108 108 VAL N N 15 122.047 0.3 . 1 . . . . . 108 VAL N . 28118 1 1107 . 1 . 1 109 109 GLY H H 1 8.541 0.020 . 1 . . . . . 109 GLY H . 28118 1 1108 . 1 . 1 109 109 GLY HA2 H 1 3.921 0.020 . 1 . . . . . 109 GLY HA2 . 28118 1 1109 . 1 . 1 109 109 GLY HA3 H 1 3.921 0.020 . 1 . . . . . 109 GLY HA3 . 28118 1 1110 . 1 . 1 109 109 GLY C C 13 174.725 0.3 . 1 . . . . . 109 GLY C . 28118 1 1111 . 1 . 1 109 109 GLY CA C 13 46.090 0.3 . 1 . . . . . 109 GLY CA . 28118 1 1112 . 1 . 1 109 109 GLY N N 15 107.157 0.3 . 1 . . . . . 109 GLY N . 28118 1 1113 . 1 . 1 110 110 LEU H H 1 7.222 0.020 . 1 . . . . . 110 LEU H . 28118 1 1114 . 1 . 1 110 110 LEU HA H 1 4.120 0.020 . 1 . . . . . 110 LEU HA . 28118 1 1115 . 1 . 1 110 110 LEU HB2 H 1 1.845 0.020 . 1 . . . . . 110 LEU HB2 . 28118 1 1116 . 1 . 1 110 110 LEU HB3 H 1 1.845 0.020 . 1 . . . . . 110 LEU HB3 . 28118 1 1117 . 1 . 1 110 110 LEU HG H 1 1.460 0.020 . 1 . . . . . 110 LEU HG . 28118 1 1118 . 1 . 1 110 110 LEU HD11 H 1 0.889 0.020 . 1 . . . . . 110 LEU HD1 . 28118 1 1119 . 1 . 1 110 110 LEU HD12 H 1 0.889 0.020 . 1 . . . . . 110 LEU HD1 . 28118 1 1120 . 1 . 1 110 110 LEU HD13 H 1 0.889 0.020 . 1 . . . . . 110 LEU HD1 . 28118 1 1121 . 1 . 1 110 110 LEU HD21 H 1 0.814 0.020 . 1 . . . . . 110 LEU HD2 . 28118 1 1122 . 1 . 1 110 110 LEU HD22 H 1 0.814 0.020 . 1 . . . . . 110 LEU HD2 . 28118 1 1123 . 1 . 1 110 110 LEU HD23 H 1 0.814 0.020 . 1 . . . . . 110 LEU HD2 . 28118 1 1124 . 1 . 1 110 110 LEU C C 13 179.331 0.3 . 1 . . . . . 110 LEU C . 28118 1 1125 . 1 . 1 110 110 LEU CA C 13 57.093 0.3 . 1 . . . . . 110 LEU CA . 28118 1 1126 . 1 . 1 110 110 LEU CB C 13 41.584 0.3 . 1 . . . . . 110 LEU CB . 28118 1 1127 . 1 . 1 110 110 LEU CG C 13 26.410 0.3 . 1 . . . . . 110 LEU CG . 28118 1 1128 . 1 . 1 110 110 LEU CD1 C 13 25.011 0.3 . 1 . . . . . 110 LEU CD1 . 28118 1 1129 . 1 . 1 110 110 LEU CD2 C 13 22.225 0.3 . 1 . . . . . 110 LEU CD2 . 28118 1 1130 . 1 . 1 110 110 LEU N N 15 118.588 0.3 . 1 . . . . . 110 LEU N . 28118 1 1131 . 1 . 1 111 111 SER H H 1 7.352 0.020 . 1 . . . . . 111 SER H . 28118 1 1132 . 1 . 1 111 111 SER HA H 1 4.376 0.020 . 1 . . . . . 111 SER HA . 28118 1 1133 . 1 . 1 111 111 SER HB2 H 1 3.688 0.020 . 2 . . . . . 111 SER HB2 . 28118 1 1134 . 1 . 1 111 111 SER HB3 H 1 3.434 0.020 . 2 . . . . . 111 SER HB3 . 28118 1 1135 . 1 . 1 111 111 SER CA C 13 59.636 0.3 . 1 . . . . . 111 SER CA . 28118 1 1136 . 1 . 1 111 111 SER CB C 13 64.422 0.3 . 1 . . . . . 111 SER CB . 28118 1 1137 . 1 . 1 111 111 SER N N 15 111.838 0.3 . 1 . . . . . 111 SER N . 28118 1 1138 . 1 . 1 112 112 PHE H H 1 7.783 0.020 . 1 . . . . . 112 PHE H . 28118 1 1139 . 1 . 1 112 112 PHE HA H 1 4.804 0.020 . 1 . . . . . 112 PHE HA . 28118 1 1140 . 1 . 1 112 112 PHE HB2 H 1 2.633 0.020 . 1 . . . . . 112 PHE HB2 . 28118 1 1141 . 1 . 1 112 112 PHE HB3 H 1 2.633 0.020 . 1 . . . . . 112 PHE HB3 . 28118 1 1142 . 1 . 1 112 112 PHE C C 13 174.023 0.3 . 1 . . . . . 112 PHE C . 28118 1 1143 . 1 . 1 112 112 PHE CA C 13 58.108 0.3 . 1 . . . . . 112 PHE CA . 28118 1 1144 . 1 . 1 112 112 PHE CB C 13 38.240 0.3 . 1 . . . . . 112 PHE CB . 28118 1 1145 . 1 . 1 112 112 PHE N N 15 120.853 0.3 . 1 . . . . . 112 PHE N . 28118 1 1146 . 1 . 1 113 113 PRO C C 13 178.132 0.3 . 1 . . . . . 113 PRO C . 28118 1 1147 . 1 . 1 113 113 PRO CA C 13 64.677 0.3 . 1 . . . . . 113 PRO CA . 28118 1 1148 . 1 . 1 113 113 PRO CB C 13 32.321 0.3 . 1 . . . . . 113 PRO CB . 28118 1 1149 . 1 . 1 114 114 GLN H H 1 7.993 0.020 . 1 . . . . . 114 GLN H . 28118 1 1150 . 1 . 1 114 114 GLN HA H 1 4.523 0.020 . 1 . . . . . 114 GLN HA . 28118 1 1151 . 1 . 1 114 114 GLN HB2 H 1 2.207 0.020 . 1 . . . . . 114 GLN HB2 . 28118 1 1152 . 1 . 1 114 114 GLN HB3 H 1 2.207 0.020 . 1 . . . . . 114 GLN HB3 . 28118 1 1153 . 1 . 1 114 114 GLN HG2 H 1 2.262 0.020 . 1 . . . . . 114 GLN HG2 . 28118 1 1154 . 1 . 1 114 114 GLN HG3 H 1 2.262 0.020 . 1 . . . . . 114 GLN HG3 . 28118 1 1155 . 1 . 1 114 114 GLN C C 13 176.066 0.3 . 1 . . . . . 114 GLN C . 28118 1 1156 . 1 . 1 114 114 GLN CA C 13 55.392 0.3 . 1 . . . . . 114 GLN CA . 28118 1 1157 . 1 . 1 114 114 GLN CB C 13 27.549 0.3 . 1 . . . . . 114 GLN CB . 28118 1 1158 . 1 . 1 114 114 GLN CG C 13 34.599 0.3 . 1 . . . . . 114 GLN CG . 28118 1 1159 . 1 . 1 114 114 GLN N N 15 114.653 0.3 . 1 . . . . . 114 GLN N . 28118 1 1160 . 1 . 1 115 115 LEU H H 1 8.168 0.020 . 1 . . . . . 115 LEU H . 28118 1 1161 . 1 . 1 115 115 LEU HA H 1 4.050 0.020 . 1 . . . . . 115 LEU HA . 28118 1 1162 . 1 . 1 115 115 LEU HB2 H 1 1.936 0.020 . 1 . . . . . 115 LEU HB2 . 28118 1 1163 . 1 . 1 115 115 LEU HB3 H 1 1.936 0.020 . 1 . . . . . 115 LEU HB3 . 28118 1 1164 . 1 . 1 115 115 LEU HG H 1 0.755 0.020 . 1 . . . . . 115 LEU HG . 28118 1 1165 . 1 . 1 115 115 LEU HD11 H 1 0.430 0.020 . 1 . . . . . 115 LEU HD1 . 28118 1 1166 . 1 . 1 115 115 LEU HD12 H 1 0.430 0.020 . 1 . . . . . 115 LEU HD1 . 28118 1 1167 . 1 . 1 115 115 LEU HD13 H 1 0.430 0.020 . 1 . . . . . 115 LEU HD1 . 28118 1 1168 . 1 . 1 115 115 LEU HD21 H 1 0.720 0.020 . 1 . . . . . 115 LEU HD2 . 28118 1 1169 . 1 . 1 115 115 LEU HD22 H 1 0.720 0.020 . 1 . . . . . 115 LEU HD2 . 28118 1 1170 . 1 . 1 115 115 LEU HD23 H 1 0.720 0.020 . 1 . . . . . 115 LEU HD2 . 28118 1 1171 . 1 . 1 115 115 LEU C C 13 176.770 0.3 . 1 . . . . . 115 LEU C . 28118 1 1172 . 1 . 1 115 115 LEU CA C 13 57.084 0.3 . 1 . . . . . 115 LEU CA . 28118 1 1173 . 1 . 1 115 115 LEU CB C 13 43.248 0.3 . 1 . . . . . 115 LEU CB . 28118 1 1174 . 1 . 1 115 115 LEU CG C 13 26.860 0.3 . 1 . . . . . 115 LEU CG . 28118 1 1175 . 1 . 1 115 115 LEU CD1 C 13 24.997 0.3 . 1 . . . . . 115 LEU CD1 . 28118 1 1176 . 1 . 1 115 115 LEU CD2 C 13 23.340 0.3 . 1 . . . . . 115 LEU CD2 . 28118 1 1177 . 1 . 1 115 115 LEU N N 15 125.492 0.3 . 1 . . . . . 115 LEU N . 28118 1 1178 . 1 . 1 116 116 ARG H H 1 9.625 0.020 . 1 . . . . . 116 ARG H . 28118 1 1179 . 1 . 1 116 116 ARG HA H 1 5.012 0.020 . 1 . . . . . 116 ARG HA . 28118 1 1180 . 1 . 1 116 116 ARG HB2 H 1 1.931 0.020 . 2 . . . . . 116 ARG HB2 . 28118 1 1181 . 1 . 1 116 116 ARG HB3 H 1 1.785 0.020 . 2 . . . . . 116 ARG HB3 . 28118 1 1182 . 1 . 1 116 116 ARG HG2 H 1 1.719 0.020 . 2 . . . . . 116 ARG HG2 . 28118 1 1183 . 1 . 1 116 116 ARG HG3 H 1 1.611 0.020 . 2 . . . . . 116 ARG HG3 . 28118 1 1184 . 1 . 1 116 116 ARG HD2 H 1 3.173 0.020 . 2 . . . . . 116 ARG HD2 . 28118 1 1185 . 1 . 1 116 116 ARG HD3 H 1 3.277 0.020 . 2 . . . . . 116 ARG HD3 . 28118 1 1186 . 1 . 1 116 116 ARG C C 13 173.393 0.3 . 1 . . . . . 116 ARG C . 28118 1 1187 . 1 . 1 116 116 ARG CA C 13 52.566 0.3 . 1 . . . . . 116 ARG CA . 28118 1 1188 . 1 . 1 116 116 ARG CB C 13 30.050 0.3 . 1 . . . . . 116 ARG CB . 28118 1 1189 . 1 . 1 116 116 ARG CG C 13 26.186 0.3 . 1 . . . . . 116 ARG CG . 28118 1 1190 . 1 . 1 116 116 ARG CD C 13 43.740 0.3 . 1 . . . . . 116 ARG CD . 28118 1 1191 . 1 . 1 116 116 ARG N N 15 130.152 0.3 . 1 . . . . . 116 ARG N . 28118 1 1192 . 1 . 1 118 118 PRO C C 13 174.415 0.3 . 1 . . . . . 118 PRO C . 28118 1 1193 . 1 . 1 118 118 PRO CA C 13 62.165 0.3 . 1 . . . . . 118 PRO CA . 28118 1 1194 . 1 . 1 118 118 PRO CB C 13 32.587 0.3 . 1 . . . . . 118 PRO CB . 28118 1 1195 . 1 . 1 119 119 ALA H H 1 8.771 0.020 . 1 . . . . . 119 ALA H . 28118 1 1196 . 1 . 1 119 119 ALA HA H 1 4.854 0.020 . 1 . . . . . 119 ALA HA . 28118 1 1197 . 1 . 1 119 119 ALA HB1 H 1 1.124 0.020 . 1 . . . . . 119 ALA HB . 28118 1 1198 . 1 . 1 119 119 ALA HB2 H 1 1.124 0.020 . 1 . . . . . 119 ALA HB . 28118 1 1199 . 1 . 1 119 119 ALA HB3 H 1 1.124 0.020 . 1 . . . . . 119 ALA HB . 28118 1 1200 . 1 . 1 119 119 ALA C C 13 175.988 0.3 . 1 . . . . . 119 ALA C . 28118 1 1201 . 1 . 1 119 119 ALA CA C 13 51.164 0.3 . 1 . . . . . 119 ALA CA . 28118 1 1202 . 1 . 1 119 119 ALA CB C 13 21.311 0.3 . 1 . . . . . 119 ALA CB . 28118 1 1203 . 1 . 1 119 119 ALA N N 15 124.107 0.3 . 1 . . . . . 119 ALA N . 28118 1 1204 . 1 . 1 120 120 PHE H H 1 10.101 0.020 . 1 . . . . . 120 PHE H . 28118 1 1205 . 1 . 1 120 120 PHE HA H 1 5.669 0.020 . 1 . . . . . 120 PHE HA . 28118 1 1206 . 1 . 1 120 120 PHE HB2 H 1 2.873 0.020 . 1 . . . . . 120 PHE HB2 . 28118 1 1207 . 1 . 1 120 120 PHE HB3 H 1 2.873 0.020 . 1 . . . . . 120 PHE HB3 . 28118 1 1208 . 1 . 1 120 120 PHE C C 13 174.580 0.3 . 1 . . . . . 120 PHE C . 28118 1 1209 . 1 . 1 120 120 PHE CA C 13 56.513 0.3 . 1 . . . . . 120 PHE CA . 28118 1 1210 . 1 . 1 120 120 PHE CB C 13 42.242 0.3 . 1 . . . . . 120 PHE CB . 28118 1 1211 . 1 . 1 120 120 PHE N N 15 123.409 0.3 . 1 . . . . . 120 PHE N . 28118 1 1212 . 1 . 1 121 121 GLU H H 1 8.573 0.020 . 1 . . . . . 121 GLU H . 28118 1 1213 . 1 . 1 121 121 GLU HA H 1 4.805 0.020 . 1 . . . . . 121 GLU HA . 28118 1 1214 . 1 . 1 121 121 GLU HB2 H 1 1.956 0.020 . 1 . . . . . 121 GLU HB2 . 28118 1 1215 . 1 . 1 121 121 GLU HB3 H 1 1.956 0.020 . 1 . . . . . 121 GLU HB3 . 28118 1 1216 . 1 . 1 121 121 GLU HG2 H 1 2.046 0.020 . 1 . . . . . 121 GLU HG2 . 28118 1 1217 . 1 . 1 121 121 GLU HG3 H 1 2.046 0.020 . 1 . . . . . 121 GLU HG3 . 28118 1 1218 . 1 . 1 121 121 GLU C C 13 175.396 0.3 . 1 . . . . . 121 GLU C . 28118 1 1219 . 1 . 1 121 121 GLU CA C 13 54.828 0.3 . 1 . . . . . 121 GLU CA . 28118 1 1220 . 1 . 1 121 121 GLU CB C 13 32.538 0.3 . 1 . . . . . 121 GLU CB . 28118 1 1221 . 1 . 1 121 121 GLU CG C 13 36.364 0.3 . 1 . . . . . 121 GLU CG . 28118 1 1222 . 1 . 1 121 121 GLU N N 15 122.234 0.3 . 1 . . . . . 121 GLU N . 28118 1 1223 . 1 . 1 122 122 CYS H H 1 9.307 0.020 . 1 . . . . . 122 CYS H . 28118 1 1224 . 1 . 1 122 122 CYS HA H 1 4.996 0.020 . 1 . . . . . 122 CYS HA . 28118 1 1225 . 1 . 1 122 122 CYS HB2 H 1 2.313 0.020 . 1 . . . . . 122 CYS HB2 . 28118 1 1226 . 1 . 1 122 122 CYS HB3 H 1 2.313 0.020 . 1 . . . . . 122 CYS HB3 . 28118 1 1227 . 1 . 1 122 122 CYS C C 13 174.059 0.3 . 1 . . . . . 122 CYS C . 28118 1 1228 . 1 . 1 122 122 CYS CA C 13 57.639 0.3 . 1 . . . . . 122 CYS CA . 28118 1 1229 . 1 . 1 122 122 CYS CB C 13 29.211 0.3 . 1 . . . . . 122 CYS CB . 28118 1 1230 . 1 . 1 122 122 CYS N N 15 126.003 0.3 . 1 . . . . . 122 CYS N . 28118 1 1231 . 1 . 1 123 123 GLN H H 1 8.985 0.020 . 1 . . . . . 123 GLN H . 28118 1 1232 . 1 . 1 123 123 GLN HA H 1 4.570 0.020 . 1 . . . . . 123 GLN HA . 28118 1 1233 . 1 . 1 123 123 GLN HB2 H 1 1.821 0.020 . 1 . . . . . 123 GLN HB2 . 28118 1 1234 . 1 . 1 123 123 GLN HB3 H 1 1.821 0.020 . 1 . . . . . 123 GLN HB3 . 28118 1 1235 . 1 . 1 123 123 GLN C C 13 175.373 0.3 . 1 . . . . . 123 GLN C . 28118 1 1236 . 1 . 1 123 123 GLN CA C 13 57.755 0.3 . 1 . . . . . 123 GLN CA . 28118 1 1237 . 1 . 1 123 123 GLN CB C 13 29.486 0.3 . 1 . . . . . 123 GLN CB . 28118 1 1238 . 1 . 1 123 123 GLN N N 15 124.261 0.3 . 1 . . . . . 123 GLN N . 28118 1 1239 . 1 . 1 124 124 HIS C C 13 176.282 0.3 . 1 . . . . . 124 HIS C . 28118 1 1240 . 1 . 1 124 124 HIS CA C 13 57.917 0.3 . 1 . . . . . 124 HIS CA . 28118 1 1241 . 1 . 1 124 124 HIS CB C 13 29.767 0.3 . 1 . . . . . 124 HIS CB . 28118 1 1242 . 1 . 1 125 125 THR H H 1 8.361 0.020 . 1 . . . . . 125 THR H . 28118 1 1243 . 1 . 1 125 125 THR HA H 1 4.391 0.020 . 1 . . . . . 125 THR HA . 28118 1 1244 . 1 . 1 125 125 THR HB H 1 4.070 0.020 . 1 . . . . . 125 THR HB . 28118 1 1245 . 1 . 1 125 125 THR HG21 H 1 1.168 0.020 . 1 . . . . . 125 THR HG2 . 28118 1 1246 . 1 . 1 125 125 THR HG22 H 1 1.168 0.020 . 1 . . . . . 125 THR HG2 . 28118 1 1247 . 1 . 1 125 125 THR HG23 H 1 1.168 0.020 . 1 . . . . . 125 THR HG2 . 28118 1 1248 . 1 . 1 125 125 THR CA C 13 62.134 0.3 . 1 . . . . . 125 THR CA . 28118 1 1249 . 1 . 1 125 125 THR CB C 13 69.762 0.3 . 1 . . . . . 125 THR CB . 28118 1 1250 . 1 . 1 125 125 THR CG2 C 13 22.428 0.3 . 1 . . . . . 125 THR CG2 . 28118 1 1251 . 1 . 1 125 125 THR N N 15 115.754 0.3 . 1 . . . . . 125 THR N . 28118 1 1252 . 1 . 1 127 127 SER C C 13 173.806 0.3 . 1 . . . . . 127 SER C . 28118 1 1253 . 1 . 1 127 127 SER CA C 13 60.749 0.3 . 1 . . . . . 127 SER CA . 28118 1 1254 . 1 . 1 127 127 SER CB C 13 62.941 0.3 . 1 . . . . . 127 SER CB . 28118 1 1255 . 1 . 1 128 128 LYS H H 1 7.942 0.020 . 1 . . . . . 128 LYS H . 28118 1 1256 . 1 . 1 128 128 LYS HA H 1 4.017 0.020 . 1 . . . . . 128 LYS HA . 28118 1 1257 . 1 . 1 128 128 LYS HB2 H 1 1.377 0.020 . 1 . . . . . 128 LYS HB2 . 28118 1 1258 . 1 . 1 128 128 LYS HB3 H 1 1.377 0.020 . 1 . . . . . 128 LYS HB3 . 28118 1 1259 . 1 . 1 128 128 LYS HG2 H 1 1.167 0.020 . 1 . . . . . 128 LYS HG2 . 28118 1 1260 . 1 . 1 128 128 LYS HG3 H 1 1.167 0.020 . 1 . . . . . 128 LYS HG3 . 28118 1 1261 . 1 . 1 128 128 LYS HD2 H 1 1.518 0.020 . 1 . . . . . 128 LYS HD2 . 28118 1 1262 . 1 . 1 128 128 LYS HD3 H 1 1.518 0.020 . 1 . . . . . 128 LYS HD3 . 28118 1 1263 . 1 . 1 128 128 LYS HE2 H 1 2.870 0.020 . 1 . . . . . 128 LYS HE2 . 28118 1 1264 . 1 . 1 128 128 LYS HE3 H 1 2.870 0.020 . 1 . . . . . 128 LYS HE3 . 28118 1 1265 . 1 . 1 128 128 LYS C C 13 174.408 0.3 . 1 . . . . . 128 LYS C . 28118 1 1266 . 1 . 1 128 128 LYS CA C 13 54.831 0.3 . 1 . . . . . 128 LYS CA . 28118 1 1267 . 1 . 1 128 128 LYS CB C 13 33.161 0.3 . 1 . . . . . 128 LYS CB . 28118 1 1268 . 1 . 1 128 128 LYS CG C 13 24.417 0.3 . 1 . . . . . 128 LYS CG . 28118 1 1269 . 1 . 1 128 128 LYS CD C 13 29.003 0.3 . 1 . . . . . 128 LYS CD . 28118 1 1270 . 1 . 1 128 128 LYS CE C 13 41.875 0.3 . 1 . . . . . 128 LYS CE . 28118 1 1271 . 1 . 1 128 128 LYS N N 15 116.915 0.3 . 1 . . . . . 128 LYS N . 28118 1 1272 . 1 . 1 129 129 SER H H 1 7.300 0.020 . 1 . . . . . 129 SER H . 28118 1 1273 . 1 . 1 129 129 SER HA H 1 5.390 0.020 . 1 . . . . . 129 SER HA . 28118 1 1274 . 1 . 1 129 129 SER HB2 H 1 3.853 0.020 . 2 . . . . . 129 SER HB2 . 28118 1 1275 . 1 . 1 129 129 SER HB3 H 1 3.667 0.020 . 2 . . . . . 129 SER HB3 . 28118 1 1276 . 1 . 1 129 129 SER C C 13 173.422 0.3 . 1 . . . . . 129 SER C . 28118 1 1277 . 1 . 1 129 129 SER CA C 13 57.375 0.3 . 1 . . . . . 129 SER CA . 28118 1 1278 . 1 . 1 129 129 SER CB C 13 66.655 0.3 . 1 . . . . . 129 SER CB . 28118 1 1279 . 1 . 1 129 129 SER N N 15 111.379 0.3 . 1 . . . . . 129 SER N . 28118 1 1280 . 1 . 1 130 130 MET H H 1 9.150 0.020 . 1 . . . . . 130 MET H . 28118 1 1281 . 1 . 1 130 130 MET HA H 1 5.246 0.020 . 1 . . . . . 130 MET HA . 28118 1 1282 . 1 . 1 130 130 MET HB2 H 1 1.740 0.020 . 1 . . . . . 130 MET HB2 . 28118 1 1283 . 1 . 1 130 130 MET HB3 H 1 1.740 0.020 . 1 . . . . . 130 MET HB3 . 28118 1 1284 . 1 . 1 130 130 MET HG2 H 1 2.371 0.020 . 2 . . . . . 130 MET HG2 . 28118 1 1285 . 1 . 1 130 130 MET HG3 H 1 2.206 0.020 . 2 . . . . . 130 MET HG3 . 28118 1 1286 . 1 . 1 130 130 MET C C 13 173.537 0.3 . 1 . . . . . 130 MET C . 28118 1 1287 . 1 . 1 130 130 MET CA C 13 55.108 0.3 . 1 . . . . . 130 MET CA . 28118 1 1288 . 1 . 1 130 130 MET CB C 13 37.660 0.3 . 1 . . . . . 130 MET CB . 28118 1 1289 . 1 . 1 130 130 MET CG C 13 31.273 0.3 . 1 . . . . . 130 MET CG . 28118 1 1290 . 1 . 1 130 130 MET N N 15 118.675 0.3 . 1 . . . . . 130 MET N . 28118 1 1291 . 1 . 1 131 131 GLU H H 1 9.204 0.020 . 1 . . . . . 131 GLU H . 28118 1 1292 . 1 . 1 131 131 GLU HA H 1 5.153 0.020 . 1 . . . . . 131 GLU HA . 28118 1 1293 . 1 . 1 131 131 GLU HB2 H 1 1.839 0.020 . 1 . . . . . 131 GLU HB2 . 28118 1 1294 . 1 . 1 131 131 GLU HB3 H 1 1.839 0.020 . 1 . . . . . 131 GLU HB3 . 28118 1 1295 . 1 . 1 131 131 GLU HG2 H 1 1.981 0.020 . 1 . . . . . 131 GLU HG2 . 28118 1 1296 . 1 . 1 131 131 GLU HG3 H 1 1.981 0.020 . 1 . . . . . 131 GLU HG3 . 28118 1 1297 . 1 . 1 131 131 GLU C C 13 174.657 0.3 . 1 . . . . . 131 GLU C . 28118 1 1298 . 1 . 1 131 131 GLU CA C 13 54.885 0.3 . 1 . . . . . 131 GLU CA . 28118 1 1299 . 1 . 1 131 131 GLU CB C 13 32.054 0.3 . 1 . . . . . 131 GLU CB . 28118 1 1300 . 1 . 1 131 131 GLU CG C 13 36.965 0.3 . 1 . . . . . 131 GLU CG . 28118 1 1301 . 1 . 1 131 131 GLU N N 15 122.126 0.3 . 1 . . . . . 131 GLU N . 28118 1 1302 . 1 . 1 132 132 LEU H H 1 9.562 0.020 . 1 . . . . . 132 LEU H . 28118 1 1303 . 1 . 1 132 132 LEU HA H 1 5.230 0.020 . 1 . . . . . 132 LEU HA . 28118 1 1304 . 1 . 1 132 132 LEU HB2 H 1 2.046 0.020 . 2 . . . . . 132 LEU HB2 . 28118 1 1305 . 1 . 1 132 132 LEU HB3 H 1 1.254 0.020 . 2 . . . . . 132 LEU HB3 . 28118 1 1306 . 1 . 1 132 132 LEU HG H 1 0.750 0.020 . 1 . . . . . 132 LEU HG . 28118 1 1307 . 1 . 1 132 132 LEU HD11 H 1 0.994 0.020 . 1 . . . . . 132 LEU HD1 . 28118 1 1308 . 1 . 1 132 132 LEU HD12 H 1 0.994 0.020 . 1 . . . . . 132 LEU HD1 . 28118 1 1309 . 1 . 1 132 132 LEU HD13 H 1 0.994 0.020 . 1 . . . . . 132 LEU HD1 . 28118 1 1310 . 1 . 1 132 132 LEU C C 13 174.654 0.3 . 1 . . . . . 132 LEU C . 28118 1 1311 . 1 . 1 132 132 LEU CA C 13 52.898 0.3 . 1 . . . . . 132 LEU CA . 28118 1 1312 . 1 . 1 132 132 LEU CB C 13 46.632 0.3 . 1 . . . . . 132 LEU CB . 28118 1 1313 . 1 . 1 132 132 LEU CG C 13 26.972 0.3 . 1 . . . . . 132 LEU CG . 28118 1 1314 . 1 . 1 132 132 LEU CD1 C 13 24.991 0.3 . 1 . . . . . 132 LEU CD1 . 28118 1 1315 . 1 . 1 132 132 LEU N N 15 126.292 0.3 . 1 . . . . . 132 LEU N . 28118 1 1316 . 1 . 1 133 133 HIS H H 1 9.733 0.020 . 1 . . . . . 133 HIS H . 28118 1 1317 . 1 . 1 133 133 HIS HA H 1 4.915 0.020 . 1 . . . . . 133 HIS HA . 28118 1 1318 . 1 . 1 133 133 HIS HB2 H 1 3.292 0.020 . 2 . . . . . 133 HIS HB2 . 28118 1 1319 . 1 . 1 133 133 HIS HB3 H 1 2.872 0.020 . 2 . . . . . 133 HIS HB3 . 28118 1 1320 . 1 . 1 133 133 HIS C C 13 174.025 0.3 . 1 . . . . . 133 HIS C . 28118 1 1321 . 1 . 1 133 133 HIS CA C 13 55.925 0.3 . 1 . . . . . 133 HIS CA . 28118 1 1322 . 1 . 1 133 133 HIS CB C 13 31.449 0.3 . 1 . . . . . 133 HIS CB . 28118 1 1323 . 1 . 1 133 133 HIS N N 15 128.560 0.3 . 1 . . . . . 133 HIS N . 28118 1 1324 . 1 . 1 134 134 TYR H H 1 8.616 0.020 . 1 . . . . . 134 TYR H . 28118 1 1325 . 1 . 1 134 134 TYR HA H 1 5.241 0.020 . 1 . . . . . 134 TYR HA . 28118 1 1326 . 1 . 1 134 134 TYR HB2 H 1 3.086 0.020 . 1 . . . . . 134 TYR HB2 . 28118 1 1327 . 1 . 1 134 134 TYR HB3 H 1 3.086 0.020 . 1 . . . . . 134 TYR HB3 . 28118 1 1328 . 1 . 1 134 134 TYR C C 13 173.094 0.3 . 1 . . . . . 134 TYR C . 28118 1 1329 . 1 . 1 134 134 TYR CA C 13 54.562 0.3 . 1 . . . . . 134 TYR CA . 28118 1 1330 . 1 . 1 134 134 TYR CB C 13 41.822 0.3 . 1 . . . . . 134 TYR CB . 28118 1 1331 . 1 . 1 134 134 TYR N N 15 127.157 0.3 . 1 . . . . . 134 TYR N . 28118 1 1332 . 1 . 1 135 135 GLN H H 1 8.798 0.020 . 1 . . . . . 135 GLN H . 28118 1 1333 . 1 . 1 135 135 GLN HA H 1 4.325 0.020 . 1 . . . . . 135 GLN HA . 28118 1 1334 . 1 . 1 135 135 GLN HB2 H 1 1.644 0.020 . 1 . . . . . 135 GLN HB2 . 28118 1 1335 . 1 . 1 135 135 GLN HB3 H 1 1.644 0.020 . 1 . . . . . 135 GLN HB3 . 28118 1 1336 . 1 . 1 135 135 GLN HG2 H 1 1.895 0.020 . 2 . . . . . 135 GLN HG2 . 28118 1 1337 . 1 . 1 135 135 GLN HG3 H 1 1.802 0.020 . 2 . . . . . 135 GLN HG3 . 28118 1 1338 . 1 . 1 135 135 GLN C C 13 173.317 0.3 . 1 . . . . . 135 GLN C . 28118 1 1339 . 1 . 1 135 135 GLN CA C 13 54.258 0.3 . 1 . . . . . 135 GLN CA . 28118 1 1340 . 1 . 1 135 135 GLN CB C 13 31.187 0.3 . 1 . . . . . 135 GLN CB . 28118 1 1341 . 1 . 1 135 135 GLN CG C 13 33.385 0.3 . 1 . . . . . 135 GLN CG . 28118 1 1342 . 1 . 1 135 135 GLN N N 15 129.107 0.3 . 1 . . . . . 135 GLN N . 28118 1 1343 . 1 . 1 136 136 SER H H 1 8.431 0.020 . 1 . . . . . 136 SER H . 28118 1 1344 . 1 . 1 136 136 SER HA H 1 4.492 0.020 . 1 . . . . . 136 SER HA . 28118 1 1345 . 1 . 1 136 136 SER HB2 H 1 3.279 0.020 . 2 . . . . . 136 SER HB2 . 28118 1 1346 . 1 . 1 136 136 SER HB3 H 1 3.030 0.020 . 2 . . . . . 136 SER HB3 . 28118 1 1347 . 1 . 1 136 136 SER C C 13 175.010 0.3 . 1 . . . . . 136 SER C . 28118 1 1348 . 1 . 1 136 136 SER CA C 13 56.482 0.3 . 1 . . . . . 136 SER CA . 28118 1 1349 . 1 . 1 136 136 SER CB C 13 64.112 0.3 . 1 . . . . . 136 SER CB . 28118 1 1350 . 1 . 1 136 136 SER N N 15 117.159 0.3 . 1 . . . . . 136 SER N . 28118 1 1351 . 1 . 1 137 137 THR H H 1 8.749 0.020 . 1 . . . . . 137 THR H . 28118 1 1352 . 1 . 1 137 137 THR HA H 1 4.311 0.020 . 1 . . . . . 137 THR HA . 28118 1 1353 . 1 . 1 137 137 THR HB H 1 4.286 0.020 . 1 . . . . . 137 THR HB . 28118 1 1354 . 1 . 1 137 137 THR HG21 H 1 1.141 0.020 . 1 . . . . . 137 THR HG2 . 28118 1 1355 . 1 . 1 137 137 THR HG22 H 1 1.141 0.020 . 1 . . . . . 137 THR HG2 . 28118 1 1356 . 1 . 1 137 137 THR HG23 H 1 1.141 0.020 . 1 . . . . . 137 THR HG2 . 28118 1 1357 . 1 . 1 137 137 THR CA C 13 62.982 0.3 . 1 . . . . . 137 THR CA . 28118 1 1358 . 1 . 1 137 137 THR CB C 13 69.419 0.3 . 1 . . . . . 137 THR CB . 28118 1 1359 . 1 . 1 137 137 THR CG2 C 13 21.538 0.3 . 1 . . . . . 137 THR CG2 . 28118 1 1360 . 1 . 1 137 137 THR N N 15 116.700 0.3 . 1 . . . . . 137 THR N . 28118 1 1361 . 1 . 1 138 138 ARG H H 1 9.300 0.020 . 1 . . . . . 138 ARG H . 28118 1 1362 . 1 . 1 138 138 ARG HA H 1 4.395 0.020 . 1 . . . . . 138 ARG HA . 28118 1 1363 . 1 . 1 138 138 ARG HB2 H 1 1.680 0.020 . 1 . . . . . 138 ARG HB2 . 28118 1 1364 . 1 . 1 138 138 ARG HB3 H 1 1.680 0.020 . 1 . . . . . 138 ARG HB3 . 28118 1 1365 . 1 . 1 138 138 ARG HG2 H 1 1.419 0.020 . 1 . . . . . 138 ARG HG2 . 28118 1 1366 . 1 . 1 138 138 ARG HG3 H 1 1.419 0.020 . 1 . . . . . 138 ARG HG3 . 28118 1 1367 . 1 . 1 138 138 ARG HD2 H 1 2.913 0.020 . 1 . . . . . 138 ARG HD2 . 28118 1 1368 . 1 . 1 138 138 ARG HD3 H 1 2.913 0.020 . 1 . . . . . 138 ARG HD3 . 28118 1 1369 . 1 . 1 138 138 ARG C C 13 175.778 0.3 . 1 . . . . . 138 ARG C . 28118 1 1370 . 1 . 1 138 138 ARG CA C 13 55.929 0.3 . 1 . . . . . 138 ARG CA . 28118 1 1371 . 1 . 1 138 138 ARG CB C 13 31.739 0.3 . 1 . . . . . 138 ARG CB . 28118 1 1372 . 1 . 1 138 138 ARG CG C 13 29.190 0.3 . 1 . . . . . 138 ARG CG . 28118 1 1373 . 1 . 1 138 138 ARG CD C 13 41.841 0.3 . 1 . . . . . 138 ARG CD . 28118 1 1374 . 1 . 1 138 138 ARG N N 15 124.277 0.3 . 1 . . . . . 138 ARG N . 28118 1 1375 . 1 . 1 139 139 ALA H H 1 8.397 0.020 . 1 . . . . . 139 ALA H . 28118 1 1376 . 1 . 1 139 139 ALA HA H 1 4.520 0.020 . 1 . . . . . 139 ALA HA . 28118 1 1377 . 1 . 1 139 139 ALA HB1 H 1 1.233 0.020 . 1 . . . . . 139 ALA HB . 28118 1 1378 . 1 . 1 139 139 ALA HB2 H 1 1.233 0.020 . 1 . . . . . 139 ALA HB . 28118 1 1379 . 1 . 1 139 139 ALA HB3 H 1 1.233 0.020 . 1 . . . . . 139 ALA HB . 28118 1 1380 . 1 . 1 139 139 ALA C C 13 179.722 0.3 . 1 . . . . . 139 ALA C . 28118 1 1381 . 1 . 1 139 139 ALA CA C 13 50.996 0.3 . 1 . . . . . 139 ALA CA . 28118 1 1382 . 1 . 1 139 139 ALA CB C 13 20.492 0.3 . 1 . . . . . 139 ALA CB . 28118 1 1383 . 1 . 1 139 139 ALA N N 15 125.371 0.3 . 1 . . . . . 139 ALA N . 28118 1 1384 . 1 . 1 140 140 GLY H H 1 8.688 0.020 . 1 . . . . . 140 GLY H . 28118 1 1385 . 1 . 1 140 140 GLY HA2 H 1 3.919 0.020 . 1 . . . . . 140 GLY HA2 . 28118 1 1386 . 1 . 1 140 140 GLY HA3 H 1 3.919 0.020 . 1 . . . . . 140 GLY HA3 . 28118 1 1387 . 1 . 1 140 140 GLY C C 13 175.571 0.3 . 1 . . . . . 140 GLY C . 28118 1 1388 . 1 . 1 140 140 GLY CA C 13 47.217 0.3 . 1 . . . . . 140 GLY CA . 28118 1 1389 . 1 . 1 140 140 GLY N N 15 106.870 0.3 . 1 . . . . . 140 GLY N . 28118 1 1390 . 1 . 1 141 141 LEU H H 1 8.056 0.020 . 1 . . . . . 141 LEU H . 28118 1 1391 . 1 . 1 141 141 LEU HA H 1 4.669 0.020 . 1 . . . . . 141 LEU HA . 28118 1 1392 . 1 . 1 141 141 LEU HB2 H 1 1.838 0.020 . 1 . . . . . 141 LEU HB2 . 28118 1 1393 . 1 . 1 141 141 LEU HB3 H 1 1.838 0.020 . 1 . . . . . 141 LEU HB3 . 28118 1 1394 . 1 . 1 141 141 LEU HG H 1 0.514 0.020 . 1 . . . . . 141 LEU HG . 28118 1 1395 . 1 . 1 141 141 LEU HD11 H 1 0.410 0.020 . 1 . . . . . 141 LEU HD1 . 28118 1 1396 . 1 . 1 141 141 LEU HD12 H 1 0.410 0.020 . 1 . . . . . 141 LEU HD1 . 28118 1 1397 . 1 . 1 141 141 LEU HD13 H 1 0.410 0.020 . 1 . . . . . 141 LEU HD1 . 28118 1 1398 . 1 . 1 141 141 LEU HD21 H 1 0.556 0.020 . 1 . . . . . 141 LEU HD2 . 28118 1 1399 . 1 . 1 141 141 LEU HD22 H 1 0.556 0.020 . 1 . . . . . 141 LEU HD2 . 28118 1 1400 . 1 . 1 141 141 LEU HD23 H 1 0.556 0.020 . 1 . . . . . 141 LEU HD2 . 28118 1 1401 . 1 . 1 141 141 LEU C C 13 178.089 0.3 . 1 . . . . . 141 LEU C . 28118 1 1402 . 1 . 1 141 141 LEU CA C 13 53.699 0.3 . 1 . . . . . 141 LEU CA . 28118 1 1403 . 1 . 1 141 141 LEU CB C 13 41.036 0.3 . 1 . . . . . 141 LEU CB . 28118 1 1404 . 1 . 1 141 141 LEU CG C 13 25.995 0.3 . 1 . . . . . 141 LEU CG . 28118 1 1405 . 1 . 1 141 141 LEU CD1 C 13 24.999 0.3 . 1 . . . . . 141 LEU CD1 . 28118 1 1406 . 1 . 1 141 141 LEU CD2 C 13 21.869 0.3 . 1 . . . . . 141 LEU CD2 . 28118 1 1407 . 1 . 1 141 141 LEU N N 15 114.563 0.3 . 1 . . . . . 141 LEU N . 28118 1 1408 . 1 . 1 142 142 ALA H H 1 8.962 0.020 . 1 . . . . . 142 ALA H . 28118 1 1409 . 1 . 1 142 142 ALA HA H 1 4.240 0.020 . 1 . . . . . 142 ALA HA . 28118 1 1410 . 1 . 1 142 142 ALA HB1 H 1 1.796 0.020 . 1 . . . . . 142 ALA HB . 28118 1 1411 . 1 . 1 142 142 ALA HB2 H 1 1.796 0.020 . 1 . . . . . 142 ALA HB . 28118 1 1412 . 1 . 1 142 142 ALA HB3 H 1 1.796 0.020 . 1 . . . . . 142 ALA HB . 28118 1 1413 . 1 . 1 142 142 ALA C C 13 176.554 0.3 . 1 . . . . . 142 ALA C . 28118 1 1414 . 1 . 1 142 142 ALA CA C 13 57.636 0.3 . 1 . . . . . 142 ALA CA . 28118 1 1415 . 1 . 1 142 142 ALA CB C 13 16.012 0.3 . 1 . . . . . 142 ALA CB . 28118 1 1416 . 1 . 1 142 142 ALA N N 15 124.703 0.3 . 1 . . . . . 142 ALA N . 28118 1 1417 . 1 . 1 143 143 PRO C C 13 178.579 0.3 . 1 . . . . . 143 PRO C . 28118 1 1418 . 1 . 1 143 143 PRO CA C 13 65.842 0.3 . 1 . . . . . 143 PRO CA . 28118 1 1419 . 1 . 1 143 143 PRO CB C 13 31.182 0.3 . 1 . . . . . 143 PRO CB . 28118 1 1420 . 1 . 1 144 144 MET H H 1 7.259 0.020 . 1 . . . . . 144 MET H . 28118 1 1421 . 1 . 1 144 144 MET HA H 1 4.024 0.020 . 1 . . . . . 144 MET HA . 28118 1 1422 . 1 . 1 144 144 MET HB2 H 1 2.055 0.020 . 1 . . . . . 144 MET HB2 . 28118 1 1423 . 1 . 1 144 144 MET HB3 H 1 2.055 0.020 . 1 . . . . . 144 MET HB3 . 28118 1 1424 . 1 . 1 144 144 MET HG2 H 1 1.730 0.020 . 1 . . . . . 144 MET HG2 . 28118 1 1425 . 1 . 1 144 144 MET HG3 H 1 1.730 0.020 . 1 . . . . . 144 MET HG3 . 28118 1 1426 . 1 . 1 144 144 MET C C 13 178.663 0.3 . 1 . . . . . 144 MET C . 28118 1 1427 . 1 . 1 144 144 MET CA C 13 58.491 0.3 . 1 . . . . . 144 MET CA . 28118 1 1428 . 1 . 1 144 144 MET CB C 13 33.120 0.3 . 1 . . . . . 144 MET CB . 28118 1 1429 . 1 . 1 144 144 MET CG C 13 31.876 0.3 . 1 . . . . . 144 MET CG . 28118 1 1430 . 1 . 1 144 144 MET N N 15 113.173 0.3 . 1 . . . . . 144 MET N . 28118 1 1431 . 1 . 1 145 145 VAL H H 1 7.553 0.020 . 1 . . . . . 145 VAL H . 28118 1 1432 . 1 . 1 145 145 VAL HA H 1 3.229 0.020 . 1 . . . . . 145 VAL HA . 28118 1 1433 . 1 . 1 145 145 VAL HB H 1 1.841 0.020 . 1 . . . . . 145 VAL HB . 28118 1 1434 . 1 . 1 145 145 VAL HG11 H 1 -0.005 0.020 . 1 . . . . . 145 VAL HG1 . 28118 1 1435 . 1 . 1 145 145 VAL HG12 H 1 -0.005 0.020 . 1 . . . . . 145 VAL HG1 . 28118 1 1436 . 1 . 1 145 145 VAL HG13 H 1 -0.005 0.020 . 1 . . . . . 145 VAL HG1 . 28118 1 1437 . 1 . 1 145 145 VAL HG21 H 1 0.071 0.020 . 1 . . . . . 145 VAL HG2 . 28118 1 1438 . 1 . 1 145 145 VAL HG22 H 1 0.071 0.020 . 1 . . . . . 145 VAL HG2 . 28118 1 1439 . 1 . 1 145 145 VAL HG23 H 1 0.071 0.020 . 1 . . . . . 145 VAL HG2 . 28118 1 1440 . 1 . 1 145 145 VAL C C 13 176.695 0.3 . 1 . . . . . 145 VAL C . 28118 1 1441 . 1 . 1 145 145 VAL CA C 13 66.377 0.3 . 1 . . . . . 145 VAL CA . 28118 1 1442 . 1 . 1 145 145 VAL CB C 13 29.767 0.3 . 1 . . . . . 145 VAL CB . 28118 1 1443 . 1 . 1 145 145 VAL CG1 C 13 21.299 0.3 . 1 . . . . . 145 VAL CG1 . 28118 1 1444 . 1 . 1 145 145 VAL CG2 C 13 20.910 0.3 . 1 . . . . . 145 VAL CG2 . 28118 1 1445 . 1 . 1 145 145 VAL N N 15 119.356 0.3 . 1 . . . . . 145 VAL N . 28118 1 1446 . 1 . 1 146 146 LEU H H 1 7.221 0.020 . 1 . . . . . 146 LEU H . 28118 1 1447 . 1 . 1 146 146 LEU HA H 1 4.001 0.020 . 1 . . . . . 146 LEU HA . 28118 1 1448 . 1 . 1 146 146 LEU HB2 H 1 1.843 0.020 . 1 . . . . . 146 LEU HB2 . 28118 1 1449 . 1 . 1 146 146 LEU HB3 H 1 1.843 0.020 . 1 . . . . . 146 LEU HB3 . 28118 1 1450 . 1 . 1 146 146 LEU HG H 1 1.537 0.020 . 1 . . . . . 146 LEU HG . 28118 1 1451 . 1 . 1 146 146 LEU HD11 H 1 1.009 0.020 . 1 . . . . . 146 LEU HD1 . 28118 1 1452 . 1 . 1 146 146 LEU HD12 H 1 1.009 0.020 . 1 . . . . . 146 LEU HD1 . 28118 1 1453 . 1 . 1 146 146 LEU HD13 H 1 1.009 0.020 . 1 . . . . . 146 LEU HD1 . 28118 1 1454 . 1 . 1 146 146 LEU HD21 H 1 0.662 0.020 . 1 . . . . . 146 LEU HD2 . 28118 1 1455 . 1 . 1 146 146 LEU HD22 H 1 0.662 0.020 . 1 . . . . . 146 LEU HD2 . 28118 1 1456 . 1 . 1 146 146 LEU HD23 H 1 0.662 0.020 . 1 . . . . . 146 LEU HD2 . 28118 1 1457 . 1 . 1 146 146 LEU C C 13 178.850 0.3 . 1 . . . . . 146 LEU C . 28118 1 1458 . 1 . 1 146 146 LEU CA C 13 59.297 0.3 . 1 . . . . . 146 LEU CA . 28118 1 1459 . 1 . 1 146 146 LEU CB C 13 41.655 0.3 . 1 . . . . . 146 LEU CB . 28118 1 1460 . 1 . 1 146 146 LEU CG C 13 26.937 0.3 . 1 . . . . . 146 LEU CG . 28118 1 1461 . 1 . 1 146 146 LEU CD1 C 13 25.095 0.3 . 1 . . . . . 146 LEU CD1 . 28118 1 1462 . 1 . 1 146 146 LEU CD2 C 13 22.433 0.3 . 1 . . . . . 146 LEU CD2 . 28118 1 1463 . 1 . 1 146 146 LEU N N 15 118.784 0.3 . 1 . . . . . 146 LEU N . 28118 1 1464 . 1 . 1 147 147 GLY H H 1 7.309 0.020 . 1 . . . . . 147 GLY H . 28118 1 1465 . 1 . 1 147 147 GLY HA2 H 1 3.714 0.020 . 1 . . . . . 147 GLY HA2 . 28118 1 1466 . 1 . 1 147 147 GLY HA3 H 1 3.714 0.020 . 1 . . . . . 147 GLY HA3 . 28118 1 1467 . 1 . 1 147 147 GLY C C 13 175.861 0.3 . 1 . . . . . 147 GLY C . 28118 1 1468 . 1 . 1 147 147 GLY CA C 13 48.357 0.3 . 1 . . . . . 147 GLY CA . 28118 1 1469 . 1 . 1 147 147 GLY N N 15 103.308 0.3 . 1 . . . . . 147 GLY N . 28118 1 1470 . 1 . 1 148 148 LEU H H 1 8.639 0.020 . 1 . . . . . 148 LEU H . 28118 1 1471 . 1 . 1 148 148 LEU HA H 1 3.591 0.020 . 1 . . . . . 148 LEU HA . 28118 1 1472 . 1 . 1 148 148 LEU HB2 H 1 1.727 0.020 . 1 . . . . . 148 LEU HB2 . 28118 1 1473 . 1 . 1 148 148 LEU HB3 H 1 1.727 0.020 . 1 . . . . . 148 LEU HB3 . 28118 1 1474 . 1 . 1 148 148 LEU HG H 1 0.903 0.020 . 1 . . . . . 148 LEU HG . 28118 1 1475 . 1 . 1 148 148 LEU HD11 H 1 0.190 0.020 . 1 . . . . . 148 LEU HD1 . 28118 1 1476 . 1 . 1 148 148 LEU HD12 H 1 0.190 0.020 . 1 . . . . . 148 LEU HD1 . 28118 1 1477 . 1 . 1 148 148 LEU HD13 H 1 0.190 0.020 . 1 . . . . . 148 LEU HD1 . 28118 1 1478 . 1 . 1 148 148 LEU HD21 H 1 0.552 0.020 . 1 . . . . . 148 LEU HD2 . 28118 1 1479 . 1 . 1 148 148 LEU HD22 H 1 0.552 0.020 . 1 . . . . . 148 LEU HD2 . 28118 1 1480 . 1 . 1 148 148 LEU HD23 H 1 0.552 0.020 . 1 . . . . . 148 LEU HD2 . 28118 1 1481 . 1 . 1 148 148 LEU C C 13 179.261 0.3 . 1 . . . . . 148 LEU C . 28118 1 1482 . 1 . 1 148 148 LEU CA C 13 57.901 0.3 . 1 . . . . . 148 LEU CA . 28118 1 1483 . 1 . 1 148 148 LEU CB C 13 40.756 0.3 . 1 . . . . . 148 LEU CB . 28118 1 1484 . 1 . 1 148 148 LEU CG C 13 26.000 0.3 . 1 . . . . . 148 LEU CG . 28118 1 1485 . 1 . 1 148 148 LEU CD1 C 13 24.667 0.3 . 1 . . . . . 148 LEU CD1 . 28118 1 1486 . 1 . 1 148 148 LEU CD2 C 13 21.905 0.3 . 1 . . . . . 148 LEU CD2 . 28118 1 1487 . 1 . 1 148 148 LEU N N 15 124.356 0.3 . 1 . . . . . 148 LEU N . 28118 1 1488 . 1 . 1 149 149 LEU H H 1 7.842 0.020 . 1 . . . . . 149 LEU H . 28118 1 1489 . 1 . 1 149 149 LEU HA H 1 3.752 0.020 . 1 . . . . . 149 LEU HA . 28118 1 1490 . 1 . 1 149 149 LEU HB2 H 1 2.508 0.020 . 1 . . . . . 149 LEU HB2 . 28118 1 1491 . 1 . 1 149 149 LEU HB3 H 1 2.508 0.020 . 1 . . . . . 149 LEU HB3 . 28118 1 1492 . 1 . 1 149 149 LEU CA C 13 58.211 0.3 . 1 . . . . . 149 LEU CA . 28118 1 1493 . 1 . 1 149 149 LEU CB C 13 41.177 0.3 . 1 . . . . . 149 LEU CB . 28118 1 1494 . 1 . 1 149 149 LEU CG C 13 26.008 0.3 . 1 . . . . . 149 LEU CG . 28118 1 1495 . 1 . 1 149 149 LEU CD1 C 13 24.023 0.3 . 1 . . . . . 149 LEU CD1 . 28118 1 1496 . 1 . 1 149 149 LEU CD2 C 13 21.818 0.3 . 1 . . . . . 149 LEU CD2 . 28118 1 1497 . 1 . 1 149 149 LEU N N 15 117.838 0.3 . 1 . . . . . 149 LEU N . 28118 1 1498 . 1 . 1 150 150 HIS H H 1 7.730 0.020 . 1 . . . . . 150 HIS H . 28118 1 1499 . 1 . 1 150 150 HIS HA H 1 4.115 0.020 . 1 . . . . . 150 HIS HA . 28118 1 1500 . 1 . 1 150 150 HIS HB2 H 1 1.969 0.020 . 1 . . . . . 150 HIS HB2 . 28118 1 1501 . 1 . 1 150 150 HIS HB3 H 1 1.969 0.020 . 1 . . . . . 150 HIS HB3 . 28118 1 1502 . 1 . 1 150 150 HIS C C 13 180.182 0.3 . 1 . . . . . 150 HIS C . 28118 1 1503 . 1 . 1 150 150 HIS CA C 13 59.542 0.3 . 1 . . . . . 150 HIS CA . 28118 1 1504 . 1 . 1 150 150 HIS CB C 13 29.549 0.3 . 1 . . . . . 150 HIS CB . 28118 1 1505 . 1 . 1 150 150 HIS N N 15 118.133 0.3 . 1 . . . . . 150 HIS N . 28118 1 1506 . 1 . 1 151 151 GLY H H 1 9.228 0.020 . 1 . . . . . 151 GLY H . 28118 1 1507 . 1 . 1 151 151 GLY HA2 H 1 3.670 0.020 . 1 . . . . . 151 GLY HA2 . 28118 1 1508 . 1 . 1 151 151 GLY HA3 H 1 3.670 0.020 . 1 . . . . . 151 GLY HA3 . 28118 1 1509 . 1 . 1 151 151 GLY C C 13 176.552 0.3 . 1 . . . . . 151 GLY C . 28118 1 1510 . 1 . 1 151 151 GLY CA C 13 47.405 0.3 . 1 . . . . . 151 GLY CA . 28118 1 1511 . 1 . 1 151 151 GLY N N 15 108.670 0.3 . 1 . . . . . 151 GLY N . 28118 1 1512 . 1 . 1 152 152 LEU H H 1 8.827 0.020 . 1 . . . . . 152 LEU H . 28118 1 1513 . 1 . 1 152 152 LEU HA H 1 4.667 0.020 . 1 . . . . . 152 LEU HA . 28118 1 1514 . 1 . 1 152 152 LEU HB2 H 1 1.855 0.020 . 1 . . . . . 152 LEU HB2 . 28118 1 1515 . 1 . 1 152 152 LEU HB3 H 1 1.855 0.020 . 1 . . . . . 152 LEU HB3 . 28118 1 1516 . 1 . 1 152 152 LEU HG H 1 1.161 0.020 . 1 . . . . . 152 LEU HG . 28118 1 1517 . 1 . 1 152 152 LEU HD11 H 1 0.603 0.020 . 1 . . . . . 152 LEU HD1 . 28118 1 1518 . 1 . 1 152 152 LEU HD12 H 1 0.603 0.020 . 1 . . . . . 152 LEU HD1 . 28118 1 1519 . 1 . 1 152 152 LEU HD13 H 1 0.603 0.020 . 1 . . . . . 152 LEU HD1 . 28118 1 1520 . 1 . 1 152 152 LEU HD21 H 1 0.830 0.020 . 1 . . . . . 152 LEU HD2 . 28118 1 1521 . 1 . 1 152 152 LEU HD22 H 1 0.830 0.020 . 1 . . . . . 152 LEU HD2 . 28118 1 1522 . 1 . 1 152 152 LEU HD23 H 1 0.830 0.020 . 1 . . . . . 152 LEU HD2 . 28118 1 1523 . 1 . 1 152 152 LEU C C 13 178.521 0.3 . 1 . . . . . 152 LEU C . 28118 1 1524 . 1 . 1 152 152 LEU CA C 13 57.353 0.3 . 1 . . . . . 152 LEU CA . 28118 1 1525 . 1 . 1 152 152 LEU CB C 13 42.148 0.3 . 1 . . . . . 152 LEU CB . 28118 1 1526 . 1 . 1 152 152 LEU CG C 13 26.886 0.3 . 1 . . . . . 152 LEU CG . 28118 1 1527 . 1 . 1 152 152 LEU CD1 C 13 25.971 0.3 . 1 . . . . . 152 LEU CD1 . 28118 1 1528 . 1 . 1 152 152 LEU CD2 C 13 24.185 0.3 . 1 . . . . . 152 LEU CD2 . 28118 1 1529 . 1 . 1 152 152 LEU N N 15 124.963 0.3 . 1 . . . . . 152 LEU N . 28118 1 1530 . 1 . 1 153 153 GLY H H 1 8.377 0.020 . 1 . . . . . 153 GLY H . 28118 1 1531 . 1 . 1 153 153 GLY HA2 H 1 4.039 0.020 . 2 . . . . . 153 GLY HA2 . 28118 1 1532 . 1 . 1 153 153 GLY HA3 H 1 3.785 0.020 . 2 . . . . . 153 GLY HA3 . 28118 1 1533 . 1 . 1 153 153 GLY C C 13 175.695 0.3 . 1 . . . . . 153 GLY C . 28118 1 1534 . 1 . 1 153 153 GLY CA C 13 48.066 0.3 . 1 . . . . . 153 GLY CA . 28118 1 1535 . 1 . 1 153 153 GLY N N 15 107.753 0.3 . 1 . . . . . 153 GLY N . 28118 1 1536 . 1 . 1 154 154 LYS H H 1 7.393 0.020 . 1 . . . . . 154 LYS H . 28118 1 1537 . 1 . 1 154 154 LYS HA H 1 3.857 0.020 . 1 . . . . . 154 LYS HA . 28118 1 1538 . 1 . 1 154 154 LYS HB2 H 1 1.641 0.020 . 1 . . . . . 154 LYS HB2 . 28118 1 1539 . 1 . 1 154 154 LYS HB3 H 1 1.641 0.020 . 1 . . . . . 154 LYS HB3 . 28118 1 1540 . 1 . 1 154 154 LYS HG2 H 1 1.283 0.020 . 1 . . . . . 154 LYS HG2 . 28118 1 1541 . 1 . 1 154 154 LYS HG3 H 1 1.283 0.020 . 1 . . . . . 154 LYS HG3 . 28118 1 1542 . 1 . 1 154 154 LYS HD2 H 1 1.464 0.020 . 1 . . . . . 154 LYS HD2 . 28118 1 1543 . 1 . 1 154 154 LYS HD3 H 1 1.464 0.020 . 1 . . . . . 154 LYS HD3 . 28118 1 1544 . 1 . 1 154 154 LYS HE2 H 1 2.830 0.020 . 1 . . . . . 154 LYS HE2 . 28118 1 1545 . 1 . 1 154 154 LYS HE3 H 1 2.830 0.020 . 1 . . . . . 154 LYS HE3 . 28118 1 1546 . 1 . 1 154 154 LYS C C 13 179.971 0.3 . 1 . . . . . 154 LYS C . 28118 1 1547 . 1 . 1 154 154 LYS CA C 13 59.312 0.3 . 1 . . . . . 154 LYS CA . 28118 1 1548 . 1 . 1 154 154 LYS CB C 13 32.011 0.3 . 1 . . . . . 154 LYS CB . 28118 1 1549 . 1 . 1 154 154 LYS CG C 13 24.560 0.3 . 1 . . . . . 154 LYS CG . 28118 1 1550 . 1 . 1 154 154 LYS CD C 13 29.064 0.3 . 1 . . . . . 154 LYS CD . 28118 1 1551 . 1 . 1 154 154 LYS CE C 13 41.803 0.3 . 1 . . . . . 154 LYS CE . 28118 1 1552 . 1 . 1 154 154 LYS N N 15 120.027 0.3 . 1 . . . . . 154 LYS N . 28118 1 1553 . 1 . 1 155 155 ARG H H 1 7.732 0.020 . 1 . . . . . 155 ARG H . 28118 1 1554 . 1 . 1 155 155 ARG HA H 1 3.632 0.020 . 1 . . . . . 155 ARG HA . 28118 1 1555 . 1 . 1 155 155 ARG HB2 H 1 1.201 0.020 . 1 . . . . . 155 ARG HB2 . 28118 1 1556 . 1 . 1 155 155 ARG HB3 H 1 1.201 0.020 . 1 . . . . . 155 ARG HB3 . 28118 1 1557 . 1 . 1 155 155 ARG HG2 H 1 1.130 0.020 . 1 . . . . . 155 ARG HG2 . 28118 1 1558 . 1 . 1 155 155 ARG HG3 H 1 1.130 0.020 . 1 . . . . . 155 ARG HG3 . 28118 1 1559 . 1 . 1 155 155 ARG HD2 H 1 2.562 0.020 . 1 . . . . . 155 ARG HD2 . 28118 1 1560 . 1 . 1 155 155 ARG HD3 H 1 2.562 0.020 . 1 . . . . . 155 ARG HD3 . 28118 1 1561 . 1 . 1 155 155 ARG C C 13 177.194 0.3 . 1 . . . . . 155 ARG C . 28118 1 1562 . 1 . 1 155 155 ARG CA C 13 59.050 0.3 . 1 . . . . . 155 ARG CA . 28118 1 1563 . 1 . 1 155 155 ARG CB C 13 28.974 0.3 . 1 . . . . . 155 ARG CB . 28118 1 1564 . 1 . 1 155 155 ARG CG C 13 25.954 0.3 . 1 . . . . . 155 ARG CG . 28118 1 1565 . 1 . 1 155 155 ARG CD C 13 42.507 0.3 . 1 . . . . . 155 ARG CD . 28118 1 1566 . 1 . 1 155 155 ARG N N 15 121.532 0.3 . 1 . . . . . 155 ARG N . 28118 1 1567 . 1 . 1 156 156 PHE H H 1 7.680 0.020 . 1 . . . . . 156 PHE H . 28118 1 1568 . 1 . 1 156 156 PHE HA H 1 4.669 0.020 . 1 . . . . . 156 PHE HA . 28118 1 1569 . 1 . 1 156 156 PHE HB2 H 1 3.550 0.020 . 1 . . . . . 156 PHE HB2 . 28118 1 1570 . 1 . 1 156 156 PHE HB3 H 1 3.550 0.020 . 1 . . . . . 156 PHE HB3 . 28118 1 1571 . 1 . 1 156 156 PHE C C 13 174.654 0.3 . 1 . . . . . 156 PHE C . 28118 1 1572 . 1 . 1 156 156 PHE CA C 13 57.369 0.3 . 1 . . . . . 156 PHE CA . 28118 1 1573 . 1 . 1 156 156 PHE CB C 13 38.489 0.3 . 1 . . . . . 156 PHE CB . 28118 1 1574 . 1 . 1 156 156 PHE N N 15 113.561 0.3 . 1 . . . . . 156 PHE N . 28118 1 1575 . 1 . 1 157 157 GLN H H 1 7.853 0.020 . 1 . . . . . 157 GLN H . 28118 1 1576 . 1 . 1 157 157 GLN HA H 1 3.874 0.020 . 1 . . . . . 157 GLN HA . 28118 1 1577 . 1 . 1 157 157 GLN HB2 H 1 2.159 0.020 . 1 . . . . . 157 GLN HB2 . 28118 1 1578 . 1 . 1 157 157 GLN HB3 H 1 2.159 0.020 . 1 . . . . . 157 GLN HB3 . 28118 1 1579 . 1 . 1 157 157 GLN HG2 H 1 2.242 0.020 . 1 . . . . . 157 GLN HG2 . 28118 1 1580 . 1 . 1 157 157 GLN HG3 H 1 2.242 0.020 . 1 . . . . . 157 GLN HG3 . 28118 1 1581 . 1 . 1 157 157 GLN C C 13 174.663 0.3 . 1 . . . . . 157 GLN C . 28118 1 1582 . 1 . 1 157 157 GLN CA C 13 57.087 0.3 . 1 . . . . . 157 GLN CA . 28118 1 1583 . 1 . 1 157 157 GLN CB C 13 26.102 0.3 . 1 . . . . . 157 GLN CB . 28118 1 1584 . 1 . 1 157 157 GLN CG C 13 34.104 0.3 . 1 . . . . . 157 GLN CG . 28118 1 1585 . 1 . 1 157 157 GLN N N 15 119.483 0.3 . 1 . . . . . 157 GLN N . 28118 1 1586 . 1 . 1 158 158 THR H H 1 8.851 0.020 . 1 . . . . . 158 THR H . 28118 1 1587 . 1 . 1 158 158 THR HA H 1 4.593 0.020 . 1 . . . . . 158 THR HA . 28118 1 1588 . 1 . 1 158 158 THR HB H 1 3.716 0.020 . 1 . . . . . 158 THR HB . 28118 1 1589 . 1 . 1 158 158 THR HG21 H 1 1.117 0.020 . 1 . . . . . 158 THR HG2 . 28118 1 1590 . 1 . 1 158 158 THR HG22 H 1 1.117 0.020 . 1 . . . . . 158 THR HG2 . 28118 1 1591 . 1 . 1 158 158 THR HG23 H 1 1.117 0.020 . 1 . . . . . 158 THR HG2 . 28118 1 1592 . 1 . 1 158 158 THR C C 13 173.182 0.3 . 1 . . . . . 158 THR C . 28118 1 1593 . 1 . 1 158 158 THR CA C 13 60.751 0.3 . 1 . . . . . 158 THR CA . 28118 1 1594 . 1 . 1 158 158 THR CB C 13 72.003 0.3 . 1 . . . . . 158 THR CB . 28118 1 1595 . 1 . 1 158 158 THR CG2 C 13 21.292 0.3 . 1 . . . . . 158 THR CG2 . 28118 1 1596 . 1 . 1 158 158 THR N N 15 115.043 0.3 . 1 . . . . . 158 THR N . 28118 1 1597 . 1 . 1 159 159 LYS H H 1 8.615 0.020 . 1 . . . . . 159 LYS H . 28118 1 1598 . 1 . 1 159 159 LYS HA H 1 4.209 0.020 . 1 . . . . . 159 LYS HA . 28118 1 1599 . 1 . 1 159 159 LYS HB2 H 1 1.741 0.020 . 1 . . . . . 159 LYS HB2 . 28118 1 1600 . 1 . 1 159 159 LYS HB3 H 1 1.741 0.020 . 1 . . . . . 159 LYS HB3 . 28118 1 1601 . 1 . 1 159 159 LYS HG2 H 1 1.439 0.020 . 1 . . . . . 159 LYS HG2 . 28118 1 1602 . 1 . 1 159 159 LYS HG3 H 1 1.439 0.020 . 1 . . . . . 159 LYS HG3 . 28118 1 1603 . 1 . 1 159 159 LYS HD2 H 1 1.583 0.020 . 1 . . . . . 159 LYS HD2 . 28118 1 1604 . 1 . 1 159 159 LYS HD3 H 1 1.583 0.020 . 1 . . . . . 159 LYS HD3 . 28118 1 1605 . 1 . 1 159 159 LYS HE2 H 1 2.880 0.020 . 1 . . . . . 159 LYS HE2 . 28118 1 1606 . 1 . 1 159 159 LYS HE3 H 1 2.880 0.020 . 1 . . . . . 159 LYS HE3 . 28118 1 1607 . 1 . 1 159 159 LYS C C 13 175.986 0.3 . 1 . . . . . 159 LYS C . 28118 1 1608 . 1 . 1 159 159 LYS CA C 13 56.829 0.3 . 1 . . . . . 159 LYS CA . 28118 1 1609 . 1 . 1 159 159 LYS CB C 13 32.522 0.3 . 1 . . . . . 159 LYS CB . 28118 1 1610 . 1 . 1 159 159 LYS CG C 13 24.578 0.3 . 1 . . . . . 159 LYS CG . 28118 1 1611 . 1 . 1 159 159 LYS CD C 13 29.040 0.3 . 1 . . . . . 159 LYS CD . 28118 1 1612 . 1 . 1 159 159 LYS CE C 13 41.777 0.3 . 1 . . . . . 159 LYS CE . 28118 1 1613 . 1 . 1 159 159 LYS N N 15 128.763 0.3 . 1 . . . . . 159 LYS N . 28118 1 1614 . 1 . 1 160 160 VAL H H 1 8.226 0.020 . 1 . . . . . 160 VAL H . 28118 1 1615 . 1 . 1 160 160 VAL HA H 1 5.005 0.020 . 1 . . . . . 160 VAL HA . 28118 1 1616 . 1 . 1 160 160 VAL HB H 1 1.738 0.020 . 1 . . . . . 160 VAL HB . 28118 1 1617 . 1 . 1 160 160 VAL HG11 H 1 0.662 0.020 . 1 . . . . . 160 VAL HG1 . 28118 1 1618 . 1 . 1 160 160 VAL HG12 H 1 0.662 0.020 . 1 . . . . . 160 VAL HG1 . 28118 1 1619 . 1 . 1 160 160 VAL HG13 H 1 0.662 0.020 . 1 . . . . . 160 VAL HG1 . 28118 1 1620 . 1 . 1 160 160 VAL HG21 H 1 0.711 0.020 . 1 . . . . . 160 VAL HG2 . 28118 1 1621 . 1 . 1 160 160 VAL HG22 H 1 0.711 0.020 . 1 . . . . . 160 VAL HG2 . 28118 1 1622 . 1 . 1 160 160 VAL HG23 H 1 0.711 0.020 . 1 . . . . . 160 VAL HG2 . 28118 1 1623 . 1 . 1 160 160 VAL C C 13 174.588 0.3 . 1 . . . . . 160 VAL C . 28118 1 1624 . 1 . 1 160 160 VAL CA C 13 59.623 0.3 . 1 . . . . . 160 VAL CA . 28118 1 1625 . 1 . 1 160 160 VAL CB C 13 35.370 0.3 . 1 . . . . . 160 VAL CB . 28118 1 1626 . 1 . 1 160 160 VAL CG1 C 13 21.824 0.3 . 1 . . . . . 160 VAL CG1 . 28118 1 1627 . 1 . 1 160 160 VAL CG2 C 13 20.260 0.3 . 1 . . . . . 160 VAL CG2 . 28118 1 1628 . 1 . 1 160 160 VAL N N 15 120.260 0.3 . 1 . . . . . 160 VAL N . 28118 1 1629 . 1 . 1 161 161 GLU H H 1 8.822 0.020 . 1 . . . . . 161 GLU H . 28118 1 1630 . 1 . 1 161 161 GLU HA H 1 4.670 0.020 . 1 . . . . . 161 GLU HA . 28118 1 1631 . 1 . 1 161 161 GLU HB2 H 1 1.879 0.020 . 1 . . . . . 161 GLU HB2 . 28118 1 1632 . 1 . 1 161 161 GLU HB3 H 1 1.879 0.020 . 1 . . . . . 161 GLU HB3 . 28118 1 1633 . 1 . 1 161 161 GLU HG2 H 1 2.054 0.020 . 1 . . . . . 161 GLU HG2 . 28118 1 1634 . 1 . 1 161 161 GLU HG3 H 1 2.054 0.020 . 1 . . . . . 161 GLU HG3 . 28118 1 1635 . 1 . 1 161 161 GLU C C 13 175.431 0.3 . 1 . . . . . 161 GLU C . 28118 1 1636 . 1 . 1 161 161 GLU CA C 13 55.106 0.3 . 1 . . . . . 161 GLU CA . 28118 1 1637 . 1 . 1 161 161 GLU CB C 13 32.280 0.3 . 1 . . . . . 161 GLU CB . 28118 1 1638 . 1 . 1 161 161 GLU CG C 13 36.129 0.3 . 1 . . . . . 161 GLU CG . 28118 1 1639 . 1 . 1 161 161 GLU N N 15 125.499 0.3 . 1 . . . . . 161 GLU N . 28118 1 1640 . 1 . 1 162 162 VAL H H 1 9.043 0.020 . 1 . . . . . 162 VAL H . 28118 1 1641 . 1 . 1 162 162 VAL HA H 1 5.027 0.020 . 1 . . . . . 162 VAL HA . 28118 1 1642 . 1 . 1 162 162 VAL HB H 1 1.927 0.020 . 1 . . . . . 162 VAL HB . 28118 1 1643 . 1 . 1 162 162 VAL HG11 H 1 0.855 0.020 . 1 . . . . . 162 VAL HG1 . 28118 1 1644 . 1 . 1 162 162 VAL HG12 H 1 0.855 0.020 . 1 . . . . . 162 VAL HG1 . 28118 1 1645 . 1 . 1 162 162 VAL HG13 H 1 0.855 0.020 . 1 . . . . . 162 VAL HG1 . 28118 1 1646 . 1 . 1 162 162 VAL HG21 H 1 0.709 0.020 . 1 . . . . . 162 VAL HG2 . 28118 1 1647 . 1 . 1 162 162 VAL HG22 H 1 0.709 0.020 . 1 . . . . . 162 VAL HG2 . 28118 1 1648 . 1 . 1 162 162 VAL HG23 H 1 0.709 0.020 . 1 . . . . . 162 VAL HG2 . 28118 1 1649 . 1 . 1 162 162 VAL C C 13 174.590 0.3 . 1 . . . . . 162 VAL C . 28118 1 1650 . 1 . 1 162 162 VAL CA C 13 60.468 0.3 . 1 . . . . . 162 VAL CA . 28118 1 1651 . 1 . 1 162 162 VAL CB C 13 34.247 0.3 . 1 . . . . . 162 VAL CB . 28118 1 1652 . 1 . 1 162 162 VAL CG1 C 13 21.942 0.3 . 1 . . . . . 162 VAL CG1 . 28118 1 1653 . 1 . 1 162 162 VAL CG2 C 13 20.640 0.3 . 1 . . . . . 162 VAL CG2 . 28118 1 1654 . 1 . 1 162 162 VAL N N 15 125.949 0.3 . 1 . . . . . 162 VAL N . 28118 1 1655 . 1 . 1 163 163 THR H H 1 8.838 0.020 . 1 . . . . . 163 THR H . 28118 1 1656 . 1 . 1 163 163 THR HA H 1 4.541 0.020 . 1 . . . . . 163 THR HA . 28118 1 1657 . 1 . 1 163 163 THR HB H 1 3.898 0.020 . 1 . . . . . 163 THR HB . 28118 1 1658 . 1 . 1 163 163 THR HG21 H 1 1.135 0.020 . 1 . . . . . 163 THR HG2 . 28118 1 1659 . 1 . 1 163 163 THR HG22 H 1 1.135 0.020 . 1 . . . . . 163 THR HG2 . 28118 1 1660 . 1 . 1 163 163 THR HG23 H 1 1.135 0.020 . 1 . . . . . 163 THR HG2 . 28118 1 1661 . 1 . 1 163 163 THR C C 13 172.973 0.3 . 1 . . . . . 163 THR C . 28118 1 1662 . 1 . 1 163 163 THR CA C 13 60.753 0.3 . 1 . . . . . 163 THR CA . 28118 1 1663 . 1 . 1 163 163 THR CB C 13 71.697 0.3 . 1 . . . . . 163 THR CB . 28118 1 1664 . 1 . 1 163 163 THR CG2 C 13 21.020 0.3 . 1 . . . . . 163 THR CG2 . 28118 1 1665 . 1 . 1 163 163 THR N N 15 122.254 0.3 . 1 . . . . . 163 THR N . 28118 1 1666 . 1 . 1 164 164 GLN H H 1 9.457 0.020 . 1 . . . . . 164 GLN H . 28118 1 1667 . 1 . 1 164 164 GLN HA H 1 4.197 0.020 . 1 . . . . . 164 GLN HA . 28118 1 1668 . 1 . 1 164 164 GLN HB2 H 1 1.948 0.020 . 1 . . . . . 164 GLN HB2 . 28118 1 1669 . 1 . 1 164 164 GLN HB3 H 1 1.948 0.020 . 1 . . . . . 164 GLN HB3 . 28118 1 1670 . 1 . 1 164 164 GLN HG2 H 1 2.550 0.020 . 1 . . . . . 164 GLN HG2 . 28118 1 1671 . 1 . 1 164 164 GLN HG3 H 1 2.550 0.020 . 1 . . . . . 164 GLN HG3 . 28118 1 1672 . 1 . 1 164 164 GLN C C 13 174.590 0.3 . 1 . . . . . 164 GLN C . 28118 1 1673 . 1 . 1 164 164 GLN CA C 13 56.252 0.3 . 1 . . . . . 164 GLN CA . 28118 1 1674 . 1 . 1 164 164 GLN CB C 13 27.219 0.3 . 1 . . . . . 164 GLN CB . 28118 1 1675 . 1 . 1 164 164 GLN CG C 13 32.110 0.3 . 1 . . . . . 164 GLN CG . 28118 1 1676 . 1 . 1 164 164 GLN N N 15 129.808 0.3 . 1 . . . . . 164 GLN N . 28118 1 1677 . 1 . 1 165 165 THR H H 1 8.374 0.020 . 1 . . . . . 165 THR H . 28118 1 1678 . 1 . 1 165 165 THR HA H 1 4.313 0.020 . 1 . . . . . 165 THR HA . 28118 1 1679 . 1 . 1 165 165 THR HB H 1 4.135 0.020 . 1 . . . . . 165 THR HB . 28118 1 1680 . 1 . 1 165 165 THR HG21 H 1 1.165 0.020 . 1 . . . . . 165 THR HG2 . 28118 1 1681 . 1 . 1 165 165 THR HG22 H 1 1.165 0.020 . 1 . . . . . 165 THR HG2 . 28118 1 1682 . 1 . 1 165 165 THR HG23 H 1 1.165 0.020 . 1 . . . . . 165 THR HG2 . 28118 1 1683 . 1 . 1 165 165 THR CA C 13 61.880 0.3 . 1 . . . . . 165 THR CA . 28118 1 1684 . 1 . 1 165 165 THR CB C 13 68.942 0.3 . 1 . . . . . 165 THR CB . 28118 1 1685 . 1 . 1 165 165 THR CG2 C 13 21.748 0.3 . 1 . . . . . 165 THR CG2 . 28118 1 1686 . 1 . 1 165 165 THR N N 15 116.779 0.3 . 1 . . . . . 165 THR N . 28118 1 1687 . 1 . 1 166 166 ALA H H 1 7.238 0.020 . 1 . . . . . 166 ALA H . 28118 1 1688 . 1 . 1 166 166 ALA HA H 1 4.800 0.020 . 1 . . . . . 166 ALA HA . 28118 1 1689 . 1 . 1 166 166 ALA HB1 H 1 1.139 0.020 . 1 . . . . . 166 ALA HB . 28118 1 1690 . 1 . 1 166 166 ALA HB2 H 1 1.139 0.020 . 1 . . . . . 166 ALA HB . 28118 1 1691 . 1 . 1 166 166 ALA HB3 H 1 1.139 0.020 . 1 . . . . . 166 ALA HB . 28118 1 1692 . 1 . 1 166 166 ALA C C 13 176.344 0.3 . 1 . . . . . 166 ALA C . 28118 1 1693 . 1 . 1 166 166 ALA CA C 13 52.007 0.3 . 1 . . . . . 166 ALA CA . 28118 1 1694 . 1 . 1 166 166 ALA CB C 13 22.156 0.3 . 1 . . . . . 166 ALA CB . 28118 1 1695 . 1 . 1 166 166 ALA N N 15 123.647 0.3 . 1 . . . . . 166 ALA N . 28118 1 1696 . 1 . 1 167 167 PHE H H 1 8.877 0.020 . 1 . . . . . 167 PHE H . 28118 1 1697 . 1 . 1 167 167 PHE HA H 1 4.839 0.020 . 1 . . . . . 167 PHE HA . 28118 1 1698 . 1 . 1 167 167 PHE HB2 H 1 3.128 0.020 . 1 . . . . . 167 PHE HB2 . 28118 1 1699 . 1 . 1 167 167 PHE HB3 H 1 3.128 0.020 . 1 . . . . . 167 PHE HB3 . 28118 1 1700 . 1 . 1 167 167 PHE C C 13 175.921 0.3 . 1 . . . . . 167 PHE C . 28118 1 1701 . 1 . 1 167 167 PHE CA C 13 55.658 0.3 . 1 . . . . . 167 PHE CA . 28118 1 1702 . 1 . 1 167 167 PHE CB C 13 40.471 0.3 . 1 . . . . . 167 PHE CB . 28118 1 1703 . 1 . 1 167 167 PHE N N 15 121.884 0.3 . 1 . . . . . 167 PHE N . 28118 1 1704 . 1 . 1 168 168 ARG H H 1 9.069 0.020 . 1 . . . . . 168 ARG H . 28118 1 1705 . 1 . 1 168 168 ARG HA H 1 4.174 0.020 . 1 . . . . . 168 ARG HA . 28118 1 1706 . 1 . 1 168 168 ARG HB2 H 1 1.534 0.020 . 1 . . . . . 168 ARG HB2 . 28118 1 1707 . 1 . 1 168 168 ARG HB3 H 1 1.534 0.020 . 1 . . . . . 168 ARG HB3 . 28118 1 1708 . 1 . 1 168 168 ARG HG2 H 1 1.593 0.020 . 1 . . . . . 168 ARG HG2 . 28118 1 1709 . 1 . 1 168 168 ARG HG3 H 1 1.593 0.020 . 1 . . . . . 168 ARG HG3 . 28118 1 1710 . 1 . 1 168 168 ARG HD2 H 1 2.900 0.020 . 1 . . . . . 168 ARG HD2 . 28118 1 1711 . 1 . 1 168 168 ARG HD3 H 1 2.900 0.020 . 1 . . . . . 168 ARG HD3 . 28118 1 1712 . 1 . 1 168 168 ARG C C 13 180.028 0.3 . 1 . . . . . 168 ARG C . 28118 1 1713 . 1 . 1 168 168 ARG CA C 13 58.210 0.3 . 1 . . . . . 168 ARG CA . 28118 1 1714 . 1 . 1 168 168 ARG CB C 13 30.466 0.3 . 1 . . . . . 168 ARG CB . 28118 1 1715 . 1 . 1 168 168 ARG CG C 13 26.841 0.3 . 1 . . . . . 168 ARG CG . 28118 1 1716 . 1 . 1 168 168 ARG CD C 13 43.684 0.3 . 1 . . . . . 168 ARG CD . 28118 1 1717 . 1 . 1 168 168 ARG N N 15 128.965 0.3 . 1 . . . . . 168 ARG N . 28118 1 1718 . 1 . 1 169 169 GLU H H 1 9.776 0.020 . 1 . . . . . 169 GLU H . 28118 1 1719 . 1 . 1 169 169 GLU HA H 1 4.113 0.020 . 1 . . . . . 169 GLU HA . 28118 1 1720 . 1 . 1 169 169 GLU HB2 H 1 2.012 0.020 . 1 . . . . . 169 GLU HB2 . 28118 1 1721 . 1 . 1 169 169 GLU HB3 H 1 2.012 0.020 . 1 . . . . . 169 GLU HB3 . 28118 1 1722 . 1 . 1 169 169 GLU HG2 H 1 2.319 0.020 . 1 . . . . . 169 GLU HG2 . 28118 1 1723 . 1 . 1 169 169 GLU HG3 H 1 2.319 0.020 . 1 . . . . . 169 GLU HG3 . 28118 1 1724 . 1 . 1 169 169 GLU C C 13 177.677 0.3 . 1 . . . . . 169 GLU C . 28118 1 1725 . 1 . 1 169 169 GLU CA C 13 59.058 0.3 . 1 . . . . . 169 GLU CA . 28118 1 1726 . 1 . 1 169 169 GLU CB C 13 29.744 0.3 . 1 . . . . . 169 GLU CB . 28118 1 1727 . 1 . 1 169 169 GLU CG C 13 36.533 0.3 . 1 . . . . . 169 GLU CG . 28118 1 1728 . 1 . 1 169 169 GLU N N 15 118.506 0.3 . 1 . . . . . 169 GLU N . 28118 1 1729 . 1 . 1 170 170 THR H H 1 7.365 0.020 . 1 . . . . . 170 THR H . 28118 1 1730 . 1 . 1 170 170 THR HA H 1 4.483 0.020 . 1 . . . . . 170 THR HA . 28118 1 1731 . 1 . 1 170 170 THR HB H 1 4.468 0.020 . 1 . . . . . 170 THR HB . 28118 1 1732 . 1 . 1 170 170 THR HG21 H 1 1.032 0.020 . 1 . . . . . 170 THR HG2 . 28118 1 1733 . 1 . 1 170 170 THR HG22 H 1 1.032 0.020 . 1 . . . . . 170 THR HG2 . 28118 1 1734 . 1 . 1 170 170 THR HG23 H 1 1.032 0.020 . 1 . . . . . 170 THR HG2 . 28118 1 1735 . 1 . 1 170 170 THR C C 13 175.164 0.3 . 1 . . . . . 170 THR C . 28118 1 1736 . 1 . 1 170 170 THR CA C 13 61.301 0.3 . 1 . . . . . 170 THR CA . 28118 1 1737 . 1 . 1 170 170 THR CB C 13 68.389 0.3 . 1 . . . . . 170 THR CB . 28118 1 1738 . 1 . 1 170 170 THR CG2 C 13 21.205 0.3 . 1 . . . . . 170 THR CG2 . 28118 1 1739 . 1 . 1 170 170 THR N N 15 107.276 0.3 . 1 . . . . . 170 THR N . 28118 1 1740 . 1 . 1 171 171 GLY H H 1 7.918 0.020 . 1 . . . . . 171 GLY H . 28118 1 1741 . 1 . 1 171 171 GLY HA2 H 1 4.380 0.020 . 1 . . . . . 171 GLY HA2 . 28118 1 1742 . 1 . 1 171 171 GLY HA3 H 1 4.380 0.020 . 1 . . . . . 171 GLY HA3 . 28118 1 1743 . 1 . 1 171 171 GLY CA C 13 44.945 0.3 . 1 . . . . . 171 GLY CA . 28118 1 1744 . 1 . 1 171 171 GLY N N 15 108.115 0.3 . 1 . . . . . 171 GLY N . 28118 1 1745 . 1 . 1 172 172 GLU H H 1 7.179 0.020 . 1 . . . . . 172 GLU H . 28118 1 1746 . 1 . 1 172 172 GLU HA H 1 4.829 0.020 . 1 . . . . . 172 GLU HA . 28118 1 1747 . 1 . 1 172 172 GLU HB2 H 1 1.556 0.020 . 1 . . . . . 172 GLU HB2 . 28118 1 1748 . 1 . 1 172 172 GLU HB3 H 1 1.556 0.020 . 1 . . . . . 172 GLU HB3 . 28118 1 1749 . 1 . 1 172 172 GLU HG2 H 1 1.889 0.020 . 1 . . . . . 172 GLU HG2 . 28118 1 1750 . 1 . 1 172 172 GLU HG3 H 1 1.889 0.020 . 1 . . . . . 172 GLU HG3 . 28118 1 1751 . 1 . 1 172 172 GLU C C 13 176.015 0.3 . 1 . . . . . 172 GLU C . 28118 1 1752 . 1 . 1 172 172 GLU CA C 13 56.444 0.3 . 1 . . . . . 172 GLU CA . 28118 1 1753 . 1 . 1 172 172 GLU CB C 13 29.204 0.3 . 1 . . . . . 172 GLU CB . 28118 1 1754 . 1 . 1 172 172 GLU CG C 13 36.196 0.3 . 1 . . . . . 172 GLU CG . 28118 1 1755 . 1 . 1 172 172 GLU N N 15 119.194 0.3 . 1 . . . . . 172 GLU N . 28118 1 1756 . 1 . 1 173 173 ASP H H 1 8.568 0.020 . 1 . . . . . 173 ASP H . 28118 1 1757 . 1 . 1 173 173 ASP HA H 1 4.031 0.020 . 1 . . . . . 173 ASP HA . 28118 1 1758 . 1 . 1 173 173 ASP HB2 H 1 2.674 0.020 . 1 . . . . . 173 ASP HB2 . 28118 1 1759 . 1 . 1 173 173 ASP HB3 H 1 2.674 0.020 . 1 . . . . . 173 ASP HB3 . 28118 1 1760 . 1 . 1 173 173 ASP C C 13 175.995 0.3 . 1 . . . . . 173 ASP C . 28118 1 1761 . 1 . 1 173 173 ASP CA C 13 57.951 0.3 . 1 . . . . . 173 ASP CA . 28118 1 1762 . 1 . 1 173 173 ASP CB C 13 42.835 0.3 . 1 . . . . . 173 ASP CB . 28118 1 1763 . 1 . 1 173 173 ASP N N 15 120.213 0.3 . 1 . . . . . 173 ASP N . 28118 1 1764 . 1 . 1 174 174 HIS H H 1 7.418 0.020 . 1 . . . . . 174 HIS H . 28118 1 1765 . 1 . 1 174 174 HIS HA H 1 4.465 0.020 . 1 . . . . . 174 HIS HA . 28118 1 1766 . 1 . 1 174 174 HIS HB2 H 1 3.394 0.020 . 2 . . . . . 174 HIS HB2 . 28118 1 1767 . 1 . 1 174 174 HIS HB3 H 1 3.249 0.020 . 2 . . . . . 174 HIS HB3 . 28118 1 1768 . 1 . 1 174 174 HIS C C 13 171.774 0.3 . 1 . . . . . 174 HIS C . 28118 1 1769 . 1 . 1 174 174 HIS CA C 13 55.040 0.3 . 1 . . . . . 174 HIS CA . 28118 1 1770 . 1 . 1 174 174 HIS CB C 13 29.207 0.3 . 1 . . . . . 174 HIS CB . 28118 1 1771 . 1 . 1 174 174 HIS N N 15 106.344 0.3 . 1 . . . . . 174 HIS N . 28118 1 1772 . 1 . 1 175 175 ASP H H 1 8.220 0.020 . 1 . . . . . 175 ASP H . 28118 1 1773 . 1 . 1 175 175 ASP HA H 1 4.470 0.020 . 1 . . . . . 175 ASP HA . 28118 1 1774 . 1 . 1 175 175 ASP HB2 H 1 2.326 0.020 . 1 . . . . . 175 ASP HB2 . 28118 1 1775 . 1 . 1 175 175 ASP HB3 H 1 2.326 0.020 . 1 . . . . . 175 ASP HB3 . 28118 1 1776 . 1 . 1 175 175 ASP C C 13 175.056 0.3 . 1 . . . . . 175 ASP C . 28118 1 1777 . 1 . 1 175 175 ASP CA C 13 55.102 0.3 . 1 . . . . . 175 ASP CA . 28118 1 1778 . 1 . 1 175 175 ASP CB C 13 43.804 0.3 . 1 . . . . . 175 ASP CB . 28118 1 1779 . 1 . 1 175 175 ASP N N 15 119.066 0.3 . 1 . . . . . 175 ASP N . 28118 1 1780 . 1 . 1 176 176 ILE H H 1 7.166 0.020 . 1 . . . . . 176 ILE H . 28118 1 1781 . 1 . 1 176 176 ILE HA H 1 4.786 0.020 . 1 . . . . . 176 ILE HA . 28118 1 1782 . 1 . 1 176 176 ILE HB H 1 1.119 0.020 . 1 . . . . . 176 ILE HB . 28118 1 1783 . 1 . 1 176 176 ILE HG12 H 1 1.161 0.020 . 1 . . . . . 176 ILE HG12 . 28118 1 1784 . 1 . 1 176 176 ILE HG13 H 1 1.161 0.020 . 1 . . . . . 176 ILE HG13 . 28118 1 1785 . 1 . 1 176 176 ILE HG21 H 1 0.265 0.020 . 1 . . . . . 176 ILE HG2 . 28118 1 1786 . 1 . 1 176 176 ILE HG22 H 1 0.265 0.020 . 1 . . . . . 176 ILE HG2 . 28118 1 1787 . 1 . 1 176 176 ILE HG23 H 1 0.265 0.020 . 1 . . . . . 176 ILE HG2 . 28118 1 1788 . 1 . 1 176 176 ILE HD11 H 1 0.472 0.020 . 1 . . . . . 176 ILE HD1 . 28118 1 1789 . 1 . 1 176 176 ILE HD12 H 1 0.472 0.020 . 1 . . . . . 176 ILE HD1 . 28118 1 1790 . 1 . 1 176 176 ILE HD13 H 1 0.472 0.020 . 1 . . . . . 176 ILE HD1 . 28118 1 1791 . 1 . 1 176 176 ILE C C 13 174.242 0.3 . 1 . . . . . 176 ILE C . 28118 1 1792 . 1 . 1 176 176 ILE CA C 13 60.155 0.3 . 1 . . . . . 176 ILE CA . 28118 1 1793 . 1 . 1 176 176 ILE CB C 13 40.234 0.3 . 1 . . . . . 176 ILE CB . 28118 1 1794 . 1 . 1 176 176 ILE CG1 C 13 27.433 0.3 . 1 . . . . . 176 ILE CG1 . 28118 1 1795 . 1 . 1 176 176 ILE CG2 C 13 16.585 0.3 . 1 . . . . . 176 ILE CG2 . 28118 1 1796 . 1 . 1 176 176 ILE CD1 C 13 13.223 0.3 . 1 . . . . . 176 ILE CD1 . 28118 1 1797 . 1 . 1 176 176 ILE N N 15 119.626 0.3 . 1 . . . . . 176 ILE N . 28118 1 1798 . 1 . 1 177 177 PHE H H 1 9.152 0.020 . 1 . . . . . 177 PHE H . 28118 1 1799 . 1 . 1 177 177 PHE HA H 1 4.962 0.020 . 1 . . . . . 177 PHE HA . 28118 1 1800 . 1 . 1 177 177 PHE HB2 H 1 2.656 0.020 . 1 . . . . . 177 PHE HB2 . 28118 1 1801 . 1 . 1 177 177 PHE HB3 H 1 2.656 0.020 . 1 . . . . . 177 PHE HB3 . 28118 1 1802 . 1 . 1 177 177 PHE CA C 13 55.696 0.3 . 1 . . . . . 177 PHE CA . 28118 1 1803 . 1 . 1 177 177 PHE CB C 13 41.904 0.3 . 1 . . . . . 177 PHE CB . 28118 1 1804 . 1 . 1 177 177 PHE N N 15 123.422 0.3 . 1 . . . . . 177 PHE N . 28118 1 1805 . 1 . 1 178 178 SER H H 1 9.427 0.020 . 1 . . . . . 178 SER H . 28118 1 1806 . 1 . 1 178 178 SER HA H 1 4.993 0.020 . 1 . . . . . 178 SER HA . 28118 1 1807 . 1 . 1 178 178 SER HB2 H 1 3.723 0.020 . 1 . . . . . 178 SER HB2 . 28118 1 1808 . 1 . 1 178 178 SER HB3 H 1 3.723 0.020 . 1 . . . . . 178 SER HB3 . 28118 1 1809 . 1 . 1 178 178 SER C C 13 174.260 0.3 . 1 . . . . . 178 SER C . 28118 1 1810 . 1 . 1 178 178 SER CA C 13 57.639 0.3 . 1 . . . . . 178 SER CA . 28118 1 1811 . 1 . 1 178 178 SER CB C 13 63.571 0.3 . 1 . . . . . 178 SER CB . 28118 1 1812 . 1 . 1 178 178 SER N N 15 119.353 0.3 . 1 . . . . . 178 SER N . 28118 1 1813 . 1 . 1 179 179 ILE H H 1 9.106 0.020 . 1 . . . . . 179 ILE H . 28118 1 1814 . 1 . 1 179 179 ILE HA H 1 4.950 0.020 . 1 . . . . . 179 ILE HA . 28118 1 1815 . 1 . 1 179 179 ILE HB H 1 1.743 0.020 . 1 . . . . . 179 ILE HB . 28118 1 1816 . 1 . 1 179 179 ILE HG12 H 1 1.535 0.020 . 2 . . . . . 179 ILE HG12 . 28118 1 1817 . 1 . 1 179 179 ILE HG13 H 1 0.902 0.020 . 2 . . . . . 179 ILE HG13 . 28118 1 1818 . 1 . 1 179 179 ILE HG21 H 1 0.758 0.020 . 1 . . . . . 179 ILE HG2 . 28118 1 1819 . 1 . 1 179 179 ILE HG22 H 1 0.758 0.020 . 1 . . . . . 179 ILE HG2 . 28118 1 1820 . 1 . 1 179 179 ILE HG23 H 1 0.758 0.020 . 1 . . . . . 179 ILE HG2 . 28118 1 1821 . 1 . 1 179 179 ILE HD11 H 1 0.784 0.020 . 1 . . . . . 179 ILE HD1 . 28118 1 1822 . 1 . 1 179 179 ILE HD12 H 1 0.784 0.020 . 1 . . . . . 179 ILE HD1 . 28118 1 1823 . 1 . 1 179 179 ILE HD13 H 1 0.784 0.020 . 1 . . . . . 179 ILE HD1 . 28118 1 1824 . 1 . 1 179 179 ILE C C 13 174.774 0.3 . 1 . . . . . 179 ILE C . 28118 1 1825 . 1 . 1 179 179 ILE CA C 13 60.459 0.3 . 1 . . . . . 179 ILE CA . 28118 1 1826 . 1 . 1 179 179 ILE CB C 13 40.977 0.3 . 1 . . . . . 179 ILE CB . 28118 1 1827 . 1 . 1 179 179 ILE CG1 C 13 28.068 0.3 . 1 . . . . . 179 ILE CG1 . 28118 1 1828 . 1 . 1 179 179 ILE CG2 C 13 18.368 0.3 . 1 . . . . . 179 ILE CG2 . 28118 1 1829 . 1 . 1 179 179 ILE CD1 C 13 16.541 0.3 . 1 . . . . . 179 ILE CD1 . 28118 1 1830 . 1 . 1 179 179 ILE N N 15 127.052 0.3 . 1 . . . . . 179 ILE N . 28118 1 1831 . 1 . 1 180 180 LYS H H 1 8.869 0.020 . 1 . . . . . 180 LYS H . 28118 1 1832 . 1 . 1 180 180 LYS HA H 1 4.962 0.020 . 1 . . . . . 180 LYS HA . 28118 1 1833 . 1 . 1 180 180 LYS HB2 H 1 1.639 0.020 . 2 . . . . . 180 LYS HB2 . 28118 1 1834 . 1 . 1 180 180 LYS HB3 H 1 1.816 0.020 . 2 . . . . . 180 LYS HB3 . 28118 1 1835 . 1 . 1 180 180 LYS HG2 H 1 1.262 0.020 . 2 . . . . . 180 LYS HG2 . 28118 1 1836 . 1 . 1 180 180 LYS HG3 H 1 1.386 0.020 . 2 . . . . . 180 LYS HG3 . 28118 1 1837 . 1 . 1 180 180 LYS HD2 H 1 1.544 0.020 . 1 . . . . . 180 LYS HD2 . 28118 1 1838 . 1 . 1 180 180 LYS HD3 H 1 1.544 0.020 . 1 . . . . . 180 LYS HD3 . 28118 1 1839 . 1 . 1 180 180 LYS HE2 H 1 2.819 0.020 . 1 . . . . . 180 LYS HE2 . 28118 1 1840 . 1 . 1 180 180 LYS HE3 H 1 2.819 0.020 . 1 . . . . . 180 LYS HE3 . 28118 1 1841 . 1 . 1 180 180 LYS C C 13 175.360 0.3 . 1 . . . . . 180 LYS C . 28118 1 1842 . 1 . 1 180 180 LYS CA C 13 54.826 0.3 . 1 . . . . . 180 LYS CA . 28118 1 1843 . 1 . 1 180 180 LYS CB C 13 34.831 0.3 . 1 . . . . . 180 LYS CB . 28118 1 1844 . 1 . 1 180 180 LYS CG C 13 24.645 0.3 . 1 . . . . . 180 LYS CG . 28118 1 1845 . 1 . 1 180 180 LYS CD C 13 29.030 0.3 . 1 . . . . . 180 LYS CD . 28118 1 1846 . 1 . 1 180 180 LYS CE C 13 41.838 0.3 . 1 . . . . . 180 LYS CE . 28118 1 1847 . 1 . 1 180 180 LYS N N 15 128.242 0.3 . 1 . . . . . 180 LYS N . 28118 1 1848 . 1 . 1 181 181 TYR H H 1 8.164 0.020 . 1 . . . . . 181 TYR H . 28118 1 1849 . 1 . 1 181 181 TYR HA H 1 5.523 0.020 . 1 . . . . . 181 TYR HA . 28118 1 1850 . 1 . 1 181 181 TYR HB2 H 1 2.841 0.020 . 1 . . . . . 181 TYR HB2 . 28118 1 1851 . 1 . 1 181 181 TYR HB3 H 1 2.841 0.020 . 1 . . . . . 181 TYR HB3 . 28118 1 1852 . 1 . 1 181 181 TYR C C 13 174.018 0.3 . 1 . . . . . 181 TYR C . 28118 1 1853 . 1 . 1 181 181 TYR CA C 13 54.598 0.3 . 1 . . . . . 181 TYR CA . 28118 1 1854 . 1 . 1 181 181 TYR CB C 13 39.946 0.3 . 1 . . . . . 181 TYR CB . 28118 1 1855 . 1 . 1 181 181 TYR N N 15 121.790 0.3 . 1 . . . . . 181 TYR N . 28118 1 1856 . 1 . 1 182 182 GLU H H 1 8.046 0.020 . 1 . . . . . 182 GLU H . 28118 1 1857 . 1 . 1 182 182 GLU HA H 1 4.397 0.020 . 1 . . . . . 182 GLU HA . 28118 1 1858 . 1 . 1 182 182 GLU HB2 H 1 2.056 0.020 . 1 . . . . . 182 GLU HB2 . 28118 1 1859 . 1 . 1 182 182 GLU HB3 H 1 2.056 0.020 . 1 . . . . . 182 GLU HB3 . 28118 1 1860 . 1 . 1 182 182 GLU HG2 H 1 2.167 0.020 . 1 . . . . . 182 GLU HG2 . 28118 1 1861 . 1 . 1 182 182 GLU HG3 H 1 2.167 0.020 . 1 . . . . . 182 GLU HG3 . 28118 1 1862 . 1 . 1 182 182 GLU C C 13 174.586 0.3 . 1 . . . . . 182 GLU C . 28118 1 1863 . 1 . 1 182 182 GLU CA C 13 55.956 0.3 . 1 . . . . . 182 GLU CA . 28118 1 1864 . 1 . 1 182 182 GLU CB C 13 32.270 0.3 . 1 . . . . . 182 GLU CB . 28118 1 1865 . 1 . 1 182 182 GLU CG C 13 36.156 0.3 . 1 . . . . . 182 GLU CG . 28118 1 1866 . 1 . 1 182 182 GLU N N 15 119.167 0.3 . 1 . . . . . 182 GLU N . 28118 1 1867 . 1 . 1 183 183 ASP H H 1 8.199 0.020 . 1 . . . . . 183 ASP H . 28118 1 1868 . 1 . 1 183 183 ASP HA H 1 4.466 0.020 . 1 . . . . . 183 ASP HA . 28118 1 1869 . 1 . 1 183 183 ASP HB2 H 1 2.652 0.020 . 1 . . . . . 183 ASP HB2 . 28118 1 1870 . 1 . 1 183 183 ASP HB3 H 1 2.652 0.020 . 1 . . . . . 183 ASP HB3 . 28118 1 1871 . 1 . 1 183 183 ASP C C 13 180.923 0.3 . 1 . . . . . 183 ASP C . 28118 1 1872 . 1 . 1 183 183 ASP CA C 13 55.673 0.3 . 1 . . . . . 183 ASP CA . 28118 1 1873 . 1 . 1 183 183 ASP CB C 13 42.145 0.3 . 1 . . . . . 183 ASP CB . 28118 1 1874 . 1 . 1 183 183 ASP N N 15 127.990 0.3 . 1 . . . . . 183 ASP N . 28118 1 stop_ save_