data_51495 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51495 _Entry.Title ; Backbone and side chain NMR assignment of the heme-nitric oxide/oxygen binding (H-NOX) domain from Nostoc punctiforme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-17 _Entry.Accession_date 2022-06-17 _Entry.Last_release_date 2022-06-17 _Entry.Original_release_date 2022-06-17 _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 Styliani Chasapi . A. . 0000-0002-8721-1227 51495 2 Aikaterini Argyriou . I. . 0000-0001-6574-9985 51495 3 Georgios Spyroulias . A. . 0000-0003-1799-3312 51495 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Pharmacy, University of Patras Greece 26504' . 51495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 647 51495 '15N chemical shifts' 146 51495 '1H chemical shifts' 1022 51495 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-10-10 2022-06-17 update BMRB 'update entry citation' 51495 1 . . 2022-09-08 2022-06-17 original author 'original release' 51495 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51495 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36066818 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and side chain NMR assignment of the heme-nitric oxide/oxygen binding (H-NOX) domain from Nostoc punctiforme ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 379 _Citation.Page_last 384 _Citation.Year 2022 _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 Styliani Chasapi . A. . . 51495 1 2 Aikaterini Argyriou . I. . . 51495 1 3 Georgios Spyroulias . A. . . 51495 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'H-NOX, soluble guanylyl cyclase, sGC, NMR spectroscopy, Nostoc punctiforme' 51495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51495 _Assembly.ID 1 _Assembly.Name 'Npun H-NOX/heme' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20807.55 _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 'Npun H-NOX' 1 $entity_1 . . yes native no no . . . 51495 1 2 HEME 2 $entity_HEM . . no native no no . . . 51495 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 HIS 104 104 NE2 . 2 . 2 HEM 1 1 FE . . . . . . . . . . . . 51495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51495 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MYGLVNKAIQDMVCSRFGEE TWKQIKHKAEVDVDVFLSME GYPDDITHKLVKAASVILSL SPKQIMQAFGEFWVQYTAQE GYGEMLDMSGDTLPEFLENL DNLHARVGVSFPKLQPPSFE CTDMEENSLSLHYRSDREGL TPMVIGLIKGLGTRFDTEVH ITQTQNRDEGAEHDEFLVIY KPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-183 _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP B2IZ76 . 'Heme NO binding domain protein/NOSP7' . . . . . . . . . . . . . . 51495 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 . 51495 1 2 . TYR . 51495 1 3 . GLY . 51495 1 4 . LEU . 51495 1 5 . VAL . 51495 1 6 . ASN . 51495 1 7 . LYS . 51495 1 8 . ALA . 51495 1 9 . ILE . 51495 1 10 . GLN . 51495 1 11 . ASP . 51495 1 12 . MET . 51495 1 13 . VAL . 51495 1 14 . CYS . 51495 1 15 . SER . 51495 1 16 . ARG . 51495 1 17 . PHE . 51495 1 18 . GLY . 51495 1 19 . GLU . 51495 1 20 . GLU . 51495 1 21 . THR . 51495 1 22 . TRP . 51495 1 23 . LYS . 51495 1 24 . GLN . 51495 1 25 . ILE . 51495 1 26 . LYS . 51495 1 27 . HIS . 51495 1 28 . LYS . 51495 1 29 . ALA . 51495 1 30 . GLU . 51495 1 31 . VAL . 51495 1 32 . ASP . 51495 1 33 . VAL . 51495 1 34 . ASP . 51495 1 35 . VAL . 51495 1 36 . PHE . 51495 1 37 . LEU . 51495 1 38 . SER . 51495 1 39 . MET . 51495 1 40 . GLU . 51495 1 41 . GLY . 51495 1 42 . TYR . 51495 1 43 . PRO . 51495 1 44 . ASP . 51495 1 45 . ASP . 51495 1 46 . ILE . 51495 1 47 . THR . 51495 1 48 . HIS . 51495 1 49 . LYS . 51495 1 50 . LEU . 51495 1 51 . VAL . 51495 1 52 . LYS . 51495 1 53 . ALA . 51495 1 54 . ALA . 51495 1 55 . SER . 51495 1 56 . VAL . 51495 1 57 . ILE . 51495 1 58 . LEU . 51495 1 59 . SER . 51495 1 60 . LEU . 51495 1 61 . SER . 51495 1 62 . PRO . 51495 1 63 . LYS . 51495 1 64 . GLN . 51495 1 65 . ILE . 51495 1 66 . MET . 51495 1 67 . GLN . 51495 1 68 . ALA . 51495 1 69 . PHE . 51495 1 70 . GLY . 51495 1 71 . GLU . 51495 1 72 . PHE . 51495 1 73 . TRP . 51495 1 74 . VAL . 51495 1 75 . GLN . 51495 1 76 . TYR . 51495 1 77 . THR . 51495 1 78 . ALA . 51495 1 79 . GLN . 51495 1 80 . GLU . 51495 1 81 . GLY . 51495 1 82 . TYR . 51495 1 83 . GLY . 51495 1 84 . GLU . 51495 1 85 . MET . 51495 1 86 . LEU . 51495 1 87 . ASP . 51495 1 88 . MET . 51495 1 89 . SER . 51495 1 90 . GLY . 51495 1 91 . ASP . 51495 1 92 . THR . 51495 1 93 . LEU . 51495 1 94 . PRO . 51495 1 95 . GLU . 51495 1 96 . PHE . 51495 1 97 . LEU . 51495 1 98 . GLU . 51495 1 99 . ASN . 51495 1 100 . LEU . 51495 1 101 . ASP . 51495 1 102 . ASN . 51495 1 103 . LEU . 51495 1 104 . HIS . 51495 1 105 . ALA . 51495 1 106 . ARG . 51495 1 107 . VAL . 51495 1 108 . GLY . 51495 1 109 . VAL . 51495 1 110 . SER . 51495 1 111 . PHE . 51495 1 112 . PRO . 51495 1 113 . LYS . 51495 1 114 . LEU . 51495 1 115 . GLN . 51495 1 116 . PRO . 51495 1 117 . PRO . 51495 1 118 . SER . 51495 1 119 . PHE . 51495 1 120 . GLU . 51495 1 121 . CYS . 51495 1 122 . THR . 51495 1 123 . ASP . 51495 1 124 . MET . 51495 1 125 . GLU . 51495 1 126 . GLU . 51495 1 127 . ASN . 51495 1 128 . SER . 51495 1 129 . LEU . 51495 1 130 . SER . 51495 1 131 . LEU . 51495 1 132 . HIS . 51495 1 133 . TYR . 51495 1 134 . ARG . 51495 1 135 . SER . 51495 1 136 . ASP . 51495 1 137 . ARG . 51495 1 138 . GLU . 51495 1 139 . GLY . 51495 1 140 . LEU . 51495 1 141 . THR . 51495 1 142 . PRO . 51495 1 143 . MET . 51495 1 144 . VAL . 51495 1 145 . ILE . 51495 1 146 . GLY . 51495 1 147 . LEU . 51495 1 148 . ILE . 51495 1 149 . LYS . 51495 1 150 . GLY . 51495 1 151 . LEU . 51495 1 152 . GLY . 51495 1 153 . THR . 51495 1 154 . ARG . 51495 1 155 . PHE . 51495 1 156 . ASP . 51495 1 157 . THR . 51495 1 158 . GLU . 51495 1 159 . VAL . 51495 1 160 . HIS . 51495 1 161 . ILE . 51495 1 162 . THR . 51495 1 163 . GLN . 51495 1 164 . THR . 51495 1 165 . GLN . 51495 1 166 . ASN . 51495 1 167 . ARG . 51495 1 168 . ASP . 51495 1 169 . GLU . 51495 1 170 . GLY . 51495 1 171 . ALA . 51495 1 172 . GLU . 51495 1 173 . HIS . 51495 1 174 . ASP . 51495 1 175 . GLU . 51495 1 176 . PHE . 51495 1 177 . LEU . 51495 1 178 . VAL . 51495 1 179 . ILE . 51495 1 180 . TYR . 51495 1 181 . LYS . 51495 1 182 . PRO . 51495 1 183 . ASN . 51495 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 51495 1 . TYR 2 2 51495 1 . GLY 3 3 51495 1 . LEU 4 4 51495 1 . VAL 5 5 51495 1 . ASN 6 6 51495 1 . LYS 7 7 51495 1 . ALA 8 8 51495 1 . ILE 9 9 51495 1 . GLN 10 10 51495 1 . ASP 11 11 51495 1 . MET 12 12 51495 1 . VAL 13 13 51495 1 . CYS 14 14 51495 1 . SER 15 15 51495 1 . ARG 16 16 51495 1 . PHE 17 17 51495 1 . GLY 18 18 51495 1 . GLU 19 19 51495 1 . GLU 20 20 51495 1 . THR 21 21 51495 1 . TRP 22 22 51495 1 . LYS 23 23 51495 1 . GLN 24 24 51495 1 . ILE 25 25 51495 1 . LYS 26 26 51495 1 . HIS 27 27 51495 1 . LYS 28 28 51495 1 . ALA 29 29 51495 1 . GLU 30 30 51495 1 . VAL 31 31 51495 1 . ASP 32 32 51495 1 . VAL 33 33 51495 1 . ASP 34 34 51495 1 . VAL 35 35 51495 1 . PHE 36 36 51495 1 . LEU 37 37 51495 1 . SER 38 38 51495 1 . MET 39 39 51495 1 . GLU 40 40 51495 1 . GLY 41 41 51495 1 . TYR 42 42 51495 1 . PRO 43 43 51495 1 . ASP 44 44 51495 1 . ASP 45 45 51495 1 . ILE 46 46 51495 1 . THR 47 47 51495 1 . HIS 48 48 51495 1 . LYS 49 49 51495 1 . LEU 50 50 51495 1 . VAL 51 51 51495 1 . LYS 52 52 51495 1 . ALA 53 53 51495 1 . ALA 54 54 51495 1 . SER 55 55 51495 1 . VAL 56 56 51495 1 . ILE 57 57 51495 1 . LEU 58 58 51495 1 . SER 59 59 51495 1 . LEU 60 60 51495 1 . SER 61 61 51495 1 . PRO 62 62 51495 1 . LYS 63 63 51495 1 . GLN 64 64 51495 1 . ILE 65 65 51495 1 . MET 66 66 51495 1 . GLN 67 67 51495 1 . ALA 68 68 51495 1 . PHE 69 69 51495 1 . GLY 70 70 51495 1 . GLU 71 71 51495 1 . PHE 72 72 51495 1 . TRP 73 73 51495 1 . VAL 74 74 51495 1 . GLN 75 75 51495 1 . TYR 76 76 51495 1 . THR 77 77 51495 1 . ALA 78 78 51495 1 . GLN 79 79 51495 1 . GLU 80 80 51495 1 . GLY 81 81 51495 1 . TYR 82 82 51495 1 . GLY 83 83 51495 1 . GLU 84 84 51495 1 . MET 85 85 51495 1 . LEU 86 86 51495 1 . ASP 87 87 51495 1 . MET 88 88 51495 1 . SER 89 89 51495 1 . GLY 90 90 51495 1 . ASP 91 91 51495 1 . THR 92 92 51495 1 . LEU 93 93 51495 1 . PRO 94 94 51495 1 . GLU 95 95 51495 1 . PHE 96 96 51495 1 . LEU 97 97 51495 1 . GLU 98 98 51495 1 . ASN 99 99 51495 1 . LEU 100 100 51495 1 . ASP 101 101 51495 1 . ASN 102 102 51495 1 . LEU 103 103 51495 1 . HIS 104 104 51495 1 . ALA 105 105 51495 1 . ARG 106 106 51495 1 . VAL 107 107 51495 1 . GLY 108 108 51495 1 . VAL 109 109 51495 1 . SER 110 110 51495 1 . PHE 111 111 51495 1 . PRO 112 112 51495 1 . LYS 113 113 51495 1 . LEU 114 114 51495 1 . GLN 115 115 51495 1 . PRO 116 116 51495 1 . PRO 117 117 51495 1 . SER 118 118 51495 1 . PHE 119 119 51495 1 . GLU 120 120 51495 1 . CYS 121 121 51495 1 . THR 122 122 51495 1 . ASP 123 123 51495 1 . MET 124 124 51495 1 . GLU 125 125 51495 1 . GLU 126 126 51495 1 . ASN 127 127 51495 1 . SER 128 128 51495 1 . LEU 129 129 51495 1 . SER 130 130 51495 1 . LEU 131 131 51495 1 . HIS 132 132 51495 1 . TYR 133 133 51495 1 . ARG 134 134 51495 1 . SER 135 135 51495 1 . ASP 136 136 51495 1 . ARG 137 137 51495 1 . GLU 138 138 51495 1 . GLY 139 139 51495 1 . LEU 140 140 51495 1 . THR 141 141 51495 1 . PRO 142 142 51495 1 . MET 143 143 51495 1 . VAL 144 144 51495 1 . ILE 145 145 51495 1 . GLY 146 146 51495 1 . LEU 147 147 51495 1 . ILE 148 148 51495 1 . LYS 149 149 51495 1 . GLY 150 150 51495 1 . LEU 151 151 51495 1 . GLY 152 152 51495 1 . THR 153 153 51495 1 . ARG 154 154 51495 1 . PHE 155 155 51495 1 . ASP 156 156 51495 1 . THR 157 157 51495 1 . GLU 158 158 51495 1 . VAL 159 159 51495 1 . HIS 160 160 51495 1 . ILE 161 161 51495 1 . THR 162 162 51495 1 . GLN 163 163 51495 1 . THR 164 164 51495 1 . GLN 165 165 51495 1 . ASN 166 166 51495 1 . ARG 167 167 51495 1 . ASP 168 168 51495 1 . GLU 169 169 51495 1 . GLY 170 170 51495 1 . ALA 171 171 51495 1 . GLU 172 172 51495 1 . HIS 173 173 51495 1 . ASP 174 174 51495 1 . GLU 175 175 51495 1 . PHE 176 176 51495 1 . LEU 177 177 51495 1 . VAL 178 178 51495 1 . ILE 179 179 51495 1 . TYR 180 180 51495 1 . LYS 181 181 51495 1 . PRO 182 182 51495 1 . ASN 183 183 51495 1 stop_ save_ save_entity_HEM _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM _Entity.Entry_ID 51495 _Entity.ID 2 _Entity.BMRB_code HEM _Entity.Name entity_HEM _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 HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _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 616.487 _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 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 51495 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 51495 2 HEM 'Three letter code' 51495 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 HEM $chem_comp_HEM 51495 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51495 _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 $entity_1 . 272131 organism . 'Nostoc punctiforme' 'Nostoc punctiforme' . . Bacteria . Nostoc punctiforme 'ATCC 29133' . . . . . . . . . . Npun_R4836 . 51495 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51495 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) Star' . . plasmid . . pet22b(+) . . . 51495 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 51495 _Chem_comp.ID HEM _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEM _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MHM _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEM _Chem_comp.Number_atoms_all 75 _Chem_comp.Number_atoms_nh 43 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; ; _Chem_comp.Mon_nstd_flag no _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 HEME _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.487 _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 3IA3 _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 C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O SMILES ACDLabs 12.01 51495 HEM CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C SMILES CACTVS 3.385 51495 HEM CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C SMILES_CANONICAL CACTVS 3.385 51495 HEM Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 51495 HEM Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 51495 HEM ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; ; InChI InChI 1.03 51495 HEM KABFMIBPWCXCRK-RGGAHWMASA-L InChIKey InChI 1.03 51495 HEM 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 '3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 51495 HEM [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron 'SYSTEMATIC NAME' ACDLabs 12.01 51495 HEM 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 CHA CHA CHA CHA . C . . N 0 . . . 1 N N . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 51495 HEM CHB CHB CHB CHB . C . . N 0 . . . 1 N N . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 51495 HEM CHC CHC CHC CHC . C . . N 0 . . . 1 N N . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 51495 HEM CHD CHD CHD CHD . C . . N 0 . . . 1 N N . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 51495 HEM C1A C1A C1A C1A . C . . N 0 . . . 1 Y N . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 51495 HEM C2A C2A C2A C2A . C . . N 0 . . . 1 Y N . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 51495 HEM C3A C3A C3A C3A . C . . N 0 . . . 1 Y N . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 51495 HEM C4A C4A C4A C4A . C . . N 0 . . . 1 Y N . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 51495 HEM CMA CMA CMA CMA . C . . N 0 . . . 1 N N . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 51495 HEM CAA CAA CAA CAA . C . . N 0 . . . 1 N N . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 51495 HEM CBA CBA CBA CBA . C . . N 0 . . . 1 N N . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 51495 HEM CGA CGA CGA CGA . C . . N 0 . . . 1 N N . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 51495 HEM O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 51495 HEM O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 51495 HEM C1B C1B C1B C1B . C . . N 0 . . . 1 N N . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 51495 HEM C2B C2B C2B C2B . C . . N 0 . . . 1 N N . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 51495 HEM C3B C3B C3B C3B . C . . N 0 . . . 1 N N . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 51495 HEM C4B C4B C4B C4B . C . . N 0 . . . 1 N N . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 51495 HEM CMB CMB CMB CMB . C . . N 0 . . . 1 N N . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 51495 HEM CAB CAB CAB CAB . C . . N 0 . . . 1 N N . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 51495 HEM CBB CBB CBB CBB . C . . N 0 . . . 1 N N . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 51495 HEM C1C C1C C1C C1C . C . . N 0 . . . 1 Y N . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 51495 HEM C2C C2C C2C C2C . C . . N 0 . . . 1 Y N . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 51495 HEM C3C C3C C3C C3C . C . . N 0 . . . 1 Y N . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 51495 HEM C4C C4C C4C C4C . C . . N 0 . . . 1 Y N . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 51495 HEM CMC CMC CMC CMC . C . . N 0 . . . 1 N N . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 51495 HEM CAC CAC CAC CAC . C . . N 0 . . . 1 N N . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 51495 HEM CBC CBC CBC CBC . C . . N 0 . . . 1 N N . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 51495 HEM C1D C1D C1D C1D . C . . N 0 . . . 1 N N . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 51495 HEM C2D C2D C2D C2D . C . . N 0 . . . 1 N N . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 51495 HEM C3D C3D C3D C3D . C . . N 0 . . . 1 N N . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 51495 HEM C4D C4D C4D C4D . C . . N 0 . . . 1 N N . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 51495 HEM CMD CMD CMD CMD . C . . N 0 . . . 1 N N . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 51495 HEM CAD CAD CAD CAD . C . . N 0 . . . 1 N N . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 51495 HEM CBD CBD CBD CBD . C . . N 0 . . . 1 N N . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 51495 HEM CGD CGD CGD CGD . C . . N 0 . . . 1 N N . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 51495 HEM O1D O1D O1D O1D . O . . N 0 . . . 1 N N . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 51495 HEM O2D O2D O2D O2D . O . . N 0 . . . 1 N N . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 51495 HEM NA NA NA NA . N . . N 0 . . . 1 Y N . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 51495 HEM NB NB NB NB . N . . N 0 . . . 1 N N . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 51495 HEM NC NC NC NC . N . . N 0 . . . 1 Y N . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 51495 HEM ND ND ND ND . N . . N 0 . . . 1 N N . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 51495 HEM FE FE FE FE . FE . . N 0 . . . 0 N N . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 51495 HEM HHB HHB HHB HHB . H . . N 0 . . . 1 N N . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 51495 HEM HHC HHC HHC HHC . H . . N 0 . . . 1 N N . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 51495 HEM HHD HHD HHD HHD . H . . N 0 . . . 1 N N . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 51495 HEM HMA HMA HMA HMA . H . . N 0 . . . 1 N N . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 51495 HEM HMAA HMAA HMAA HMAA . H . . N 0 . . . 0 N N . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 51495 HEM HMAB HMAB HMAB HMAB . H . . N 0 . . . 0 N N . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 51495 HEM HAA HAA HAA HAA . H . . N 0 . . . 1 N N . . . . 3.905 . -15.575 . 40.197 . -3.662 -3.862 0.782 50 . 51495 HEM HAAA HAAA HAAA HAAA . H . . N 0 . . . 0 N N . . . . 3.268 . -16.991 . 41.102 . -4.024 -2.121 0.869 51 . 51495 HEM HBA HBA HBA HBA . H . . N 0 . . . 1 N N . . . . 5.368 . -18.237 . 40.627 . -3.825 -1.956 -1.597 52 . 51495 HEM HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 N N . . . . 6.004 . -16.819 . 39.725 . -3.464 -3.697 -1.684 53 . 51495 HEM HMB HMB HMB HMB . H . . N 0 . . . 1 N N . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 51495 HEM HMBA HMBA HMBA HMBA . H . . N 0 . . . 0 N N . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 51495 HEM HMBB HMBB HMBB HMBB . H . . N 0 . . . 0 N N . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 51495 HEM HAB HAB HAB HAB . H . . N 0 . . . 1 N N . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 51495 HEM HBB HBB HBB HBB . H . . N 0 . . . 1 N N . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 51495 HEM HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 N N . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 51495 HEM HMC HMC HMC HMC . H . . N 0 . . . 1 N N . . . . 0.153 . -25.793 . 33.346 . 6.554 1.949 -0.639 60 . 51495 HEM HMCA HMCA HMCA HMCA . H . . N 0 . . . 0 N N . . . . -0.196 . -24.182 . 32.634 . 6.110 3.316 -1.689 61 . 51495 HEM HMCB HMCB HMCB HMCB . H . . N 0 . . . 0 N N . . . . 1.472 . -24.846 . 32.578 . 6.362 3.578 0.053 62 . 51495 HEM HAC HAC HAC HAC . H . . N 0 . . . 1 N N . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 51495 HEM HBC HBC HBC HBC . H . . N 0 . . . 1 N N . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 51495 HEM HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 N N . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 51495 HEM HMD HMD HMD HMD . H . . N 0 . . . 1 N N . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 51495 HEM HMDA HMDA HMDA HMDA . H . . N 0 . . . 0 N N . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 51495 HEM HMDB HMDB HMDB HMDB . H . . N 0 . . . 0 N N . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 51495 HEM HAD HAD HAD HAD . H . . N 0 . . . 1 N N . . . . 2.055 . -22.216 . 42.999 . -4.052 1.687 1.738 69 . 51495 HEM HADA HADA HADA HADA . H . . N 0 . . . 0 N N . . . . 2.943 . -20.719 . 42.554 . -3.893 3.459 1.677 70 . 51495 HEM HBD HBD HBD HBD . H . . N 0 . . . 1 N N . . . . 0.767 . -19.646 . 41.835 . -4.262 3.408 -0.775 71 . 51495 HEM HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 N N . . . . -0.119 . -21.141 . 42.290 . -4.421 1.636 -0.714 72 . 51495 HEM H2A H2A H2A H2A . H . . N 0 . . . 1 N N . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 51495 HEM H2D H2D H2D H2D . H . . N 0 . . . 1 N N . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 51495 HEM HHA HHA HHA HHA . H . . N 0 . . . 1 N N . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 51495 HEM 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 CHA C1A N N 1 . 51495 HEM 2 . DOUB CHA C4D N N 2 . 51495 HEM 3 . SING CHA HHA N N 3 . 51495 HEM 4 . SING CHB C4A N N 4 . 51495 HEM 5 . DOUB CHB C1B N N 5 . 51495 HEM 6 . SING CHB HHB N N 6 . 51495 HEM 7 . SING CHC C4B N N 7 . 51495 HEM 8 . DOUB CHC C1C N N 8 . 51495 HEM 9 . SING CHC HHC N N 9 . 51495 HEM 10 . DOUB CHD C4C N N 10 . 51495 HEM 11 . SING CHD C1D N N 11 . 51495 HEM 12 . SING CHD HHD N N 12 . 51495 HEM 13 . DOUB C1A C2A Y N 13 . 51495 HEM 14 . SING C1A NA Y N 14 . 51495 HEM 15 . SING C2A C3A Y N 15 . 51495 HEM 16 . SING C2A CAA N N 16 . 51495 HEM 17 . DOUB C3A C4A Y N 17 . 51495 HEM 18 . SING C3A CMA N N 18 . 51495 HEM 19 . SING C4A NA Y N 19 . 51495 HEM 20 . SING CMA HMA N N 20 . 51495 HEM 21 . SING CMA HMAA N N 21 . 51495 HEM 22 . SING CMA HMAB N N 22 . 51495 HEM 23 . SING CAA CBA N N 23 . 51495 HEM 24 . SING CAA HAA N N 24 . 51495 HEM 25 . SING CAA HAAA N N 25 . 51495 HEM 26 . SING CBA CGA N N 26 . 51495 HEM 27 . SING CBA HBA N N 27 . 51495 HEM 28 . SING CBA HBAA N N 28 . 51495 HEM 29 . DOUB CGA O1A N N 29 . 51495 HEM 30 . SING CGA O2A N N 30 . 51495 HEM 31 . SING C1B C2B N N 31 . 51495 HEM 32 . SING C1B NB N N 32 . 51495 HEM 33 . DOUB C2B C3B N N 33 . 51495 HEM 34 . SING C2B CMB N N 34 . 51495 HEM 35 . SING C3B C4B N N 35 . 51495 HEM 36 . SING C3B CAB N N 36 . 51495 HEM 37 . DOUB C4B NB N N 37 . 51495 HEM 38 . SING CMB HMB N N 38 . 51495 HEM 39 . SING CMB HMBA N N 39 . 51495 HEM 40 . SING CMB HMBB N N 40 . 51495 HEM 41 . DOUB CAB CBB N N 41 . 51495 HEM 42 . SING CAB HAB N N 42 . 51495 HEM 43 . SING CBB HBB N N 43 . 51495 HEM 44 . SING CBB HBBA N N 44 . 51495 HEM 45 . SING C1C C2C Y N 45 . 51495 HEM 46 . SING C1C NC Y N 46 . 51495 HEM 47 . DOUB C2C C3C Y N 47 . 51495 HEM 48 . SING C2C CMC N N 48 . 51495 HEM 49 . SING C3C C4C Y N 49 . 51495 HEM 50 . SING C3C CAC N N 50 . 51495 HEM 51 . SING C4C NC Y N 51 . 51495 HEM 52 . SING CMC HMC N N 52 . 51495 HEM 53 . SING CMC HMCA N N 53 . 51495 HEM 54 . SING CMC HMCB N N 54 . 51495 HEM 55 . DOUB CAC CBC N N 55 . 51495 HEM 56 . SING CAC HAC N N 56 . 51495 HEM 57 . SING CBC HBC N N 57 . 51495 HEM 58 . SING CBC HBCA N N 58 . 51495 HEM 59 . SING C1D C2D N N 59 . 51495 HEM 60 . DOUB C1D ND N N 60 . 51495 HEM 61 . DOUB C2D C3D N N 61 . 51495 HEM 62 . SING C2D CMD N N 62 . 51495 HEM 63 . SING C3D C4D N N 63 . 51495 HEM 64 . SING C3D CAD N N 64 . 51495 HEM 65 . SING C4D ND N N 65 . 51495 HEM 66 . SING CMD HMD N N 66 . 51495 HEM 67 . SING CMD HMDA N N 67 . 51495 HEM 68 . SING CMD HMDB N N 68 . 51495 HEM 69 . SING CAD CBD N N 69 . 51495 HEM 70 . SING CAD HAD N N 70 . 51495 HEM 71 . SING CAD HADA N N 71 . 51495 HEM 72 . SING CBD CGD N N 72 . 51495 HEM 73 . SING CBD HBD N N 73 . 51495 HEM 74 . SING CBD HBDA N N 74 . 51495 HEM 75 . DOUB CGD O1D N N 75 . 51495 HEM 76 . SING CGD O2D N N 76 . 51495 HEM 77 . SING O2A H2A N N 77 . 51495 HEM 78 . SING O2D H2D N N 78 . 51495 HEM 79 . SING FE NA N N 79 . 51495 HEM 80 . SING FE NB N N 80 . 51495 HEM 81 . SING FE NC N N 81 . 51495 HEM 82 . SING FE ND N N 82 . 51495 HEM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51495 _Sample.ID 1 _Sample.Name '15N-1H Npun H-NOX' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Nostoc punctiforme H-NOX domain' '[U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 51495 1 2 'PROTOPORPHYRIN IX CONTAINING Fe' 'natural abundance' . . 2 $entity_HEM . . 1 . . mM . . . . 51495 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51495 _Sample.ID 2 _Sample.Name '15N-13C-1H Npun H-NOX' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Nostoc punctiforme H-NOX domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 51495 2 2 'PROTOPORPHYRIN IX CONTAINING Fe' 'natural abundance' . . 2 $entity_HEM . . 1 . . mM . . . . 51495 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 51495 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 51495 1 pH 7 . pH 51495 1 pressure 1 . atm 51495 1 temperature 298 . K 51495 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51495 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51495 1 processing . 51495 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51495 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51495 2 'data analysis' . 51495 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51495 _Software.ID 3 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51495 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51495 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III High Definition four-channel 700MHz' _NMR_spectrometer.Details 'equipped with a cryogenically cooled 5mm 1H/13C/15N/D Z-gradient probe (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51495 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 2 '3D HNCO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 5 '3D CBCANH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 6 '3D HBHA(CO)NH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 7 '3D CCH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 8 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 9 '3D HNHA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 10 '3D 1H-15N NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 11 '3D 1H-13C NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 12 '2D 1H-13C HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51495 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51495 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name IUPAC _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 0.00 na indirect 0.251449530 . . . . . 51495 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51495 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51495 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51495 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Npun H-NOX' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 51495 1 2 '3D HNCO' . . . 51495 1 3 '3D HN(CA)CO' . . . 51495 1 4 '3D CBCA(CO)NH' . . . 51495 1 5 '3D CBCANH' . . . 51495 1 6 '3D HBHA(CO)NH' . . . 51495 1 7 '3D CCH-TOCSY' . . . 51495 1 8 '3D HNCA' . . . 51495 1 9 '3D HNHA' . . . 51495 1 10 '3D 1H-15N NOESY' . . . 51495 1 11 '3D 1H-13C NOESY' . . . 51495 1 12 '2D 1H-13C HSQC' . . . 51495 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 2 $software_2 . . 51495 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 5 5 VAL HA H 1 2.925 0.020 . 1 . . . . . 5 VAL HA . 51495 1 2 . 1 . 1 5 5 VAL C C 13 178.778 0.3 . 1 . . . . . 5 VAL C . 51495 1 3 . 1 . 1 5 5 VAL CA C 13 70.720 0.3 . 1 . . . . . 5 VAL CA . 51495 1 4 . 1 . 1 6 6 ASN H H 1 8.686 0.020 . 1 . . . . . 6 ASN H . 51495 1 5 . 1 . 1 6 6 ASN HA H 1 4.191 0.020 . 1 . . . . . 6 ASN HA . 51495 1 6 . 1 . 1 6 6 ASN HB2 H 1 2.220 0.020 . 2 . . . . . 6 ASN HB2 . 51495 1 7 . 1 . 1 6 6 ASN HB3 H 1 2.135 0.020 . 2 . . . . . 6 ASN HB3 . 51495 1 8 . 1 . 1 6 6 ASN C C 13 177.480 0.3 . 1 . . . . . 6 ASN C . 51495 1 9 . 1 . 1 6 6 ASN CA C 13 56.347 0.3 . 1 . . . . . 6 ASN CA . 51495 1 10 . 1 . 1 6 6 ASN CB C 13 36.480 0.3 . 1 . . . . . 6 ASN CB . 51495 1 11 . 1 . 1 6 6 ASN N N 15 117.726 0.3 . 1 . . . . . 6 ASN N . 51495 1 12 . 1 . 1 7 7 LYS H H 1 9.971 0.020 . 1 . . . . . 7 LYS H . 51495 1 13 . 1 . 1 7 7 LYS HA H 1 4.438 0.020 . 1 . . . . . 7 LYS HA . 51495 1 14 . 1 . 1 7 7 LYS HB2 H 1 1.698 0.020 . 1 . . . . . 7 LYS HB2 . 51495 1 15 . 1 . 1 7 7 LYS HB3 H 1 1.698 0.020 . 1 . . . . . 7 LYS HB3 . 51495 1 16 . 1 . 1 7 7 LYS HG2 H 1 2.077 0.020 . 2 . . . . . 7 LYS HG2 . 51495 1 17 . 1 . 1 7 7 LYS HG3 H 1 2.027 0.020 . 2 . . . . . 7 LYS HG3 . 51495 1 18 . 1 . 1 7 7 LYS HD2 H 1 1.520 0.020 . 1 . . . . . 7 LYS HD2 . 51495 1 19 . 1 . 1 7 7 LYS HD3 H 1 1.520 0.020 . 1 . . . . . 7 LYS HD3 . 51495 1 20 . 1 . 1 7 7 LYS HE2 H 1 3.477 0.020 . 1 . . . . . 7 LYS HE2 . 51495 1 21 . 1 . 1 7 7 LYS HE3 H 1 3.477 0.020 . 1 . . . . . 7 LYS HE3 . 51495 1 22 . 1 . 1 7 7 LYS C C 13 178.401 0.3 . 1 . . . . . 7 LYS C . 51495 1 23 . 1 . 1 7 7 LYS CA C 13 59.958 0.3 . 1 . . . . . 7 LYS CA . 51495 1 24 . 1 . 1 7 7 LYS CB C 13 33.436 0.3 . 1 . . . . . 7 LYS CB . 51495 1 25 . 1 . 1 7 7 LYS CG C 13 25.335 0.3 . 1 . . . . . 7 LYS CG . 51495 1 26 . 1 . 1 7 7 LYS CD C 13 29.091 0.3 . 1 . . . . . 7 LYS CD . 51495 1 27 . 1 . 1 7 7 LYS CE C 13 41.902 0.3 . 1 . . . . . 7 LYS CE . 51495 1 28 . 1 . 1 7 7 LYS N N 15 121.787 0.3 . 1 . . . . . 7 LYS N . 51495 1 29 . 1 . 1 8 8 ALA H H 1 8.819 0.020 . 1 . . . . . 8 ALA H . 51495 1 30 . 1 . 1 8 8 ALA HA H 1 4.102 0.020 . 1 . . . . . 8 ALA HA . 51495 1 31 . 1 . 1 8 8 ALA HB1 H 1 1.569 0.020 . 1 . . . . . 8 ALA HB . 51495 1 32 . 1 . 1 8 8 ALA HB2 H 1 1.569 0.020 . 1 . . . . . 8 ALA HB . 51495 1 33 . 1 . 1 8 8 ALA HB3 H 1 1.569 0.020 . 1 . . . . . 8 ALA HB . 51495 1 34 . 1 . 1 8 8 ALA C C 13 179.283 0.3 . 1 . . . . . 8 ALA C . 51495 1 35 . 1 . 1 8 8 ALA CA C 13 55.004 0.3 . 1 . . . . . 8 ALA CA . 51495 1 36 . 1 . 1 8 8 ALA CB C 13 20.022 0.3 . 1 . . . . . 8 ALA CB . 51495 1 37 . 1 . 1 8 8 ALA N N 15 122.156 0.3 . 1 . . . . . 8 ALA N . 51495 1 38 . 1 . 1 9 9 ILE H H 1 8.098 0.020 . 1 . . . . . 9 ILE H . 51495 1 39 . 1 . 1 9 9 ILE HA H 1 3.264 0.020 . 1 . . . . . 9 ILE HA . 51495 1 40 . 1 . 1 9 9 ILE HB H 1 1.920 0.020 . 1 . . . . . 9 ILE HB . 51495 1 41 . 1 . 1 9 9 ILE HG12 H 1 -0.111 0.020 . 2 . . . . . 9 ILE HG12 . 51495 1 42 . 1 . 1 9 9 ILE HG13 H 1 -0.146 0.020 . 2 . . . . . 9 ILE HG13 . 51495 1 43 . 1 . 1 9 9 ILE HG21 H 1 0.896 0.020 . 1 . . . . . 9 ILE HG2 . 51495 1 44 . 1 . 1 9 9 ILE HG22 H 1 0.896 0.020 . 1 . . . . . 9 ILE HG2 . 51495 1 45 . 1 . 1 9 9 ILE HG23 H 1 0.896 0.020 . 1 . . . . . 9 ILE HG2 . 51495 1 46 . 1 . 1 9 9 ILE HD11 H 1 0.879 0.020 . 1 . . . . . 9 ILE HD1 . 51495 1 47 . 1 . 1 9 9 ILE HD12 H 1 0.879 0.020 . 1 . . . . . 9 ILE HD1 . 51495 1 48 . 1 . 1 9 9 ILE HD13 H 1 0.879 0.020 . 1 . . . . . 9 ILE HD1 . 51495 1 49 . 1 . 1 9 9 ILE C C 13 176.923 0.3 . 1 . . . . . 9 ILE C . 51495 1 50 . 1 . 1 9 9 ILE CA C 13 66.686 0.3 . 1 . . . . . 9 ILE CA . 51495 1 51 . 1 . 1 9 9 ILE CB C 13 37.207 0.3 . 1 . . . . . 9 ILE CB . 51495 1 52 . 1 . 1 9 9 ILE CG1 C 13 29.528 0.3 . 1 . . . . . 9 ILE CG1 . 51495 1 53 . 1 . 1 9 9 ILE CG2 C 13 16.111 0.3 . 1 . . . . . 9 ILE CG2 . 51495 1 54 . 1 . 1 9 9 ILE CD1 C 13 13.777 0.3 . 1 . . . . . 9 ILE CD1 . 51495 1 55 . 1 . 1 9 9 ILE N N 15 120.115 0.3 . 1 . . . . . 9 ILE N . 51495 1 56 . 1 . 1 10 10 GLN H H 1 8.069 0.020 . 1 . . . . . 10 GLN H . 51495 1 57 . 1 . 1 10 10 GLN HA H 1 4.120 0.020 . 1 . . . . . 10 GLN HA . 51495 1 58 . 1 . 1 10 10 GLN HB2 H 1 2.139 0.020 . 2 . . . . . 10 GLN HB2 . 51495 1 59 . 1 . 1 10 10 GLN HB3 H 1 2.106 0.020 . 2 . . . . . 10 GLN HB3 . 51495 1 60 . 1 . 1 10 10 GLN HG2 H 1 2.396 0.020 . 2 . . . . . 10 GLN HG2 . 51495 1 61 . 1 . 1 10 10 GLN HG3 H 1 2.358 0.020 . 2 . . . . . 10 GLN HG3 . 51495 1 62 . 1 . 1 10 10 GLN C C 13 178.075 0.3 . 1 . . . . . 10 GLN C . 51495 1 63 . 1 . 1 10 10 GLN CA C 13 58.974 0.3 . 1 . . . . . 10 GLN CA . 51495 1 64 . 1 . 1 10 10 GLN CB C 13 28.057 0.3 . 1 . . . . . 10 GLN CB . 51495 1 65 . 1 . 1 10 10 GLN CG C 13 36.249 0.3 . 1 . . . . . 10 GLN CG . 51495 1 66 . 1 . 1 10 10 GLN N N 15 120.129 0.3 . 1 . . . . . 10 GLN N . 51495 1 67 . 1 . 1 11 11 ASP H H 1 8.674 0.020 . 1 . . . . . 11 ASP H . 51495 1 68 . 1 . 1 11 11 ASP HA H 1 4.329 0.020 . 1 . . . . . 11 ASP HA . 51495 1 69 . 1 . 1 11 11 ASP HB2 H 1 2.998 0.020 . 2 . . . . . 11 ASP HB2 . 51495 1 70 . 1 . 1 11 11 ASP HB3 H 1 2.875 0.020 . 2 . . . . . 11 ASP HB3 . 51495 1 71 . 1 . 1 11 11 ASP C C 13 179.311 0.3 . 1 . . . . . 11 ASP C . 51495 1 72 . 1 . 1 11 11 ASP CA C 13 57.500 0.3 . 1 . . . . . 11 ASP CA . 51495 1 73 . 1 . 1 11 11 ASP CB C 13 40.465 0.3 . 1 . . . . . 11 ASP CB . 51495 1 74 . 1 . 1 11 11 ASP N N 15 120.588 0.3 . 1 . . . . . 11 ASP N . 51495 1 75 . 1 . 1 12 12 MET H H 1 8.568 0.020 . 1 . . . . . 12 MET H . 51495 1 76 . 1 . 1 12 12 MET HA H 1 3.939 0.020 . 1 . . . . . 12 MET HA . 51495 1 77 . 1 . 1 12 12 MET HB2 H 1 1.910 0.020 . 2 . . . . . 12 MET HB2 . 51495 1 78 . 1 . 1 12 12 MET HB3 H 1 2.105 0.020 . 2 . . . . . 12 MET HB3 . 51495 1 79 . 1 . 1 12 12 MET HG2 H 1 2.280 0.020 . 2 . . . . . 12 MET HG2 . 51495 1 80 . 1 . 1 12 12 MET HG3 H 1 2.190 0.020 . 2 . . . . . 12 MET HG3 . 51495 1 81 . 1 . 1 12 12 MET C C 13 177.767 0.3 . 1 . . . . . 12 MET C . 51495 1 82 . 1 . 1 12 12 MET CA C 13 59.631 0.3 . 1 . . . . . 12 MET CA . 51495 1 83 . 1 . 1 12 12 MET CB C 13 31.558 0.3 . 1 . . . . . 12 MET CB . 51495 1 84 . 1 . 1 12 12 MET CG C 13 30.011 0.3 . 1 . . . . . 12 MET CG . 51495 1 85 . 1 . 1 12 12 MET N N 15 123.348 0.3 . 1 . . . . . 12 MET N . 51495 1 86 . 1 . 1 13 13 VAL H H 1 8.243 0.020 . 1 . . . . . 13 VAL H . 51495 1 87 . 1 . 1 13 13 VAL HA H 1 3.709 0.020 . 1 . . . . . 13 VAL HA . 51495 1 88 . 1 . 1 13 13 VAL HB H 1 2.374 0.020 . 1 . . . . . 13 VAL HB . 51495 1 89 . 1 . 1 13 13 VAL HG11 H 1 1.093 0.020 . 1 . . . . . 13 VAL HG1 . 51495 1 90 . 1 . 1 13 13 VAL HG12 H 1 1.093 0.020 . 1 . . . . . 13 VAL HG1 . 51495 1 91 . 1 . 1 13 13 VAL HG13 H 1 1.093 0.020 . 1 . . . . . 13 VAL HG1 . 51495 1 92 . 1 . 1 13 13 VAL HG21 H 1 1.048 0.020 . 1 . . . . . 13 VAL HG2 . 51495 1 93 . 1 . 1 13 13 VAL HG22 H 1 1.048 0.020 . 1 . . . . . 13 VAL HG2 . 51495 1 94 . 1 . 1 13 13 VAL HG23 H 1 1.048 0.020 . 1 . . . . . 13 VAL HG2 . 51495 1 95 . 1 . 1 13 13 VAL C C 13 178.893 0.3 . 1 . . . . . 13 VAL C . 51495 1 96 . 1 . 1 13 13 VAL CA C 13 66.658 0.3 . 1 . . . . . 13 VAL CA . 51495 1 97 . 1 . 1 13 13 VAL CB C 13 31.180 0.3 . 1 . . . . . 13 VAL CB . 51495 1 98 . 1 . 1 13 13 VAL CG1 C 13 21.263 0.3 . 1 . . . . . 13 VAL CG1 . 51495 1 99 . 1 . 1 13 13 VAL CG2 C 13 22.193 0.3 . 1 . . . . . 13 VAL CG2 . 51495 1 100 . 1 . 1 13 13 VAL N N 15 116.754 0.3 . 1 . . . . . 13 VAL N . 51495 1 101 . 1 . 1 14 14 CYS H H 1 9.070 0.020 . 1 . . . . . 14 CYS H . 51495 1 102 . 1 . 1 14 14 CYS HA H 1 3.793 0.020 . 1 . . . . . 14 CYS HA . 51495 1 103 . 1 . 1 14 14 CYS HB2 H 1 3.034 0.020 . 2 . . . . . 14 CYS HB2 . 51495 1 104 . 1 . 1 14 14 CYS HB3 H 1 2.806 0.020 . 2 . . . . . 14 CYS HB3 . 51495 1 105 . 1 . 1 14 14 CYS C C 13 177.067 0.3 . 1 . . . . . 14 CYS C . 51495 1 106 . 1 . 1 14 14 CYS CA C 13 65.204 0.3 . 1 . . . . . 14 CYS CA . 51495 1 107 . 1 . 1 14 14 CYS CB C 13 26.956 0.3 . 1 . . . . . 14 CYS CB . 51495 1 108 . 1 . 1 14 14 CYS N N 15 118.042 0.3 . 1 . . . . . 14 CYS N . 51495 1 109 . 1 . 1 15 15 SER H H 1 8.008 0.020 . 1 . . . . . 15 SER H . 51495 1 110 . 1 . 1 15 15 SER HA H 1 4.053 0.020 . 1 . . . . . 15 SER HA . 51495 1 111 . 1 . 1 15 15 SER HB2 H 1 4.009 0.020 . 2 . . . . . 15 SER HB2 . 51495 1 112 . 1 . 1 15 15 SER HB3 H 1 3.903 0.020 . 2 . . . . . 15 SER HB3 . 51495 1 113 . 1 . 1 15 15 SER CA C 13 61.106 0.3 . 1 . . . . . 15 SER CA . 51495 1 114 . 1 . 1 15 15 SER CB C 13 62.984 0.3 . 1 . . . . . 15 SER CB . 51495 1 115 . 1 . 1 15 15 SER N N 15 112.589 0.3 . 1 . . . . . 15 SER N . 51495 1 116 . 1 . 1 16 16 ARG H H 1 7.420 0.020 . 1 . . . . . 16 ARG H . 51495 1 117 . 1 . 1 16 16 ARG HA H 1 3.989 0.020 . 1 . . . . . 16 ARG HA . 51495 1 118 . 1 . 1 16 16 ARG HB2 H 1 1.252 0.020 . 2 . . . . . 16 ARG HB2 . 51495 1 119 . 1 . 1 16 16 ARG HB3 H 1 0.833 0.020 . 2 . . . . . 16 ARG HB3 . 51495 1 120 . 1 . 1 16 16 ARG HG2 H 1 1.221 0.020 . 2 . . . . . 16 ARG HG2 . 51495 1 121 . 1 . 1 16 16 ARG HG3 H 1 0.886 0.020 . 2 . . . . . 16 ARG HG3 . 51495 1 122 . 1 . 1 16 16 ARG HD2 H 1 2.658 0.020 . 2 . . . . . 16 ARG HD2 . 51495 1 123 . 1 . 1 16 16 ARG HD3 H 1 2.608 0.020 . 2 . . . . . 16 ARG HD3 . 51495 1 124 . 1 . 1 16 16 ARG C C 13 176.853 0.3 . 1 . . . . . 16 ARG C . 51495 1 125 . 1 . 1 16 16 ARG CA C 13 57.822 0.3 . 1 . . . . . 16 ARG CA . 51495 1 126 . 1 . 1 16 16 ARG CB C 13 30.898 0.3 . 1 . . . . . 16 ARG CB . 51495 1 127 . 1 . 1 16 16 ARG CG C 13 26.893 0.3 . 1 . . . . . 16 ARG CG . 51495 1 128 . 1 . 1 16 16 ARG CD C 13 42.816 0.3 . 1 . . . . . 16 ARG CD . 51495 1 129 . 1 . 1 16 16 ARG N N 15 118.854 0.3 . 1 . . . . . 16 ARG N . 51495 1 130 . 1 . 1 17 17 PHE H H 1 8.507 0.020 . 1 . . . . . 17 PHE H . 51495 1 131 . 1 . 1 17 17 PHE HA H 1 4.902 0.020 . 1 . . . . . 17 PHE HA . 51495 1 132 . 1 . 1 17 17 PHE HB2 H 1 3.466 0.020 . 2 . . . . . 17 PHE HB2 . 51495 1 133 . 1 . 1 17 17 PHE HB3 H 1 3.099 0.020 . 2 . . . . . 17 PHE HB3 . 51495 1 134 . 1 . 1 17 17 PHE C C 13 176.361 0.3 . 1 . . . . . 17 PHE C . 51495 1 135 . 1 . 1 17 17 PHE CA C 13 57.864 0.3 . 1 . . . . . 17 PHE CA . 51495 1 136 . 1 . 1 17 17 PHE CB C 13 40.675 0.3 . 1 . . . . . 17 PHE CB . 51495 1 137 . 1 . 1 17 17 PHE N N 15 114.862 0.3 . 1 . . . . . 17 PHE N . 51495 1 138 . 1 . 1 18 18 GLY H H 1 7.625 0.020 . 1 . . . . . 18 GLY H . 51495 1 139 . 1 . 1 18 18 GLY HA2 H 1 4.744 0.020 . 2 . . . . . 18 GLY HA2 . 51495 1 140 . 1 . 1 18 18 GLY HA3 H 1 4.189 0.020 . 2 . . . . . 18 GLY HA3 . 51495 1 141 . 1 . 1 18 18 GLY C C 13 174.252 0.3 . 1 . . . . . 18 GLY C . 51495 1 142 . 1 . 1 18 18 GLY CA C 13 44.700 0.3 . 1 . . . . . 18 GLY CA . 51495 1 143 . 1 . 1 18 18 GLY N N 15 109.791 0.3 . 1 . . . . . 18 GLY N . 51495 1 144 . 1 . 1 19 19 GLU H H 1 8.865 0.020 . 1 . . . . . 19 GLU H . 51495 1 145 . 1 . 1 19 19 GLU HA H 1 4.436 0.020 . 1 . . . . . 19 GLU HA . 51495 1 146 . 1 . 1 19 19 GLU HB2 H 1 2.311 0.020 . 2 . . . . . 19 GLU HB2 . 51495 1 147 . 1 . 1 19 19 GLU HB3 H 1 2.232 0.020 . 2 . . . . . 19 GLU HB3 . 51495 1 148 . 1 . 1 19 19 GLU HG2 H 1 2.534 0.020 . 2 . . . . . 19 GLU HG2 . 51495 1 149 . 1 . 1 19 19 GLU HG3 H 1 2.372 0.020 . 2 . . . . . 19 GLU HG3 . 51495 1 150 . 1 . 1 19 19 GLU C C 13 178.963 0.3 . 1 . . . . . 19 GLU C . 51495 1 151 . 1 . 1 19 19 GLU CA C 13 59.640 0.3 . 1 . . . . . 19 GLU CA . 51495 1 152 . 1 . 1 19 19 GLU CB C 13 29.761 0.3 . 1 . . . . . 19 GLU CB . 51495 1 153 . 1 . 1 19 19 GLU CG C 13 36.574 0.3 . 1 . . . . . 19 GLU CG . 51495 1 154 . 1 . 1 19 19 GLU N N 15 121.549 0.3 . 1 . . . . . 19 GLU N . 51495 1 155 . 1 . 1 20 20 GLU H H 1 8.996 0.020 . 1 . . . . . 20 GLU H . 51495 1 156 . 1 . 1 20 20 GLU HA H 1 4.120 0.020 . 1 . . . . . 20 GLU HA . 51495 1 157 . 1 . 1 20 20 GLU HB2 H 1 2.171 0.020 . 2 . . . . . 20 GLU HB2 . 51495 1 158 . 1 . 1 20 20 GLU HB3 H 1 2.067 0.020 . 2 . . . . . 20 GLU HB3 . 51495 1 159 . 1 . 1 20 20 GLU HG2 H 1 2.402 0.020 . 2 . . . . . 20 GLU HG2 . 51495 1 160 . 1 . 1 20 20 GLU HG3 H 1 2.386 0.020 . 2 . . . . . 20 GLU HG3 . 51495 1 161 . 1 . 1 20 20 GLU C C 13 179.282 0.3 . 1 . . . . . 20 GLU C . 51495 1 162 . 1 . 1 20 20 GLU CA C 13 59.789 0.3 . 1 . . . . . 20 GLU CA . 51495 1 163 . 1 . 1 20 20 GLU CB C 13 28.359 0.3 . 1 . . . . . 20 GLU CB . 51495 1 164 . 1 . 1 20 20 GLU CG C 13 35.936 0.3 . 1 . . . . . 20 GLU CG . 51495 1 165 . 1 . 1 20 20 GLU N N 15 120.154 0.3 . 1 . . . . . 20 GLU N . 51495 1 166 . 1 . 1 21 21 THR H H 1 7.738 0.020 . 1 . . . . . 21 THR H . 51495 1 167 . 1 . 1 21 21 THR HA H 1 4.311 0.020 . 1 . . . . . 21 THR HA . 51495 1 168 . 1 . 1 21 21 THR HB H 1 4.023 0.020 . 1 . . . . . 21 THR HB . 51495 1 169 . 1 . 1 21 21 THR HG21 H 1 1.769 0.020 . 1 . . . . . 21 THR HG2 . 51495 1 170 . 1 . 1 21 21 THR HG22 H 1 1.769 0.020 . 1 . . . . . 21 THR HG2 . 51495 1 171 . 1 . 1 21 21 THR HG23 H 1 1.769 0.020 . 1 . . . . . 21 THR HG2 . 51495 1 172 . 1 . 1 21 21 THR CA C 13 67.824 0.3 . 1 . . . . . 21 THR CA . 51495 1 173 . 1 . 1 21 21 THR CB C 13 69.686 0.3 . 1 . . . . . 21 THR CB . 51495 1 174 . 1 . 1 21 21 THR CG2 C 13 22.210 0.3 . 1 . . . . . 21 THR CG2 . 51495 1 175 . 1 . 1 21 21 THR N N 15 117.711 0.3 . 1 . . . . . 21 THR N . 51495 1 176 . 1 . 1 22 22 TRP H H 1 7.622 0.020 . 1 . . . . . 22 TRP H . 51495 1 177 . 1 . 1 22 22 TRP HA H 1 4.591 0.020 . 1 . . . . . 22 TRP HA . 51495 1 178 . 1 . 1 22 22 TRP HB2 H 1 3.590 0.020 . 2 . . . . . 22 TRP HB2 . 51495 1 179 . 1 . 1 22 22 TRP HB3 H 1 3.404 0.020 . 2 . . . . . 22 TRP HB3 . 51495 1 180 . 1 . 1 22 22 TRP C C 13 176.288 0.3 . 1 . . . . . 22 TRP C . 51495 1 181 . 1 . 1 22 22 TRP CA C 13 59.954 0.3 . 1 . . . . . 22 TRP CA . 51495 1 182 . 1 . 1 22 22 TRP CB C 13 30.891 0.3 . 1 . . . . . 22 TRP CB . 51495 1 183 . 1 . 1 22 22 TRP N N 15 121.337 0.3 . 1 . . . . . 22 TRP N . 51495 1 184 . 1 . 1 23 23 LYS H H 1 8.348 0.020 . 1 . . . . . 23 LYS H . 51495 1 185 . 1 . 1 23 23 LYS HA H 1 3.497 0.020 . 1 . . . . . 23 LYS HA . 51495 1 186 . 1 . 1 23 23 LYS HB2 H 1 2.044 0.020 . 2 . . . . . 23 LYS HB2 . 51495 1 187 . 1 . 1 23 23 LYS HB3 H 1 1.881 0.020 . 2 . . . . . 23 LYS HB3 . 51495 1 188 . 1 . 1 23 23 LYS HG2 H 1 1.760 0.020 . 2 . . . . . 23 LYS HG2 . 51495 1 189 . 1 . 1 23 23 LYS HG3 H 1 1.418 0.020 . 2 . . . . . 23 LYS HG3 . 51495 1 190 . 1 . 1 23 23 LYS HD2 H 1 1.771 0.020 . 2 . . . . . 23 LYS HD2 . 51495 1 191 . 1 . 1 23 23 LYS HD3 H 1 1.521 0.020 . 2 . . . . . 23 LYS HD3 . 51495 1 192 . 1 . 1 23 23 LYS HE2 H 1 2.994 0.020 . 2 . . . . . 23 LYS HE2 . 51495 1 193 . 1 . 1 23 23 LYS HE3 H 1 2.844 0.020 . 2 . . . . . 23 LYS HE3 . 51495 1 194 . 1 . 1 23 23 LYS C C 13 179.456 0.3 . 1 . . . . . 23 LYS C . 51495 1 195 . 1 . 1 23 23 LYS CA C 13 60.452 0.3 . 1 . . . . . 23 LYS CA . 51495 1 196 . 1 . 1 23 23 LYS CB C 13 31.757 0.3 . 1 . . . . . 23 LYS CB . 51495 1 197 . 1 . 1 23 23 LYS CG C 13 25.301 0.3 . 1 . . . . . 23 LYS CG . 51495 1 198 . 1 . 1 23 23 LYS CD C 13 29.032 0.3 . 1 . . . . . 23 LYS CD . 51495 1 199 . 1 . 1 23 23 LYS CE C 13 41.891 0.3 . 1 . . . . . 23 LYS CE . 51495 1 200 . 1 . 1 23 23 LYS N N 15 117.902 0.3 . 1 . . . . . 23 LYS N . 51495 1 201 . 1 . 1 24 24 GLN H H 1 7.654 0.020 . 1 . . . . . 24 GLN H . 51495 1 202 . 1 . 1 24 24 GLN HA H 1 4.022 0.020 . 1 . . . . . 24 GLN HA . 51495 1 203 . 1 . 1 24 24 GLN HB2 H 1 2.093 0.020 . 2 . . . . . 24 GLN HB2 . 51495 1 204 . 1 . 1 24 24 GLN HB3 H 1 2.028 0.020 . 2 . . . . . 24 GLN HB3 . 51495 1 205 . 1 . 1 24 24 GLN HG2 H 1 2.363 0.020 . 2 . . . . . 24 GLN HG2 . 51495 1 206 . 1 . 1 24 24 GLN HG3 H 1 2.288 0.020 . 2 . . . . . 24 GLN HG3 . 51495 1 207 . 1 . 1 24 24 GLN C C 13 179.387 0.3 . 1 . . . . . 24 GLN C . 51495 1 208 . 1 . 1 24 24 GLN CA C 13 58.970 0.3 . 1 . . . . . 24 GLN CA . 51495 1 209 . 1 . 1 24 24 GLN CB C 13 28.638 0.3 . 1 . . . . . 24 GLN CB . 51495 1 210 . 1 . 1 24 24 GLN CG C 13 35.960 0.3 . 1 . . . . . 24 GLN CG . 51495 1 211 . 1 . 1 24 24 GLN N N 15 117.593 0.3 . 1 . . . . . 24 GLN N . 51495 1 212 . 1 . 1 25 25 ILE H H 1 7.994 0.020 . 1 . . . . . 25 ILE H . 51495 1 213 . 1 . 1 25 25 ILE HA H 1 4.055 0.020 . 1 . . . . . 25 ILE HA . 51495 1 214 . 1 . 1 25 25 ILE HB H 1 2.764 0.020 . 1 . . . . . 25 ILE HB . 51495 1 215 . 1 . 1 25 25 ILE HG12 H 1 2.365 0.020 . 2 . . . . . 25 ILE HG12 . 51495 1 216 . 1 . 1 25 25 ILE HG13 H 1 1.967 0.020 . 2 . . . . . 25 ILE HG13 . 51495 1 217 . 1 . 1 25 25 ILE HG21 H 1 1.482 0.020 . 1 . . . . . 25 ILE HG2 . 51495 1 218 . 1 . 1 25 25 ILE HG22 H 1 1.482 0.020 . 1 . . . . . 25 ILE HG2 . 51495 1 219 . 1 . 1 25 25 ILE HG23 H 1 1.482 0.020 . 1 . . . . . 25 ILE HG2 . 51495 1 220 . 1 . 1 25 25 ILE HD11 H 1 1.609 0.020 . 1 . . . . . 25 ILE HD1 . 51495 1 221 . 1 . 1 25 25 ILE HD12 H 1 1.609 0.020 . 1 . . . . . 25 ILE HD1 . 51495 1 222 . 1 . 1 25 25 ILE HD13 H 1 1.609 0.020 . 1 . . . . . 25 ILE HD1 . 51495 1 223 . 1 . 1 25 25 ILE C C 13 176.432 0.3 . 1 . . . . . 25 ILE C . 51495 1 224 . 1 . 1 25 25 ILE CA C 13 65.870 0.3 . 1 . . . . . 25 ILE CA . 51495 1 225 . 1 . 1 25 25 ILE CB C 13 37.209 0.3 . 1 . . . . . 25 ILE CB . 51495 1 226 . 1 . 1 25 25 ILE CG1 C 13 29.730 0.3 . 1 . . . . . 25 ILE CG1 . 51495 1 227 . 1 . 1 25 25 ILE CG2 C 13 18.116 0.3 . 1 . . . . . 25 ILE CG2 . 51495 1 228 . 1 . 1 25 25 ILE CD1 C 13 13.191 0.3 . 1 . . . . . 25 ILE CD1 . 51495 1 229 . 1 . 1 25 25 ILE N N 15 122.751 0.3 . 1 . . . . . 25 ILE N . 51495 1 230 . 1 . 1 26 26 LYS H H 1 8.170 0.020 . 1 . . . . . 26 LYS H . 51495 1 231 . 1 . 1 26 26 LYS HA H 1 3.376 0.020 . 1 . . . . . 26 LYS HA . 51495 1 232 . 1 . 1 26 26 LYS HB2 H 1 1.535 0.020 . 1 . . . . . 26 LYS HB2 . 51495 1 233 . 1 . 1 26 26 LYS HB3 H 1 1.535 0.020 . 1 . . . . . 26 LYS HB3 . 51495 1 234 . 1 . 1 26 26 LYS HG2 H 1 1.080 0.020 . 2 . . . . . 26 LYS HG2 . 51495 1 235 . 1 . 1 26 26 LYS HG3 H 1 0.836 0.020 . 2 . . . . . 26 LYS HG3 . 51495 1 236 . 1 . 1 26 26 LYS HD2 H 1 1.767 0.020 . 2 . . . . . 26 LYS HD2 . 51495 1 237 . 1 . 1 26 26 LYS HD3 H 1 1.696 0.020 . 2 . . . . . 26 LYS HD3 . 51495 1 238 . 1 . 1 26 26 LYS HE2 H 1 3.020 0.020 . 2 . . . . . 26 LYS HE2 . 51495 1 239 . 1 . 1 26 26 LYS HE3 H 1 2.802 0.020 . 2 . . . . . 26 LYS HE3 . 51495 1 240 . 1 . 1 26 26 LYS C C 13 178.365 0.3 . 1 . . . . . 26 LYS C . 51495 1 241 . 1 . 1 26 26 LYS CA C 13 60.620 0.3 . 1 . . . . . 26 LYS CA . 51495 1 242 . 1 . 1 26 26 LYS CB C 13 31.515 0.3 . 1 . . . . . 26 LYS CB . 51495 1 243 . 1 . 1 26 26 LYS CG C 13 25.020 0.3 . 1 . . . . . 26 LYS CG . 51495 1 244 . 1 . 1 26 26 LYS CD C 13 29.707 0.3 . 1 . . . . . 26 LYS CD . 51495 1 245 . 1 . 1 26 26 LYS CE C 13 41.866 0.3 . 1 . . . . . 26 LYS CE . 51495 1 246 . 1 . 1 26 26 LYS N N 15 119.428 0.3 . 1 . . . . . 26 LYS N . 51495 1 247 . 1 . 1 27 27 HIS H H 1 7.716 0.020 . 1 . . . . . 27 HIS H . 51495 1 248 . 1 . 1 27 27 HIS HA H 1 4.444 0.020 . 1 . . . . . 27 HIS HA . 51495 1 249 . 1 . 1 27 27 HIS HB2 H 1 3.225 0.020 . 2 . . . . . 27 HIS HB2 . 51495 1 250 . 1 . 1 27 27 HIS HB3 H 1 3.207 0.020 . 2 . . . . . 27 HIS HB3 . 51495 1 251 . 1 . 1 27 27 HIS C C 13 178.935 0.3 . 1 . . . . . 27 HIS C . 51495 1 252 . 1 . 1 27 27 HIS CA C 13 58.801 0.3 . 1 . . . . . 27 HIS CA . 51495 1 253 . 1 . 1 27 27 HIS CB C 13 29.486 0.3 . 1 . . . . . 27 HIS CB . 51495 1 254 . 1 . 1 27 27 HIS N N 15 115.600 0.3 . 1 . . . . . 27 HIS N . 51495 1 255 . 1 . 1 28 28 LYS H H 1 8.109 0.020 . 1 . . . . . 28 LYS H . 51495 1 256 . 1 . 1 28 28 LYS HA H 1 4.131 0.020 . 1 . . . . . 28 LYS HA . 51495 1 257 . 1 . 1 28 28 LYS HB2 H 1 2.057 0.020 . 2 . . . . . 28 LYS HB2 . 51495 1 258 . 1 . 1 28 28 LYS HB3 H 1 1.968 0.020 . 2 . . . . . 28 LYS HB3 . 51495 1 259 . 1 . 1 28 28 LYS HG2 H 1 1.588 0.020 . 2 . . . . . 28 LYS HG2 . 51495 1 260 . 1 . 1 28 28 LYS HG3 H 1 1.490 0.020 . 2 . . . . . 28 LYS HG3 . 51495 1 261 . 1 . 1 28 28 LYS HD2 H 1 1.807 0.020 . 2 . . . . . 28 LYS HD2 . 51495 1 262 . 1 . 1 28 28 LYS HD3 H 1 1.772 0.020 . 2 . . . . . 28 LYS HD3 . 51495 1 263 . 1 . 1 28 28 LYS HE2 H 1 2.997 0.020 . 1 . . . . . 28 LYS HE2 . 51495 1 264 . 1 . 1 28 28 LYS HE3 H 1 2.997 0.020 . 1 . . . . . 28 LYS HE3 . 51495 1 265 . 1 . 1 28 28 LYS C C 13 177.485 0.3 . 1 . . . . . 28 LYS C . 51495 1 266 . 1 . 1 28 28 LYS CA C 13 57.825 0.3 . 1 . . . . . 28 LYS CA . 51495 1 267 . 1 . 1 28 28 LYS CB C 13 31.524 0.3 . 1 . . . . . 28 LYS CB . 51495 1 268 . 1 . 1 28 28 LYS CG C 13 24.075 0.3 . 1 . . . . . 28 LYS CG . 51495 1 269 . 1 . 1 28 28 LYS CD C 13 28.136 0.3 . 1 . . . . . 28 LYS CD . 51495 1 270 . 1 . 1 28 28 LYS CE C 13 41.773 0.3 . 1 . . . . . 28 LYS CE . 51495 1 271 . 1 . 1 28 28 LYS N N 15 121.814 0.3 . 1 . . . . . 28 LYS N . 51495 1 272 . 1 . 1 29 29 ALA H H 1 8.238 0.020 . 1 . . . . . 29 ALA H . 51495 1 273 . 1 . 1 29 29 ALA HA H 1 4.271 0.020 . 1 . . . . . 29 ALA HA . 51495 1 274 . 1 . 1 29 29 ALA HB1 H 1 1.441 0.020 . 1 . . . . . 29 ALA HB . 51495 1 275 . 1 . 1 29 29 ALA HB2 H 1 1.441 0.020 . 1 . . . . . 29 ALA HB . 51495 1 276 . 1 . 1 29 29 ALA HB3 H 1 1.441 0.020 . 1 . . . . . 29 ALA HB . 51495 1 277 . 1 . 1 29 29 ALA C C 13 175.483 0.3 . 1 . . . . . 29 ALA C . 51495 1 278 . 1 . 1 29 29 ALA CA C 13 52.514 0.3 . 1 . . . . . 29 ALA CA . 51495 1 279 . 1 . 1 29 29 ALA CB C 13 19.347 0.3 . 1 . . . . . 29 ALA CB . 51495 1 280 . 1 . 1 29 29 ALA N N 15 119.318 0.3 . 1 . . . . . 29 ALA N . 51495 1 281 . 1 . 1 30 30 GLU H H 1 7.631 0.020 . 1 . . . . . 30 GLU H . 51495 1 282 . 1 . 1 30 30 GLU HA H 1 3.871 0.020 . 1 . . . . . 30 GLU HA . 51495 1 283 . 1 . 1 30 30 GLU HB2 H 1 2.356 0.020 . 2 . . . . . 30 GLU HB2 . 51495 1 284 . 1 . 1 30 30 GLU HB3 H 1 2.329 0.020 . 2 . . . . . 30 GLU HB3 . 51495 1 285 . 1 . 1 30 30 GLU HG2 H 1 2.255 0.020 . 2 . . . . . 30 GLU HG2 . 51495 1 286 . 1 . 1 30 30 GLU HG3 H 1 2.161 0.020 . 2 . . . . . 30 GLU HG3 . 51495 1 287 . 1 . 1 30 30 GLU C C 13 175.586 0.3 . 1 . . . . . 30 GLU C . 51495 1 288 . 1 . 1 30 30 GLU CA C 13 57.007 0.3 . 1 . . . . . 30 GLU CA . 51495 1 289 . 1 . 1 30 30 GLU CB C 13 26.931 0.3 . 1 . . . . . 30 GLU CB . 51495 1 290 . 1 . 1 30 30 GLU CG C 13 36.569 0.3 . 1 . . . . . 30 GLU CG . 51495 1 291 . 1 . 1 30 30 GLU N N 15 112.782 0.3 . 1 . . . . . 30 GLU N . 51495 1 292 . 1 . 1 31 31 VAL H H 1 7.724 0.020 . 1 . . . . . 31 VAL H . 51495 1 293 . 1 . 1 31 31 VAL HA H 1 4.389 0.020 . 1 . . . . . 31 VAL HA . 51495 1 294 . 1 . 1 31 31 VAL HB H 1 2.091 0.020 . 1 . . . . . 31 VAL HB . 51495 1 295 . 1 . 1 31 31 VAL HG11 H 1 1.347 0.020 . 1 . . . . . 31 VAL HG1 . 51495 1 296 . 1 . 1 31 31 VAL HG12 H 1 1.347 0.020 . 1 . . . . . 31 VAL HG1 . 51495 1 297 . 1 . 1 31 31 VAL HG13 H 1 1.347 0.020 . 1 . . . . . 31 VAL HG1 . 51495 1 298 . 1 . 1 31 31 VAL HG21 H 1 1.228 0.020 . 1 . . . . . 31 VAL HG2 . 51495 1 299 . 1 . 1 31 31 VAL HG22 H 1 1.228 0.020 . 1 . . . . . 31 VAL HG2 . 51495 1 300 . 1 . 1 31 31 VAL HG23 H 1 1.228 0.020 . 1 . . . . . 31 VAL HG2 . 51495 1 301 . 1 . 1 31 31 VAL C C 13 175.094 0.3 . 1 . . . . . 31 VAL C . 51495 1 302 . 1 . 1 31 31 VAL CA C 13 61.603 0.3 . 1 . . . . . 31 VAL CA . 51495 1 303 . 1 . 1 31 31 VAL CB C 13 33.463 0.3 . 1 . . . . . 31 VAL CB . 51495 1 304 . 1 . 1 31 31 VAL CG1 C 13 21.890 0.3 . 1 . . . . . 31 VAL CG1 . 51495 1 305 . 1 . 1 31 31 VAL CG2 C 13 21.886 0.3 . 1 . . . . . 31 VAL CG2 . 51495 1 306 . 1 . 1 31 31 VAL N N 15 117.486 0.3 . 1 . . . . . 31 VAL N . 51495 1 307 . 1 . 1 32 32 ASP H H 1 8.876 0.020 . 1 . . . . . 32 ASP H . 51495 1 308 . 1 . 1 32 32 ASP HA H 1 4.827 0.020 . 1 . . . . . 32 ASP HA . 51495 1 309 . 1 . 1 32 32 ASP HB2 H 1 2.733 0.020 . 2 . . . . . 32 ASP HB2 . 51495 1 310 . 1 . 1 32 32 ASP HB3 H 1 2.657 0.020 . 2 . . . . . 32 ASP HB3 . 51495 1 311 . 1 . 1 32 32 ASP C C 13 175.659 0.3 . 1 . . . . . 32 ASP C . 51495 1 312 . 1 . 1 32 32 ASP CA C 13 53.394 0.3 . 1 . . . . . 32 ASP CA . 51495 1 313 . 1 . 1 32 32 ASP CB C 13 40.740 0.3 . 1 . . . . . 32 ASP CB . 51495 1 314 . 1 . 1 32 32 ASP N N 15 127.561 0.3 . 1 . . . . . 32 ASP N . 51495 1 315 . 1 . 1 33 33 VAL H H 1 6.826 0.020 . 1 . . . . . 33 VAL H . 51495 1 316 . 1 . 1 33 33 VAL HA H 1 4.164 0.020 . 1 . . . . . 33 VAL HA . 51495 1 317 . 1 . 1 33 33 VAL HB H 1 1.648 0.020 . 1 . . . . . 33 VAL HB . 51495 1 318 . 1 . 1 33 33 VAL HG11 H 1 0.560 0.020 . 1 . . . . . 33 VAL HG1 . 51495 1 319 . 1 . 1 33 33 VAL HG12 H 1 0.560 0.020 . 1 . . . . . 33 VAL HG1 . 51495 1 320 . 1 . 1 33 33 VAL HG13 H 1 0.560 0.020 . 1 . . . . . 33 VAL HG1 . 51495 1 321 . 1 . 1 33 33 VAL HG21 H 1 1.010 0.020 . 1 . . . . . 33 VAL HG2 . 51495 1 322 . 1 . 1 33 33 VAL HG22 H 1 1.010 0.020 . 1 . . . . . 33 VAL HG2 . 51495 1 323 . 1 . 1 33 33 VAL HG23 H 1 1.010 0.020 . 1 . . . . . 33 VAL HG2 . 51495 1 324 . 1 . 1 33 33 VAL C C 13 175.270 0.3 . 1 . . . . . 33 VAL C . 51495 1 325 . 1 . 1 33 33 VAL CA C 13 61.260 0.3 . 1 . . . . . 33 VAL CA . 51495 1 326 . 1 . 1 33 33 VAL CB C 13 34.404 0.3 . 1 . . . . . 33 VAL CB . 51495 1 327 . 1 . 1 33 33 VAL CG1 C 13 20.636 0.3 . 1 . . . . . 33 VAL CG1 . 51495 1 328 . 1 . 1 33 33 VAL CG2 C 13 20.373 0.3 . 1 . . . . . 33 VAL CG2 . 51495 1 329 . 1 . 1 33 33 VAL N N 15 118.822 0.3 . 1 . . . . . 33 VAL N . 51495 1 330 . 1 . 1 34 34 ASP H H 1 8.785 0.020 . 1 . . . . . 34 ASP H . 51495 1 331 . 1 . 1 34 34 ASP HA H 1 4.552 0.020 . 1 . . . . . 34 ASP HA . 51495 1 332 . 1 . 1 34 34 ASP HB2 H 1 2.847 0.020 . 2 . . . . . 34 ASP HB2 . 51495 1 333 . 1 . 1 34 34 ASP HB3 H 1 2.789 0.020 . 2 . . . . . 34 ASP HB3 . 51495 1 334 . 1 . 1 34 34 ASP C C 13 175.764 0.3 . 1 . . . . . 34 ASP C . 51495 1 335 . 1 . 1 34 34 ASP CA C 13 56.674 0.3 . 1 . . . . . 34 ASP CA . 51495 1 336 . 1 . 1 34 34 ASP CB C 13 41.312 0.3 . 1 . . . . . 34 ASP CB . 51495 1 337 . 1 . 1 34 34 ASP N N 15 126.344 0.3 . 1 . . . . . 34 ASP N . 51495 1 338 . 1 . 1 35 35 VAL H H 1 7.444 0.020 . 1 . . . . . 35 VAL H . 51495 1 339 . 1 . 1 35 35 VAL HA H 1 4.507 0.020 . 1 . . . . . 35 VAL HA . 51495 1 340 . 1 . 1 35 35 VAL HB H 1 2.157 0.020 . 1 . . . . . 35 VAL HB . 51495 1 341 . 1 . 1 35 35 VAL HG11 H 1 1.048 0.020 . 1 . . . . . 35 VAL HG1 . 51495 1 342 . 1 . 1 35 35 VAL HG12 H 1 1.048 0.020 . 1 . . . . . 35 VAL HG1 . 51495 1 343 . 1 . 1 35 35 VAL HG13 H 1 1.048 0.020 . 1 . . . . . 35 VAL HG1 . 51495 1 344 . 1 . 1 35 35 VAL HG21 H 1 1.038 0.020 . 1 . . . . . 35 VAL HG2 . 51495 1 345 . 1 . 1 35 35 VAL HG22 H 1 1.038 0.020 . 1 . . . . . 35 VAL HG2 . 51495 1 346 . 1 . 1 35 35 VAL HG23 H 1 1.038 0.020 . 1 . . . . . 35 VAL HG2 . 51495 1 347 . 1 . 1 35 35 VAL C C 13 174.320 0.3 . 1 . . . . . 35 VAL C . 51495 1 348 . 1 . 1 35 35 VAL CA C 13 59.997 0.3 . 1 . . . . . 35 VAL CA . 51495 1 349 . 1 . 1 35 35 VAL CB C 13 35.395 0.3 . 1 . . . . . 35 VAL CB . 51495 1 350 . 1 . 1 35 35 VAL CG1 C 13 20.650 0.3 . 1 . . . . . 35 VAL CG1 . 51495 1 351 . 1 . 1 35 35 VAL CG2 C 13 20.591 0.3 . 1 . . . . . 35 VAL CG2 . 51495 1 352 . 1 . 1 35 35 VAL N N 15 116.471 0.3 . 1 . . . . . 35 VAL N . 51495 1 353 . 1 . 1 36 36 PHE H H 1 9.338 0.020 . 1 . . . . . 36 PHE H . 51495 1 354 . 1 . 1 36 36 PHE HA H 1 4.884 0.020 . 1 . . . . . 36 PHE HA . 51495 1 355 . 1 . 1 36 36 PHE HB2 H 1 3.401 0.020 . 2 . . . . . 36 PHE HB2 . 51495 1 356 . 1 . 1 36 36 PHE HB3 H 1 3.215 0.020 . 2 . . . . . 36 PHE HB3 . 51495 1 357 . 1 . 1 36 36 PHE C C 13 175.197 0.3 . 1 . . . . . 36 PHE C . 51495 1 358 . 1 . 1 36 36 PHE CA C 13 58.974 0.3 . 1 . . . . . 36 PHE CA . 51495 1 359 . 1 . 1 36 36 PHE CB C 13 40.187 0.3 . 1 . . . . . 36 PHE CB . 51495 1 360 . 1 . 1 36 36 PHE N N 15 124.550 0.3 . 1 . . . . . 36 PHE N . 51495 1 361 . 1 . 1 37 37 LEU H H 1 8.955 0.020 . 1 . . . . . 37 LEU H . 51495 1 362 . 1 . 1 37 37 LEU HA H 1 4.348 0.020 . 1 . . . . . 37 LEU HA . 51495 1 363 . 1 . 1 37 37 LEU HB2 H 1 1.623 0.020 . 2 . . . . . 37 LEU HB2 . 51495 1 364 . 1 . 1 37 37 LEU HB3 H 1 2.082 0.020 . 2 . . . . . 37 LEU HB3 . 51495 1 365 . 1 . 1 37 37 LEU HG H 1 1.642 0.020 . 1 . . . . . 37 LEU HG . 51495 1 366 . 1 . 1 37 37 LEU HD11 H 1 0.942 0.020 . 1 . . . . . 37 LEU HD1 . 51495 1 367 . 1 . 1 37 37 LEU HD12 H 1 0.942 0.020 . 1 . . . . . 37 LEU HD1 . 51495 1 368 . 1 . 1 37 37 LEU HD13 H 1 0.942 0.020 . 1 . . . . . 37 LEU HD1 . 51495 1 369 . 1 . 1 37 37 LEU HD21 H 1 0.882 0.020 . 1 . . . . . 37 LEU HD2 . 51495 1 370 . 1 . 1 37 37 LEU HD22 H 1 0.882 0.020 . 1 . . . . . 37 LEU HD2 . 51495 1 371 . 1 . 1 37 37 LEU HD23 H 1 0.882 0.020 . 1 . . . . . 37 LEU HD2 . 51495 1 372 . 1 . 1 37 37 LEU C C 13 179.239 0.3 . 1 . . . . . 37 LEU C . 51495 1 373 . 1 . 1 37 37 LEU CA C 13 54.543 0.3 . 1 . . . . . 37 LEU CA . 51495 1 374 . 1 . 1 37 37 LEU CB C 13 41.867 0.3 . 1 . . . . . 37 LEU CB . 51495 1 375 . 1 . 1 37 37 LEU CG C 13 26.898 0.3 . 1 . . . . . 37 LEU CG . 51495 1 376 . 1 . 1 37 37 LEU CD1 C 13 24.716 0.3 . 1 . . . . . 37 LEU CD1 . 51495 1 377 . 1 . 1 37 37 LEU CD2 C 13 23.174 0.3 . 1 . . . . . 37 LEU CD2 . 51495 1 378 . 1 . 1 37 37 LEU N N 15 125.475 0.3 . 1 . . . . . 37 LEU N . 51495 1 379 . 1 . 1 38 38 SER H H 1 9.119 0.020 . 1 . . . . . 38 SER H . 51495 1 380 . 1 . 1 38 38 SER HA H 1 4.898 0.020 . 1 . . . . . 38 SER HA . 51495 1 381 . 1 . 1 38 38 SER HB2 H 1 4.544 0.020 . 2 . . . . . 38 SER HB2 . 51495 1 382 . 1 . 1 38 38 SER HB3 H 1 4.478 0.020 . 2 . . . . . 38 SER HB3 . 51495 1 383 . 1 . 1 38 38 SER C C 13 174.840 0.3 . 1 . . . . . 38 SER C . 51495 1 384 . 1 . 1 38 38 SER CA C 13 62.996 0.3 . 1 . . . . . 38 SER CA . 51495 1 385 . 1 . 1 38 38 SER CB C 13 64.111 0.3 . 1 . . . . . 38 SER CB . 51495 1 386 . 1 . 1 38 38 SER N N 15 120.269 0.3 . 1 . . . . . 38 SER N . 51495 1 387 . 1 . 1 39 39 MET H H 1 8.508 0.020 . 1 . . . . . 39 MET H . 51495 1 388 . 1 . 1 39 39 MET HA H 1 5.386 0.020 . 1 . . . . . 39 MET HA . 51495 1 389 . 1 . 1 39 39 MET HB2 H 1 2.114 0.020 . 2 . . . . . 39 MET HB2 . 51495 1 390 . 1 . 1 39 39 MET HB3 H 1 2.069 0.020 . 2 . . . . . 39 MET HB3 . 51495 1 391 . 1 . 1 39 39 MET HG2 H 1 2.370 0.020 . 2 . . . . . 39 MET HG2 . 51495 1 392 . 1 . 1 39 39 MET HG3 H 1 2.346 0.020 . 2 . . . . . 39 MET HG3 . 51495 1 393 . 1 . 1 39 39 MET C C 13 176.853 0.3 . 1 . . . . . 39 MET C . 51495 1 394 . 1 . 1 39 39 MET CA C 13 54.537 0.3 . 1 . . . . . 39 MET CA . 51495 1 395 . 1 . 1 39 39 MET CB C 13 30.324 0.3 . 1 . . . . . 39 MET CB . 51495 1 396 . 1 . 1 39 39 MET CG C 13 29.074 0.3 . 1 . . . . . 39 MET CG . 51495 1 397 . 1 . 1 39 39 MET N N 15 111.303 0.3 . 1 . . . . . 39 MET N . 51495 1 398 . 1 . 1 40 40 GLU H H 1 8.154 0.020 . 1 . . . . . 40 GLU H . 51495 1 399 . 1 . 1 40 40 GLU HA H 1 4.595 0.020 . 1 . . . . . 40 GLU HA . 51495 1 400 . 1 . 1 40 40 GLU HB2 H 1 2.473 0.020 . 2 . . . . . 40 GLU HB2 . 51495 1 401 . 1 . 1 40 40 GLU HB3 H 1 2.387 0.020 . 2 . . . . . 40 GLU HB3 . 51495 1 402 . 1 . 1 40 40 GLU HG2 H 1 2.287 0.020 . 2 . . . . . 40 GLU HG2 . 51495 1 403 . 1 . 1 40 40 GLU HG3 H 1 2.033 0.020 . 2 . . . . . 40 GLU HG3 . 51495 1 404 . 1 . 1 40 40 GLU C C 13 175.344 0.3 . 1 . . . . . 40 GLU C . 51495 1 405 . 1 . 1 40 40 GLU CA C 13 54.705 0.3 . 1 . . . . . 40 GLU CA . 51495 1 406 . 1 . 1 40 40 GLU CB C 13 32.309 0.3 . 1 . . . . . 40 GLU CB . 51495 1 407 . 1 . 1 40 40 GLU CG C 13 36.256 0.3 . 1 . . . . . 40 GLU CG . 51495 1 408 . 1 . 1 40 40 GLU N N 15 120.763 0.3 . 1 . . . . . 40 GLU N . 51495 1 409 . 1 . 1 41 41 GLY H H 1 8.662 0.020 . 1 . . . . . 41 GLY H . 51495 1 410 . 1 . 1 41 41 GLY HA2 H 1 5.048 0.020 . 2 . . . . . 41 GLY HA2 . 51495 1 411 . 1 . 1 41 41 GLY HA3 H 1 3.726 0.020 . 2 . . . . . 41 GLY HA3 . 51495 1 412 . 1 . 1 41 41 GLY C C 13 173.757 0.3 . 1 . . . . . 41 GLY C . 51495 1 413 . 1 . 1 41 41 GLY CA C 13 45.190 0.3 . 1 . . . . . 41 GLY CA . 51495 1 414 . 1 . 1 41 41 GLY N N 15 109.296 0.3 . 1 . . . . . 41 GLY N . 51495 1 415 . 1 . 1 42 42 TYR H H 1 7.952 0.020 . 1 . . . . . 42 TYR H . 51495 1 416 . 1 . 1 42 42 TYR HA H 1 4.110 0.020 . 1 . . . . . 42 TYR HA . 51495 1 417 . 1 . 1 42 42 TYR HB2 H 1 2.273 0.020 . 2 . . . . . 42 TYR HB2 . 51495 1 418 . 1 . 1 42 42 TYR HB3 H 1 2.196 0.020 . 2 . . . . . 42 TYR HB3 . 51495 1 419 . 1 . 1 42 42 TYR C C 13 175.746 0.3 . 1 . . . . . 42 TYR C . 51495 1 420 . 1 . 1 42 42 TYR CA C 13 57.834 0.3 . 1 . . . . . 42 TYR CA . 51495 1 421 . 1 . 1 42 42 TYR CB C 13 36.268 0.3 . 1 . . . . . 42 TYR CB . 51495 1 422 . 1 . 1 42 42 TYR N N 15 120.835 0.3 . 1 . . . . . 42 TYR N . 51495 1 423 . 1 . 1 43 43 PRO HA H 1 5.130 0.020 . 1 . . . . . 43 PRO HA . 51495 1 424 . 1 . 1 43 43 PRO HB2 H 1 2.979 0.020 . 2 . . . . . 43 PRO HB2 . 51495 1 425 . 1 . 1 43 43 PRO HB3 H 1 2.590 0.020 . 2 . . . . . 43 PRO HB3 . 51495 1 426 . 1 . 1 43 43 PRO HG2 H 1 2.725 0.020 . 2 . . . . . 43 PRO HG2 . 51495 1 427 . 1 . 1 43 43 PRO HG3 H 1 2.521 0.020 . 2 . . . . . 43 PRO HG3 . 51495 1 428 . 1 . 1 43 43 PRO HD2 H 1 4.462 0.020 . 2 . . . . . 43 PRO HD2 . 51495 1 429 . 1 . 1 43 43 PRO HD3 H 1 4.347 0.020 . 2 . . . . . 43 PRO HD3 . 51495 1 430 . 1 . 1 43 43 PRO CA C 13 64.200 0.3 . 1 . . . . . 43 PRO CA . 51495 1 431 . 1 . 1 43 43 PRO CB C 13 32.509 0.3 . 1 . . . . . 43 PRO CB . 51495 1 432 . 1 . 1 43 43 PRO CG C 13 28.280 0.3 . 1 . . . . . 43 PRO CG . 51495 1 433 . 1 . 1 43 43 PRO CD C 13 50.944 0.3 . 1 . . . . . 43 PRO CD . 51495 1 434 . 1 . 1 44 44 ASP H H 1 9.744 0.020 . 1 . . . . . 44 ASP H . 51495 1 435 . 1 . 1 44 44 ASP HA H 1 5.114 0.020 . 1 . . . . . 44 ASP HA . 51495 1 436 . 1 . 1 44 44 ASP HB2 H 1 3.376 0.020 . 2 . . . . . 44 ASP HB2 . 51495 1 437 . 1 . 1 44 44 ASP HB3 H 1 3.316 0.020 . 2 . . . . . 44 ASP HB3 . 51495 1 438 . 1 . 1 44 44 ASP C C 13 178.223 0.3 . 1 . . . . . 44 ASP C . 51495 1 439 . 1 . 1 44 44 ASP CA C 13 58.644 0.3 . 1 . . . . . 44 ASP CA . 51495 1 440 . 1 . 1 44 44 ASP CB C 13 40.459 0.3 . 1 . . . . . 44 ASP CB . 51495 1 441 . 1 . 1 44 44 ASP N N 15 126.606 0.3 . 1 . . . . . 44 ASP N . 51495 1 442 . 1 . 1 45 45 ASP H H 1 8.973 0.020 . 1 . . . . . 45 ASP H . 51495 1 443 . 1 . 1 45 45 ASP HA H 1 4.883 0.020 . 1 . . . . . 45 ASP HA . 51495 1 444 . 1 . 1 45 45 ASP HB2 H 1 2.827 0.020 . 2 . . . . . 45 ASP HB2 . 51495 1 445 . 1 . 1 45 45 ASP HB3 H 1 2.771 0.020 . 2 . . . . . 45 ASP HB3 . 51495 1 446 . 1 . 1 45 45 ASP C C 13 178.329 0.3 . 1 . . . . . 45 ASP C . 51495 1 447 . 1 . 1 45 45 ASP CA C 13 57.003 0.3 . 1 . . . . . 45 ASP CA . 51495 1 448 . 1 . 1 45 45 ASP CB C 13 41.306 0.3 . 1 . . . . . 45 ASP CB . 51495 1 449 . 1 . 1 45 45 ASP N N 15 112.626 0.3 . 1 . . . . . 45 ASP N . 51495 1 450 . 1 . 1 46 46 ILE HA H 1 4.029 0.020 . 1 . . . . . 46 ILE HA . 51495 1 451 . 1 . 1 46 46 ILE HB H 1 1.923 0.020 . 1 . . . . . 46 ILE HB . 51495 1 452 . 1 . 1 46 46 ILE HG12 H 1 1.970 0.020 . 1 . . . . . 46 ILE HG12 . 51495 1 453 . 1 . 1 46 46 ILE HG13 H 1 1.970 0.020 . 1 . . . . . 46 ILE HG13 . 51495 1 454 . 1 . 1 46 46 ILE HG21 H 1 1.480 0.020 . 1 . . . . . 46 ILE HG2 . 51495 1 455 . 1 . 1 46 46 ILE HG22 H 1 1.480 0.020 . 1 . . . . . 46 ILE HG2 . 51495 1 456 . 1 . 1 46 46 ILE HG23 H 1 1.480 0.020 . 1 . . . . . 46 ILE HG2 . 51495 1 457 . 1 . 1 46 46 ILE HD11 H 1 1.631 0.020 . 1 . . . . . 46 ILE HD1 . 51495 1 458 . 1 . 1 46 46 ILE HD12 H 1 1.631 0.020 . 1 . . . . . 46 ILE HD1 . 51495 1 459 . 1 . 1 46 46 ILE HD13 H 1 1.631 0.020 . 1 . . . . . 46 ILE HD1 . 51495 1 460 . 1 . 1 46 46 ILE C C 13 177.757 0.3 . 1 . . . . . 46 ILE C . 51495 1 461 . 1 . 1 46 46 ILE CA C 13 65.865 0.3 . 1 . . . . . 46 ILE CA . 51495 1 462 . 1 . 1 46 46 ILE CB C 13 37.358 0.3 . 1 . . . . . 46 ILE CB . 51495 1 463 . 1 . 1 46 46 ILE CG1 C 13 29.696 0.3 . 1 . . . . . 46 ILE CG1 . 51495 1 464 . 1 . 1 46 46 ILE CG2 C 13 17.848 0.3 . 1 . . . . . 46 ILE CG2 . 51495 1 465 . 1 . 1 46 46 ILE CD1 C 13 13.067 0.3 . 1 . . . . . 46 ILE CD1 . 51495 1 466 . 1 . 1 47 47 THR H H 1 7.980 0.020 . 1 . . . . . 47 THR H . 51495 1 467 . 1 . 1 47 47 THR HA H 1 4.319 0.020 . 1 . . . . . 47 THR HA . 51495 1 468 . 1 . 1 47 47 THR HB H 1 4.283 0.020 . 1 . . . . . 47 THR HB . 51495 1 469 . 1 . 1 47 47 THR HG21 H 1 1.753 0.020 . 1 . . . . . 47 THR HG2 . 51495 1 470 . 1 . 1 47 47 THR HG22 H 1 1.753 0.020 . 1 . . . . . 47 THR HG2 . 51495 1 471 . 1 . 1 47 47 THR HG23 H 1 1.753 0.020 . 1 . . . . . 47 THR HG2 . 51495 1 472 . 1 . 1 47 47 THR C C 13 175.755 0.3 . 1 . . . . . 47 THR C . 51495 1 473 . 1 . 1 47 47 THR CA C 13 67.829 0.3 . 1 . . . . . 47 THR CA . 51495 1 474 . 1 . 1 47 47 THR CB C 13 69.726 0.3 . 1 . . . . . 47 THR CB . 51495 1 475 . 1 . 1 47 47 THR CG2 C 13 21.606 0.3 . 1 . . . . . 47 THR CG2 . 51495 1 476 . 1 . 1 47 47 THR N N 15 117.782 0.3 . 1 . . . . . 47 THR N . 51495 1 477 . 1 . 1 48 48 HIS H H 1 7.311 0.020 . 1 . . . . . 48 HIS H . 51495 1 478 . 1 . 1 48 48 HIS HA H 1 4.589 0.020 . 1 . . . . . 48 HIS HA . 51495 1 479 . 1 . 1 48 48 HIS HB2 H 1 3.432 0.020 . 2 . . . . . 48 HIS HB2 . 51495 1 480 . 1 . 1 48 48 HIS HB3 H 1 3.385 0.020 . 2 . . . . . 48 HIS HB3 . 51495 1 481 . 1 . 1 48 48 HIS C C 13 179.178 0.3 . 1 . . . . . 48 HIS C . 51495 1 482 . 1 . 1 48 48 HIS CA C 13 59.948 0.3 . 1 . . . . . 48 HIS CA . 51495 1 483 . 1 . 1 48 48 HIS CB C 13 30.783 0.3 . 1 . . . . . 48 HIS CB . 51495 1 484 . 1 . 1 48 48 HIS N N 15 117.372 0.3 . 1 . . . . . 48 HIS N . 51495 1 485 . 1 . 1 49 49 LYS H H 1 9.062 0.020 . 1 . . . . . 49 LYS H . 51495 1 486 . 1 . 1 49 49 LYS HA H 1 4.230 0.020 . 1 . . . . . 49 LYS HA . 51495 1 487 . 1 . 1 49 49 LYS HB2 H 1 2.269 0.020 . 2 . . . . . 49 LYS HB2 . 51495 1 488 . 1 . 1 49 49 LYS HB3 H 1 2.078 0.020 . 2 . . . . . 49 LYS HB3 . 51495 1 489 . 1 . 1 49 49 LYS HG2 H 1 1.759 0.020 . 2 . . . . . 49 LYS HG2 . 51495 1 490 . 1 . 1 49 49 LYS HG3 H 1 1.695 0.020 . 2 . . . . . 49 LYS HG3 . 51495 1 491 . 1 . 1 49 49 LYS HD2 H 1 1.520 0.020 . 1 . . . . . 49 LYS HD2 . 51495 1 492 . 1 . 1 49 49 LYS HD3 H 1 1.520 0.020 . 1 . . . . . 49 LYS HD3 . 51495 1 493 . 1 . 1 49 49 LYS HE2 H 1 3.198 0.020 . 2 . . . . . 49 LYS HE2 . 51495 1 494 . 1 . 1 49 49 LYS HE3 H 1 3.141 0.020 . 2 . . . . . 49 LYS HE3 . 51495 1 495 . 1 . 1 49 49 LYS C C 13 180.580 0.3 . 1 . . . . . 49 LYS C . 51495 1 496 . 1 . 1 49 49 LYS CA C 13 60.615 0.3 . 1 . . . . . 49 LYS CA . 51495 1 497 . 1 . 1 49 49 LYS CB C 13 33.135 0.3 . 1 . . . . . 49 LYS CB . 51495 1 498 . 1 . 1 49 49 LYS CG C 13 26.255 0.3 . 1 . . . . . 49 LYS CG . 51495 1 499 . 1 . 1 49 49 LYS CD C 13 29.718 0.3 . 1 . . . . . 49 LYS CD . 51495 1 500 . 1 . 1 49 49 LYS CE C 13 41.888 0.3 . 1 . . . . . 49 LYS CE . 51495 1 501 . 1 . 1 49 49 LYS N N 15 120.875 0.3 . 1 . . . . . 49 LYS N . 51495 1 502 . 1 . 1 50 50 LEU H H 1 8.603 0.020 . 1 . . . . . 50 LEU H . 51495 1 503 . 1 . 1 50 50 LEU HA H 1 5.520 0.020 . 1 . . . . . 50 LEU HA . 51495 1 504 . 1 . 1 50 50 LEU HB2 H 1 1.401 0.020 . 2 . . . . . 50 LEU HB2 . 51495 1 505 . 1 . 1 50 50 LEU HB3 H 1 2.162 0.020 . 2 . . . . . 50 LEU HB3 . 51495 1 506 . 1 . 1 50 50 LEU HG H 1 1.574 0.020 . 1 . . . . . 50 LEU HG . 51495 1 507 . 1 . 1 50 50 LEU HD11 H 1 2.061 0.020 . 1 . . . . . 50 LEU HD1 . 51495 1 508 . 1 . 1 50 50 LEU HD12 H 1 2.061 0.020 . 1 . . . . . 50 LEU HD1 . 51495 1 509 . 1 . 1 50 50 LEU HD13 H 1 2.061 0.020 . 1 . . . . . 50 LEU HD1 . 51495 1 510 . 1 . 1 50 50 LEU HD21 H 1 0.967 0.020 . 1 . . . . . 50 LEU HD2 . 51495 1 511 . 1 . 1 50 50 LEU HD22 H 1 0.967 0.020 . 1 . . . . . 50 LEU HD2 . 51495 1 512 . 1 . 1 50 50 LEU HD23 H 1 0.967 0.020 . 1 . . . . . 50 LEU HD2 . 51495 1 513 . 1 . 1 50 50 LEU C C 13 178.610 0.3 . 1 . . . . . 50 LEU C . 51495 1 514 . 1 . 1 50 50 LEU CA C 13 58.562 0.3 . 1 . . . . . 50 LEU CA . 51495 1 515 . 1 . 1 50 50 LEU CB C 13 42.437 0.3 . 1 . . . . . 50 LEU CB . 51495 1 516 . 1 . 1 50 50 LEU CG C 13 26.402 0.3 . 1 . . . . . 50 LEU CG . 51495 1 517 . 1 . 1 50 50 LEU CD1 C 13 24.680 0.3 . 1 . . . . . 50 LEU CD1 . 51495 1 518 . 1 . 1 50 50 LEU CD2 C 13 22.819 0.3 . 1 . . . . . 50 LEU CD2 . 51495 1 519 . 1 . 1 50 50 LEU N N 15 120.382 0.3 . 1 . . . . . 50 LEU N . 51495 1 520 . 1 . 1 51 51 VAL H H 1 8.189 0.020 . 1 . . . . . 51 VAL H . 51495 1 521 . 1 . 1 51 51 VAL HA H 1 3.443 0.020 . 1 . . . . . 51 VAL HA . 51495 1 522 . 1 . 1 51 51 VAL HB H 1 2.380 0.020 . 1 . . . . . 51 VAL HB . 51495 1 523 . 1 . 1 51 51 VAL HG11 H 1 1.074 0.020 . 1 . . . . . 51 VAL HG1 . 51495 1 524 . 1 . 1 51 51 VAL HG12 H 1 1.074 0.020 . 1 . . . . . 51 VAL HG1 . 51495 1 525 . 1 . 1 51 51 VAL HG13 H 1 1.074 0.020 . 1 . . . . . 51 VAL HG1 . 51495 1 526 . 1 . 1 51 51 VAL HG21 H 1 1.027 0.020 . 1 . . . . . 51 VAL HG2 . 51495 1 527 . 1 . 1 51 51 VAL HG22 H 1 1.027 0.020 . 1 . . . . . 51 VAL HG2 . 51495 1 528 . 1 . 1 51 51 VAL HG23 H 1 1.027 0.020 . 1 . . . . . 51 VAL HG2 . 51495 1 529 . 1 . 1 51 51 VAL C C 13 177.815 0.3 . 1 . . . . . 51 VAL C . 51495 1 530 . 1 . 1 51 51 VAL CA C 13 67.666 0.3 . 1 . . . . . 51 VAL CA . 51495 1 531 . 1 . 1 51 51 VAL CB C 13 31.617 0.3 . 1 . . . . . 51 VAL CB . 51495 1 532 . 1 . 1 51 51 VAL CG1 C 13 22.150 0.3 . 1 . . . . . 51 VAL CG1 . 51495 1 533 . 1 . 1 51 51 VAL CG2 C 13 21.747 0.3 . 1 . . . . . 51 VAL CG2 . 51495 1 534 . 1 . 1 51 51 VAL N N 15 119.016 0.3 . 1 . . . . . 51 VAL N . 51495 1 535 . 1 . 1 52 52 LYS H H 1 8.432 0.020 . 1 . . . . . 52 LYS H . 51495 1 536 . 1 . 1 52 52 LYS HA H 1 3.937 0.020 . 1 . . . . . 52 LYS HA . 51495 1 537 . 1 . 1 52 52 LYS HB2 H 1 2.039 0.020 . 2 . . . . . 52 LYS HB2 . 51495 1 538 . 1 . 1 52 52 LYS HB3 H 1 2.011 0.020 . 2 . . . . . 52 LYS HB3 . 51495 1 539 . 1 . 1 52 52 LYS HG2 H 1 1.521 0.020 . 2 . . . . . 52 LYS HG2 . 51495 1 540 . 1 . 1 52 52 LYS HG3 H 1 1.102 0.020 . 2 . . . . . 52 LYS HG3 . 51495 1 541 . 1 . 1 52 52 LYS HD2 H 1 1.749 0.020 . 2 . . . . . 52 LYS HD2 . 51495 1 542 . 1 . 1 52 52 LYS HD3 H 1 1.672 0.020 . 2 . . . . . 52 LYS HD3 . 51495 1 543 . 1 . 1 52 52 LYS HE2 H 1 3.041 0.020 . 2 . . . . . 52 LYS HE2 . 51495 1 544 . 1 . 1 52 52 LYS HE3 H 1 3.014 0.020 . 2 . . . . . 52 LYS HE3 . 51495 1 545 . 1 . 1 52 52 LYS C C 13 179.523 0.3 . 1 . . . . . 52 LYS C . 51495 1 546 . 1 . 1 52 52 LYS CA C 13 59.790 0.3 . 1 . . . . . 52 LYS CA . 51495 1 547 . 1 . 1 52 52 LYS CB C 13 32.012 0.3 . 1 . . . . . 52 LYS CB . 51495 1 548 . 1 . 1 52 52 LYS CG C 13 25.313 0.3 . 1 . . . . . 52 LYS CG . 51495 1 549 . 1 . 1 52 52 LYS CD C 13 29.395 0.3 . 1 . . . . . 52 LYS CD . 51495 1 550 . 1 . 1 52 52 LYS CE C 13 41.897 0.3 . 1 . . . . . 52 LYS CE . 51495 1 551 . 1 . 1 52 52 LYS N N 15 119.942 0.3 . 1 . . . . . 52 LYS N . 51495 1 552 . 1 . 1 53 53 ALA H H 1 8.219 0.020 . 1 . . . . . 53 ALA H . 51495 1 553 . 1 . 1 53 53 ALA HA H 1 4.134 0.020 . 1 . . . . . 53 ALA HA . 51495 1 554 . 1 . 1 53 53 ALA HB1 H 1 1.567 0.020 . 1 . . . . . 53 ALA HB . 51495 1 555 . 1 . 1 53 53 ALA HB2 H 1 1.567 0.020 . 1 . . . . . 53 ALA HB . 51495 1 556 . 1 . 1 53 53 ALA HB3 H 1 1.567 0.020 . 1 . . . . . 53 ALA HB . 51495 1 557 . 1 . 1 53 53 ALA C C 13 179.176 0.3 . 1 . . . . . 53 ALA C . 51495 1 558 . 1 . 1 53 53 ALA CA C 13 55.198 0.3 . 1 . . . . . 53 ALA CA . 51495 1 559 . 1 . 1 53 53 ALA CB C 13 20.014 0.3 . 1 . . . . . 53 ALA CB . 51495 1 560 . 1 . 1 53 53 ALA N N 15 121.973 0.3 . 1 . . . . . 53 ALA N . 51495 1 561 . 1 . 1 54 54 ALA H H 1 8.712 0.020 . 1 . . . . . 54 ALA H . 51495 1 562 . 1 . 1 54 54 ALA HA H 1 3.776 0.020 . 1 . . . . . 54 ALA HA . 51495 1 563 . 1 . 1 54 54 ALA HB1 H 1 1.408 0.020 . 1 . . . . . 54 ALA HB . 51495 1 564 . 1 . 1 54 54 ALA HB2 H 1 1.408 0.020 . 1 . . . . . 54 ALA HB . 51495 1 565 . 1 . 1 54 54 ALA HB3 H 1 1.408 0.020 . 1 . . . . . 54 ALA HB . 51495 1 566 . 1 . 1 54 54 ALA C C 13 178.188 0.3 . 1 . . . . . 54 ALA C . 51495 1 567 . 1 . 1 54 54 ALA CA C 13 54.875 0.3 . 1 . . . . . 54 ALA CA . 51495 1 568 . 1 . 1 54 54 ALA CB C 13 17.192 0.3 . 1 . . . . . 54 ALA CB . 51495 1 569 . 1 . 1 54 54 ALA N N 15 119.723 0.3 . 1 . . . . . 54 ALA N . 51495 1 570 . 1 . 1 55 55 SER H H 1 8.123 0.020 . 1 . . . . . 55 SER H . 51495 1 571 . 1 . 1 55 55 SER HA H 1 4.097 0.020 . 1 . . . . . 55 SER HA . 51495 1 572 . 1 . 1 55 55 SER HB2 H 1 3.798 0.020 . 2 . . . . . 55 SER HB2 . 51495 1 573 . 1 . 1 55 55 SER HB3 H 1 3.837 0.020 . 2 . . . . . 55 SER HB3 . 51495 1 574 . 1 . 1 55 55 SER C C 13 178.240 0.3 . 1 . . . . . 55 SER C . 51495 1 575 . 1 . 1 55 55 SER CA C 13 61.114 0.3 . 1 . . . . . 55 SER CA . 51495 1 576 . 1 . 1 55 55 SER CB C 13 62.973 0.3 . 1 . . . . . 55 SER CB . 51495 1 577 . 1 . 1 55 55 SER N N 15 113.730 0.3 . 1 . . . . . 55 SER N . 51495 1 578 . 1 . 1 56 56 VAL H H 1 7.224 0.020 . 1 . . . . . 56 VAL H . 51495 1 579 . 1 . 1 56 56 VAL HA H 1 3.785 0.020 . 1 . . . . . 56 VAL HA . 51495 1 580 . 1 . 1 56 56 VAL HB H 1 2.159 0.020 . 1 . . . . . 56 VAL HB . 51495 1 581 . 1 . 1 56 56 VAL HG11 H 1 1.125 0.020 . 1 . . . . . 56 VAL HG1 . 51495 1 582 . 1 . 1 56 56 VAL HG12 H 1 1.125 0.020 . 1 . . . . . 56 VAL HG1 . 51495 1 583 . 1 . 1 56 56 VAL HG13 H 1 1.125 0.020 . 1 . . . . . 56 VAL HG1 . 51495 1 584 . 1 . 1 56 56 VAL HG21 H 1 0.975 0.020 . 1 . . . . . 56 VAL HG2 . 51495 1 585 . 1 . 1 56 56 VAL HG22 H 1 0.975 0.020 . 1 . . . . . 56 VAL HG2 . 51495 1 586 . 1 . 1 56 56 VAL HG23 H 1 0.975 0.020 . 1 . . . . . 56 VAL HG2 . 51495 1 587 . 1 . 1 56 56 VAL C C 13 178.896 0.3 . 1 . . . . . 56 VAL C . 51495 1 588 . 1 . 1 56 56 VAL CA C 13 65.540 0.3 . 1 . . . . . 56 VAL CA . 51495 1 589 . 1 . 1 56 56 VAL CB C 13 31.891 0.3 . 1 . . . . . 56 VAL CB . 51495 1 590 . 1 . 1 56 56 VAL CG1 C 13 21.533 0.3 . 1 . . . . . 56 VAL CG1 . 51495 1 591 . 1 . 1 56 56 VAL CG2 C 13 21.139 0.3 . 1 . . . . . 56 VAL CG2 . 51495 1 592 . 1 . 1 56 56 VAL N N 15 120.004 0.3 . 1 . . . . . 56 VAL N . 51495 1 593 . 1 . 1 57 57 ILE H H 1 7.883 0.020 . 1 . . . . . 57 ILE H . 51495 1 594 . 1 . 1 57 57 ILE HA H 1 3.801 0.020 . 1 . . . . . 57 ILE HA . 51495 1 595 . 1 . 1 57 57 ILE HB H 1 1.704 0.020 . 1 . . . . . 57 ILE HB . 51495 1 596 . 1 . 1 57 57 ILE HG12 H 1 1.578 0.020 . 2 . . . . . 57 ILE HG12 . 51495 1 597 . 1 . 1 57 57 ILE HG13 H 1 1.237 0.020 . 2 . . . . . 57 ILE HG13 . 51495 1 598 . 1 . 1 57 57 ILE HG21 H 1 0.834 0.020 . 1 . . . . . 57 ILE HG2 . 51495 1 599 . 1 . 1 57 57 ILE HG22 H 1 0.834 0.020 . 1 . . . . . 57 ILE HG2 . 51495 1 600 . 1 . 1 57 57 ILE HG23 H 1 0.834 0.020 . 1 . . . . . 57 ILE HG2 . 51495 1 601 . 1 . 1 57 57 ILE HD11 H 1 0.752 0.020 . 1 . . . . . 57 ILE HD1 . 51495 1 602 . 1 . 1 57 57 ILE HD12 H 1 0.752 0.020 . 1 . . . . . 57 ILE HD1 . 51495 1 603 . 1 . 1 57 57 ILE HD13 H 1 0.752 0.020 . 1 . . . . . 57 ILE HD1 . 51495 1 604 . 1 . 1 57 57 ILE C C 13 177.911 0.3 . 1 . . . . . 57 ILE C . 51495 1 605 . 1 . 1 57 57 ILE CA C 13 62.501 0.3 . 1 . . . . . 57 ILE CA . 51495 1 606 . 1 . 1 57 57 ILE CB C 13 36.889 0.3 . 1 . . . . . 57 ILE CB . 51495 1 607 . 1 . 1 57 57 ILE CG1 C 13 28.392 0.3 . 1 . . . . . 57 ILE CG1 . 51495 1 608 . 1 . 1 57 57 ILE CG2 C 13 17.147 0.3 . 1 . . . . . 57 ILE CG2 . 51495 1 609 . 1 . 1 57 57 ILE CD1 C 13 10.972 0.3 . 1 . . . . . 57 ILE CD1 . 51495 1 610 . 1 . 1 57 57 ILE N N 15 119.878 0.3 . 1 . . . . . 57 ILE N . 51495 1 611 . 1 . 1 58 58 LEU H H 1 8.519 0.020 . 1 . . . . . 58 LEU H . 51495 1 612 . 1 . 1 58 58 LEU HA H 1 4.101 0.020 . 1 . . . . . 58 LEU HA . 51495 1 613 . 1 . 1 58 58 LEU HB2 H 1 1.134 0.020 . 2 . . . . . 58 LEU HB2 . 51495 1 614 . 1 . 1 58 58 LEU HB3 H 1 1.078 0.020 . 2 . . . . . 58 LEU HB3 . 51495 1 615 . 1 . 1 58 58 LEU HG H 1 1.374 0.020 . 1 . . . . . 58 LEU HG . 51495 1 616 . 1 . 1 58 58 LEU HD11 H 1 0.146 0.020 . 1 . . . . . 58 LEU HD1 . 51495 1 617 . 1 . 1 58 58 LEU HD12 H 1 0.146 0.020 . 1 . . . . . 58 LEU HD1 . 51495 1 618 . 1 . 1 58 58 LEU HD13 H 1 0.146 0.020 . 1 . . . . . 58 LEU HD1 . 51495 1 619 . 1 . 1 58 58 LEU HD21 H 1 0.019 0.020 . 1 . . . . . 58 LEU HD2 . 51495 1 620 . 1 . 1 58 58 LEU HD22 H 1 0.019 0.020 . 1 . . . . . 58 LEU HD2 . 51495 1 621 . 1 . 1 58 58 LEU HD23 H 1 0.019 0.020 . 1 . . . . . 58 LEU HD2 . 51495 1 622 . 1 . 1 58 58 LEU C C 13 175.943 0.3 . 1 . . . . . 58 LEU C . 51495 1 623 . 1 . 1 58 58 LEU CA C 13 54.379 0.3 . 1 . . . . . 58 LEU CA . 51495 1 624 . 1 . 1 58 58 LEU CB C 13 41.301 0.3 . 1 . . . . . 58 LEU CB . 51495 1 625 . 1 . 1 58 58 LEU CG C 13 26.268 0.3 . 1 . . . . . 58 LEU CG . 51495 1 626 . 1 . 1 58 58 LEU CD1 C 13 24.197 0.3 . 1 . . . . . 58 LEU CD1 . 51495 1 627 . 1 . 1 58 58 LEU CD2 C 13 20.945 0.3 . 1 . . . . . 58 LEU CD2 . 51495 1 628 . 1 . 1 58 58 LEU N N 15 116.218 0.3 . 1 . . . . . 58 LEU N . 51495 1 629 . 1 . 1 59 59 SER H H 1 7.342 0.020 . 1 . . . . . 59 SER H . 51495 1 630 . 1 . 1 59 59 SER HA H 1 3.960 0.020 . 1 . . . . . 59 SER HA . 51495 1 631 . 1 . 1 59 59 SER HB2 H 1 3.896 0.020 . 2 . . . . . 59 SER HB2 . 51495 1 632 . 1 . 1 59 59 SER HB3 H 1 3.925 0.020 . 2 . . . . . 59 SER HB3 . 51495 1 633 . 1 . 1 59 59 SER CA C 13 58.812 0.3 . 1 . . . . . 59 SER CA . 51495 1 634 . 1 . 1 59 59 SER CB C 13 61.127 0.3 . 1 . . . . . 59 SER CB . 51495 1 635 . 1 . 1 59 59 SER N N 15 112.220 0.3 . 1 . . . . . 59 SER N . 51495 1 636 . 1 . 1 60 60 LEU H H 1 7.498 0.020 . 1 . . . . . 60 LEU H . 51495 1 637 . 1 . 1 60 60 LEU HA H 1 4.675 0.020 . 1 . . . . . 60 LEU HA . 51495 1 638 . 1 . 1 60 60 LEU HB2 H 1 1.227 0.020 . 2 . . . . . 60 LEU HB2 . 51495 1 639 . 1 . 1 60 60 LEU HB3 H 1 1.073 0.020 . 2 . . . . . 60 LEU HB3 . 51495 1 640 . 1 . 1 60 60 LEU HG H 1 0.605 0.020 . 1 . . . . . 60 LEU HG . 51495 1 641 . 1 . 1 60 60 LEU HD11 H 1 0.761 0.020 . 1 . . . . . 60 LEU HD1 . 51495 1 642 . 1 . 1 60 60 LEU HD12 H 1 0.761 0.020 . 1 . . . . . 60 LEU HD1 . 51495 1 643 . 1 . 1 60 60 LEU HD13 H 1 0.761 0.020 . 1 . . . . . 60 LEU HD1 . 51495 1 644 . 1 . 1 60 60 LEU HD21 H 1 0.761 0.020 . 1 . . . . . 60 LEU HD2 . 51495 1 645 . 1 . 1 60 60 LEU HD22 H 1 0.761 0.020 . 1 . . . . . 60 LEU HD2 . 51495 1 646 . 1 . 1 60 60 LEU HD23 H 1 0.761 0.020 . 1 . . . . . 60 LEU HD2 . 51495 1 647 . 1 . 1 60 60 LEU C C 13 175.800 0.3 . 1 . . . . . 60 LEU C . 51495 1 648 . 1 . 1 60 60 LEU CA C 13 52.085 0.3 . 1 . . . . . 60 LEU CA . 51495 1 649 . 1 . 1 60 60 LEU CB C 13 47.079 0.3 . 1 . . . . . 60 LEU CB . 51495 1 650 . 1 . 1 60 60 LEU CG C 13 25.338 0.3 . 1 . . . . . 60 LEU CG . 51495 1 651 . 1 . 1 60 60 LEU CD1 C 13 22.824 0.3 . 1 . . . . . 60 LEU CD1 . 51495 1 652 . 1 . 1 60 60 LEU CD2 C 13 21.892 0.3 . 1 . . . . . 60 LEU CD2 . 51495 1 653 . 1 . 1 60 60 LEU N N 15 118.886 0.3 . 1 . . . . . 60 LEU N . 51495 1 654 . 1 . 1 61 61 SER H H 1 8.855 0.020 . 1 . . . . . 61 SER H . 51495 1 655 . 1 . 1 61 61 SER HA H 1 5.645 0.020 . 1 . . . . . 61 SER HA . 51495 1 656 . 1 . 1 61 61 SER HB2 H 1 4.291 0.020 . 2 . . . . . 61 SER HB2 . 51495 1 657 . 1 . 1 61 61 SER HB3 H 1 3.889 0.020 . 2 . . . . . 61 SER HB3 . 51495 1 658 . 1 . 1 61 61 SER C C 13 173.688 0.3 . 1 . . . . . 61 SER C . 51495 1 659 . 1 . 1 61 61 SER CA C 13 56.352 0.3 . 1 . . . . . 61 SER CA . 51495 1 660 . 1 . 1 61 61 SER CB C 13 62.975 0.3 . 1 . . . . . 61 SER CB . 51495 1 661 . 1 . 1 61 61 SER N N 15 117.600 0.3 . 1 . . . . . 61 SER N . 51495 1 662 . 1 . 1 62 62 PRO HA H 1 3.923 0.020 . 1 . . . . . 62 PRO HA . 51495 1 663 . 1 . 1 62 62 PRO HB2 H 1 2.244 0.020 . 1 . . . . . 62 PRO HB2 . 51495 1 664 . 1 . 1 62 62 PRO HB3 H 1 2.244 0.020 . 1 . . . . . 62 PRO HB3 . 51495 1 665 . 1 . 1 62 62 PRO HG2 H 1 2.245 0.020 . 2 . . . . . 62 PRO HG2 . 51495 1 666 . 1 . 1 62 62 PRO HG3 H 1 1.941 0.020 . 2 . . . . . 62 PRO HG3 . 51495 1 667 . 1 . 1 62 62 PRO HD2 H 1 3.949 0.020 . 1 . . . . . 62 PRO HD2 . 51495 1 668 . 1 . 1 62 62 PRO HD3 H 1 3.949 0.020 . 1 . . . . . 62 PRO HD3 . 51495 1 669 . 1 . 1 62 62 PRO CA C 13 66.185 0.3 . 1 . . . . . 62 PRO CA . 51495 1 670 . 1 . 1 62 62 PRO CB C 13 31.900 0.3 . 1 . . . . . 62 PRO CB . 51495 1 671 . 1 . 1 62 62 PRO CG C 13 28.078 0.3 . 1 . . . . . 62 PRO CG . 51495 1 672 . 1 . 1 62 62 PRO CD C 13 50.003 0.3 . 1 . . . . . 62 PRO CD . 51495 1 673 . 1 . 1 63 63 LYS H H 1 7.696 0.020 . 1 . . . . . 63 LYS H . 51495 1 674 . 1 . 1 63 63 LYS HA H 1 3.579 0.020 . 1 . . . . . 63 LYS HA . 51495 1 675 . 1 . 1 63 63 LYS HB2 H 1 1.882 0.020 . 1 . . . . . 63 LYS HB2 . 51495 1 676 . 1 . 1 63 63 LYS HB3 H 1 1.882 0.020 . 1 . . . . . 63 LYS HB3 . 51495 1 677 . 1 . 1 63 63 LYS HG2 H 1 1.297 0.020 . 2 . . . . . 63 LYS HG2 . 51495 1 678 . 1 . 1 63 63 LYS HG3 H 1 1.088 0.020 . 2 . . . . . 63 LYS HG3 . 51495 1 679 . 1 . 1 63 63 LYS HD2 H 1 1.526 0.020 . 2 . . . . . 63 LYS HD2 . 51495 1 680 . 1 . 1 63 63 LYS HD3 H 1 1.708 0.020 . 2 . . . . . 63 LYS HD3 . 51495 1 681 . 1 . 1 63 63 LYS HE2 H 1 3.024 0.020 . 2 . . . . . 63 LYS HE2 . 51495 1 682 . 1 . 1 63 63 LYS HE3 H 1 2.820 0.020 . 2 . . . . . 63 LYS HE3 . 51495 1 683 . 1 . 1 63 63 LYS C C 13 178.050 0.3 . 1 . . . . . 63 LYS C . 51495 1 684 . 1 . 1 63 63 LYS CA C 13 60.286 0.3 . 1 . . . . . 63 LYS CA . 51495 1 685 . 1 . 1 63 63 LYS CB C 13 31.869 0.3 . 1 . . . . . 63 LYS CB . 51495 1 686 . 1 . 1 63 63 LYS CG C 13 25.203 0.3 . 1 . . . . . 63 LYS CG . 51495 1 687 . 1 . 1 63 63 LYS CD C 13 29.080 0.3 . 1 . . . . . 63 LYS CD . 51495 1 688 . 1 . 1 63 63 LYS CE C 13 41.889 0.3 . 1 . . . . . 63 LYS CE . 51495 1 689 . 1 . 1 63 63 LYS N N 15 115.792 0.3 . 1 . . . . . 63 LYS N . 51495 1 690 . 1 . 1 64 64 GLN H H 1 7.607 0.020 . 1 . . . . . 64 GLN H . 51495 1 691 . 1 . 1 64 64 GLN HA H 1 4.315 0.020 . 1 . . . . . 64 GLN HA . 51495 1 692 . 1 . 1 64 64 GLN HB2 H 1 2.100 0.020 . 2 . . . . . 64 GLN HB2 . 51495 1 693 . 1 . 1 64 64 GLN HB3 H 1 2.075 0.020 . 2 . . . . . 64 GLN HB3 . 51495 1 694 . 1 . 1 64 64 GLN HG2 H 1 2.387 0.020 . 2 . . . . . 64 GLN HG2 . 51495 1 695 . 1 . 1 64 64 GLN HG3 H 1 2.343 0.020 . 2 . . . . . 64 GLN HG3 . 51495 1 696 . 1 . 1 64 64 GLN C C 13 179.808 0.3 . 1 . . . . . 64 GLN C . 51495 1 697 . 1 . 1 64 64 GLN CA C 13 58.973 0.3 . 1 . . . . . 64 GLN CA . 51495 1 698 . 1 . 1 64 64 GLN CB C 13 28.916 0.3 . 1 . . . . . 64 GLN CB . 51495 1 699 . 1 . 1 64 64 GLN CG C 13 35.943 0.3 . 1 . . . . . 64 GLN CG . 51495 1 700 . 1 . 1 64 64 GLN N N 15 118.953 0.3 . 1 . . . . . 64 GLN N . 51495 1 701 . 1 . 1 65 65 ILE H H 1 7.920 0.020 . 1 . . . . . 65 ILE H . 51495 1 702 . 1 . 1 65 65 ILE HA H 1 3.350 0.020 . 1 . . . . . 65 ILE HA . 51495 1 703 . 1 . 1 65 65 ILE HB H 1 1.897 0.020 . 1 . . . . . 65 ILE HB . 51495 1 704 . 1 . 1 65 65 ILE HG12 H 1 1.364 0.020 . 2 . . . . . 65 ILE HG12 . 51495 1 705 . 1 . 1 65 65 ILE HG13 H 1 0.926 0.020 . 2 . . . . . 65 ILE HG13 . 51495 1 706 . 1 . 1 65 65 ILE HG21 H 1 0.616 0.020 . 1 . . . . . 65 ILE HG2 . 51495 1 707 . 1 . 1 65 65 ILE HG22 H 1 0.616 0.020 . 1 . . . . . 65 ILE HG2 . 51495 1 708 . 1 . 1 65 65 ILE HG23 H 1 0.616 0.020 . 1 . . . . . 65 ILE HG2 . 51495 1 709 . 1 . 1 65 65 ILE HD11 H 1 0.513 0.020 . 1 . . . . . 65 ILE HD1 . 51495 1 710 . 1 . 1 65 65 ILE HD12 H 1 0.513 0.020 . 1 . . . . . 65 ILE HD1 . 51495 1 711 . 1 . 1 65 65 ILE HD13 H 1 0.513 0.020 . 1 . . . . . 65 ILE HD1 . 51495 1 712 . 1 . 1 65 65 ILE C C 13 177.200 0.3 . 1 . . . . . 65 ILE C . 51495 1 713 . 1 . 1 65 65 ILE CA C 13 63.729 0.3 . 1 . . . . . 65 ILE CA . 51495 1 714 . 1 . 1 65 65 ILE CB C 13 35.951 0.3 . 1 . . . . . 65 ILE CB . 51495 1 715 . 1 . 1 65 65 ILE CG1 C 13 27.836 0.3 . 1 . . . . . 65 ILE CG1 . 51495 1 716 . 1 . 1 65 65 ILE CG2 C 13 16.581 0.3 . 1 . . . . . 65 ILE CG2 . 51495 1 717 . 1 . 1 65 65 ILE CD1 C 13 12.193 0.3 . 1 . . . . . 65 ILE CD1 . 51495 1 718 . 1 . 1 65 65 ILE N N 15 120.163 0.3 . 1 . . . . . 65 ILE N . 51495 1 719 . 1 . 1 66 66 MET H H 1 8.158 0.020 . 1 . . . . . 66 MET H . 51495 1 720 . 1 . 1 66 66 MET HA H 1 3.646 0.020 . 1 . . . . . 66 MET HA . 51495 1 721 . 1 . 1 66 66 MET HB2 H 1 1.939 0.020 . 2 . . . . . 66 MET HB2 . 51495 1 722 . 1 . 1 66 66 MET HB3 H 1 1.889 0.020 . 2 . . . . . 66 MET HB3 . 51495 1 723 . 1 . 1 66 66 MET HG2 H 1 2.655 0.020 . 2 . . . . . 66 MET HG2 . 51495 1 724 . 1 . 1 66 66 MET HG3 H 1 2.176 0.020 . 2 . . . . . 66 MET HG3 . 51495 1 725 . 1 . 1 66 66 MET C C 13 177.660 0.3 . 1 . . . . . 66 MET C . 51495 1 726 . 1 . 1 66 66 MET CA C 13 58.818 0.3 . 1 . . . . . 66 MET CA . 51495 1 727 . 1 . 1 66 66 MET CB C 13 33.423 0.3 . 1 . . . . . 66 MET CB . 51495 1 728 . 1 . 1 66 66 MET CG C 13 32.986 0.3 . 1 . . . . . 66 MET CG . 51495 1 729 . 1 . 1 66 66 MET N N 15 117.405 0.3 . 1 . . . . . 66 MET N . 51495 1 730 . 1 . 1 67 67 GLN H H 1 7.940 0.020 . 1 . . . . . 67 GLN H . 51495 1 731 . 1 . 1 67 67 GLN HA H 1 4.176 0.020 . 1 . . . . . 67 GLN HA . 51495 1 732 . 1 . 1 67 67 GLN HB2 H 1 2.324 0.020 . 2 . . . . . 67 GLN HB2 . 51495 1 733 . 1 . 1 67 67 GLN HB3 H 1 2.269 0.020 . 2 . . . . . 67 GLN HB3 . 51495 1 734 . 1 . 1 67 67 GLN HG2 H 1 2.567 0.020 . 2 . . . . . 67 GLN HG2 . 51495 1 735 . 1 . 1 67 67 GLN HG3 H 1 2.534 0.020 . 2 . . . . . 67 GLN HG3 . 51495 1 736 . 1 . 1 67 67 GLN C C 13 178.120 0.3 . 1 . . . . . 67 GLN C . 51495 1 737 . 1 . 1 67 67 GLN CA C 13 59.294 0.3 . 1 . . . . . 67 GLN CA . 51495 1 738 . 1 . 1 67 67 GLN CB C 13 27.516 0.3 . 1 . . . . . 67 GLN CB . 51495 1 739 . 1 . 1 67 67 GLN CG C 13 32.192 0.3 . 1 . . . . . 67 GLN CG . 51495 1 740 . 1 . 1 67 67 GLN N N 15 119.307 0.3 . 1 . . . . . 67 GLN N . 51495 1 741 . 1 . 1 68 68 ALA H H 1 7.435 0.020 . 1 . . . . . 68 ALA H . 51495 1 742 . 1 . 1 68 68 ALA HA H 1 3.544 0.020 . 1 . . . . . 68 ALA HA . 51495 1 743 . 1 . 1 68 68 ALA HB1 H 1 1.117 0.020 . 1 . . . . . 68 ALA HB . 51495 1 744 . 1 . 1 68 68 ALA HB2 H 1 1.117 0.020 . 1 . . . . . 68 ALA HB . 51495 1 745 . 1 . 1 68 68 ALA HB3 H 1 1.117 0.020 . 1 . . . . . 68 ALA HB . 51495 1 746 . 1 . 1 68 68 ALA C C 13 179.947 0.3 . 1 . . . . . 68 ALA C . 51495 1 747 . 1 . 1 68 68 ALA CA C 13 54.374 0.3 . 1 . . . . . 68 ALA CA . 51495 1 748 . 1 . 1 68 68 ALA CB C 13 16.532 0.3 . 1 . . . . . 68 ALA CB . 51495 1 749 . 1 . 1 68 68 ALA N N 15 122.401 0.3 . 1 . . . . . 68 ALA N . 51495 1 750 . 1 . 1 69 69 PHE H H 1 8.036 0.020 . 1 . . . . . 69 PHE H . 51495 1 751 . 1 . 1 69 69 PHE HA H 1 3.914 0.020 . 1 . . . . . 69 PHE HA . 51495 1 752 . 1 . 1 69 69 PHE HB2 H 1 2.452 0.020 . 2 . . . . . 69 PHE HB2 . 51495 1 753 . 1 . 1 69 69 PHE HB3 H 1 2.775 0.020 . 2 . . . . . 69 PHE HB3 . 51495 1 754 . 1 . 1 69 69 PHE C C 13 175.057 0.3 . 1 . . . . . 69 PHE C . 51495 1 755 . 1 . 1 69 69 PHE CA C 13 59.288 0.3 . 1 . . . . . 69 PHE CA . 51495 1 756 . 1 . 1 69 69 PHE CB C 13 38.029 0.3 . 1 . . . . . 69 PHE CB . 51495 1 757 . 1 . 1 69 69 PHE N N 15 119.711 0.3 . 1 . . . . . 69 PHE N . 51495 1 758 . 1 . 1 70 70 GLY H H 1 7.061 0.020 . 1 . . . . . 70 GLY H . 51495 1 759 . 1 . 1 70 70 GLY HA2 H 1 3.834 0.020 . 2 . . . . . 70 GLY HA2 . 51495 1 760 . 1 . 1 70 70 GLY HA3 H 1 3.929 0.020 . 2 . . . . . 70 GLY HA3 . 51495 1 761 . 1 . 1 70 70 GLY C C 13 170.811 0.3 . 1 . . . . . 70 GLY C . 51495 1 762 . 1 . 1 70 70 GLY CA C 13 45.348 0.3 . 1 . . . . . 70 GLY CA . 51495 1 763 . 1 . 1 70 70 GLY N N 15 104.740 0.3 . 1 . . . . . 70 GLY N . 51495 1 764 . 1 . 1 71 71 GLU H H 1 5.885 0.020 . 1 . . . . . 71 GLU H . 51495 1 765 . 1 . 1 71 71 GLU HA H 1 4.450 0.020 . 1 . . . . . 71 GLU HA . 51495 1 766 . 1 . 1 71 71 GLU HB2 H 1 2.173 0.020 . 2 . . . . . 71 GLU HB2 . 51495 1 767 . 1 . 1 71 71 GLU HB3 H 1 2.060 0.020 . 2 . . . . . 71 GLU HB3 . 51495 1 768 . 1 . 1 71 71 GLU HG2 H 1 2.459 0.020 . 2 . . . . . 71 GLU HG2 . 51495 1 769 . 1 . 1 71 71 GLU HG3 H 1 2.414 0.020 . 2 . . . . . 71 GLU HG3 . 51495 1 770 . 1 . 1 71 71 GLU CA C 13 58.652 0.3 . 1 . . . . . 71 GLU CA . 51495 1 771 . 1 . 1 71 71 GLU CB C 13 28.913 0.3 . 1 . . . . . 71 GLU CB . 51495 1 772 . 1 . 1 71 71 GLU CG C 13 36.275 0.3 . 1 . . . . . 71 GLU CG . 51495 1 773 . 1 . 1 71 71 GLU N N 15 117.181 0.3 . 1 . . . . . 71 GLU N . 51495 1 774 . 1 . 1 72 72 PHE H H 1 6.682 0.020 . 1 . . . . . 72 PHE H . 51495 1 775 . 1 . 1 72 72 PHE HA H 1 5.055 0.020 . 1 . . . . . 72 PHE HA . 51495 1 776 . 1 . 1 72 72 PHE HB2 H 1 1.846 0.020 . 2 . . . . . 72 PHE HB2 . 51495 1 777 . 1 . 1 72 72 PHE HB3 H 1 1.803 0.020 . 2 . . . . . 72 PHE HB3 . 51495 1 778 . 1 . 1 72 72 PHE C C 13 175.096 0.3 . 1 . . . . . 72 PHE C . 51495 1 779 . 1 . 1 72 72 PHE CA C 13 59.465 0.3 . 1 . . . . . 72 PHE CA . 51495 1 780 . 1 . 1 72 72 PHE CB C 13 39.608 0.3 . 1 . . . . . 72 PHE CB . 51495 1 781 . 1 . 1 72 72 PHE N N 15 119.845 0.3 . 1 . . . . . 72 PHE N . 51495 1 782 . 1 . 1 73 73 TRP H H 1 6.325 0.020 . 1 . . . . . 73 TRP H . 51495 1 783 . 1 . 1 73 73 TRP HA H 1 4.140 0.020 . 1 . . . . . 73 TRP HA . 51495 1 784 . 1 . 1 73 73 TRP HB2 H 1 3.120 0.020 . 2 . . . . . 73 TRP HB2 . 51495 1 785 . 1 . 1 73 73 TRP HB3 H 1 3.088 0.020 . 2 . . . . . 73 TRP HB3 . 51495 1 786 . 1 . 1 73 73 TRP CA C 13 57.840 0.3 . 1 . . . . . 73 TRP CA . 51495 1 787 . 1 . 1 73 73 TRP CB C 13 33.728 0.3 . 1 . . . . . 73 TRP CB . 51495 1 788 . 1 . 1 73 73 TRP N N 15 117.950 0.3 . 1 . . . . . 73 TRP N . 51495 1 789 . 1 . 1 74 74 VAL HA H 1 3.619 0.020 . 1 . . . . . 74 VAL HA . 51495 1 790 . 1 . 1 74 74 VAL HB H 1 1.806 0.020 . 1 . . . . . 74 VAL HB . 51495 1 791 . 1 . 1 74 74 VAL HG11 H 1 1.429 0.020 . 1 . . . . . 74 VAL HG1 . 51495 1 792 . 1 . 1 74 74 VAL HG12 H 1 1.429 0.020 . 1 . . . . . 74 VAL HG1 . 51495 1 793 . 1 . 1 74 74 VAL HG13 H 1 1.429 0.020 . 1 . . . . . 74 VAL HG1 . 51495 1 794 . 1 . 1 74 74 VAL HG21 H 1 1.470 0.020 . 1 . . . . . 74 VAL HG2 . 51495 1 795 . 1 . 1 74 74 VAL HG22 H 1 1.470 0.020 . 1 . . . . . 74 VAL HG2 . 51495 1 796 . 1 . 1 74 74 VAL HG23 H 1 1.470 0.020 . 1 . . . . . 74 VAL HG2 . 51495 1 797 . 1 . 1 74 74 VAL C C 13 177.583 0.3 . 1 . . . . . 74 VAL C . 51495 1 798 . 1 . 1 74 74 VAL CA C 13 64.385 0.3 . 1 . . . . . 74 VAL CA . 51495 1 799 . 1 . 1 74 74 VAL CB C 13 31.783 0.3 . 1 . . . . . 74 VAL CB . 51495 1 800 . 1 . 1 74 74 VAL CG1 C 13 26.706 0.3 . 1 . . . . . 74 VAL CG1 . 51495 1 801 . 1 . 1 74 74 VAL CG2 C 13 26.550 0.3 . 1 . . . . . 74 VAL CG2 . 51495 1 802 . 1 . 1 75 75 GLN H H 1 7.640 0.020 . 1 . . . . . 75 GLN H . 51495 1 803 . 1 . 1 75 75 GLN HA H 1 3.920 0.020 . 1 . . . . . 75 GLN HA . 51495 1 804 . 1 . 1 75 75 GLN HB2 H 1 2.128 0.020 . 2 . . . . . 75 GLN HB2 . 51495 1 805 . 1 . 1 75 75 GLN HB3 H 1 2.061 0.020 . 2 . . . . . 75 GLN HB3 . 51495 1 806 . 1 . 1 75 75 GLN HG2 H 1 2.468 0.020 . 2 . . . . . 75 GLN HG2 . 51495 1 807 . 1 . 1 75 75 GLN HG3 H 1 2.436 0.020 . 2 . . . . . 75 GLN HG3 . 51495 1 808 . 1 . 1 75 75 GLN C C 13 175.446 0.3 . 1 . . . . . 75 GLN C . 51495 1 809 . 1 . 1 75 75 GLN CA C 13 54.214 0.3 . 1 . . . . . 75 GLN CA . 51495 1 810 . 1 . 1 75 75 GLN CB C 13 29.828 0.3 . 1 . . . . . 75 GLN CB . 51495 1 811 . 1 . 1 75 75 GLN CG C 13 35.948 0.3 . 1 . . . . . 75 GLN CG . 51495 1 812 . 1 . 1 75 75 GLN N N 15 115.024 0.3 . 1 . . . . . 75 GLN N . 51495 1 813 . 1 . 1 76 76 TYR H H 1 6.422 0.020 . 1 . . . . . 76 TYR H . 51495 1 814 . 1 . 1 76 76 TYR HA H 1 4.696 0.020 . 1 . . . . . 76 TYR HA . 51495 1 815 . 1 . 1 76 76 TYR HB2 H 1 2.665 0.020 . 2 . . . . . 76 TYR HB2 . 51495 1 816 . 1 . 1 76 76 TYR HB3 H 1 2.717 0.020 . 2 . . . . . 76 TYR HB3 . 51495 1 817 . 1 . 1 76 76 TYR C C 13 177.936 0.3 . 1 . . . . . 76 TYR C . 51495 1 818 . 1 . 1 76 76 TYR CA C 13 54.545 0.3 . 1 . . . . . 76 TYR CA . 51495 1 819 . 1 . 1 76 76 TYR CB C 13 39.341 0.3 . 1 . . . . . 76 TYR CB . 51495 1 820 . 1 . 1 76 76 TYR N N 15 122.863 0.3 . 1 . . . . . 76 TYR N . 51495 1 821 . 1 . 1 77 77 THR H H 1 9.491 0.020 . 1 . . . . . 77 THR H . 51495 1 822 . 1 . 1 77 77 THR HA H 1 4.960 0.020 . 1 . . . . . 77 THR HA . 51495 1 823 . 1 . 1 77 77 THR HB H 1 3.938 0.020 . 1 . . . . . 77 THR HB . 51495 1 824 . 1 . 1 77 77 THR HG21 H 1 1.083 0.020 . 1 . . . . . 77 THR HG2 . 51495 1 825 . 1 . 1 77 77 THR HG22 H 1 1.083 0.020 . 1 . . . . . 77 THR HG2 . 51495 1 826 . 1 . 1 77 77 THR HG23 H 1 1.083 0.020 . 1 . . . . . 77 THR HG2 . 51495 1 827 . 1 . 1 77 77 THR C C 13 176.458 0.3 . 1 . . . . . 77 THR C . 51495 1 828 . 1 . 1 77 77 THR CA C 13 60.630 0.3 . 1 . . . . . 77 THR CA . 51495 1 829 . 1 . 1 77 77 THR CB C 13 71.506 0.3 . 1 . . . . . 77 THR CB . 51495 1 830 . 1 . 1 77 77 THR CG2 C 13 20.634 0.3 . 1 . . . . . 77 THR CG2 . 51495 1 831 . 1 . 1 77 77 THR N N 15 127.427 0.3 . 1 . . . . . 77 THR N . 51495 1 832 . 1 . 1 78 78 ALA H H 1 5.582 0.020 . 1 . . . . . 78 ALA H . 51495 1 833 . 1 . 1 78 78 ALA HA H 1 3.813 0.020 . 1 . . . . . 78 ALA HA . 51495 1 834 . 1 . 1 78 78 ALA HB1 H 1 1.087 0.020 . 1 . . . . . 78 ALA HB . 51495 1 835 . 1 . 1 78 78 ALA HB2 H 1 1.087 0.020 . 1 . . . . . 78 ALA HB . 51495 1 836 . 1 . 1 78 78 ALA HB3 H 1 1.087 0.020 . 1 . . . . . 78 ALA HB . 51495 1 837 . 1 . 1 78 78 ALA C C 13 179.759 0.3 . 1 . . . . . 78 ALA C . 51495 1 838 . 1 . 1 78 78 ALA CA C 13 54.697 0.3 . 1 . . . . . 78 ALA CA . 51495 1 839 . 1 . 1 78 78 ALA CB C 13 17.583 0.3 . 1 . . . . . 78 ALA CB . 51495 1 840 . 1 . 1 78 78 ALA N N 15 120.901 0.3 . 1 . . . . . 78 ALA N . 51495 1 841 . 1 . 1 79 79 GLN H H 1 7.298 0.020 . 1 . . . . . 79 GLN H . 51495 1 842 . 1 . 1 79 79 GLN HA H 1 3.852 0.020 . 1 . . . . . 79 GLN HA . 51495 1 843 . 1 . 1 79 79 GLN HB2 H 1 2.102 0.020 . 2 . . . . . 79 GLN HB2 . 51495 1 844 . 1 . 1 79 79 GLN HB3 H 1 2.081 0.020 . 2 . . . . . 79 GLN HB3 . 51495 1 845 . 1 . 1 79 79 GLN HG2 H 1 2.100 0.020 . 2 . . . . . 79 GLN HG2 . 51495 1 846 . 1 . 1 79 79 GLN HG3 H 1 2.062 0.020 . 2 . . . . . 79 GLN HG3 . 51495 1 847 . 1 . 1 79 79 GLN C C 13 177.486 0.3 . 1 . . . . . 79 GLN C . 51495 1 848 . 1 . 1 79 79 GLN CA C 13 57.496 0.3 . 1 . . . . . 79 GLN CA . 51495 1 849 . 1 . 1 79 79 GLN CB C 13 28.591 0.3 . 1 . . . . . 79 GLN CB . 51495 1 850 . 1 . 1 79 79 GLN CG C 13 33.449 0.3 . 1 . . . . . 79 GLN CG . 51495 1 851 . 1 . 1 79 79 GLN N N 15 118.588 0.3 . 1 . . . . . 79 GLN N . 51495 1 852 . 1 . 1 80 80 GLU H H 1 7.333 0.020 . 1 . . . . . 80 GLU H . 51495 1 853 . 1 . 1 80 80 GLU HA H 1 3.907 0.020 . 1 . . . . . 80 GLU HA . 51495 1 854 . 1 . 1 80 80 GLU HB2 H 1 2.080 0.020 . 1 . . . . . 80 GLU HB2 . 51495 1 855 . 1 . 1 80 80 GLU HG2 H 1 2.255 0.020 . 2 . . . . . 80 GLU HG2 . 51495 1 856 . 1 . 1 80 80 GLU HG3 H 1 2.190 0.020 . 2 . . . . . 80 GLU HG3 . 51495 1 857 . 1 . 1 80 80 GLU C C 13 175.380 0.3 . 1 . . . . . 80 GLU C . 51495 1 858 . 1 . 1 80 80 GLU CA C 13 55.372 0.3 . 1 . . . . . 80 GLU CA . 51495 1 859 . 1 . 1 80 80 GLU CB C 13 28.707 0.3 . 1 . . . . . 80 GLU CB . 51495 1 860 . 1 . 1 80 80 GLU CG C 13 36.376 0.3 . 1 . . . . . 80 GLU CG . 51495 1 861 . 1 . 1 80 80 GLU N N 15 116.778 0.3 . 1 . . . . . 80 GLU N . 51495 1 862 . 1 . 1 81 81 GLY H H 1 6.972 0.020 . 1 . . . . . 81 GLY H . 51495 1 863 . 1 . 1 81 81 GLY HA2 H 1 3.971 0.020 . 2 . . . . . 81 GLY HA2 . 51495 1 864 . 1 . 1 81 81 GLY HA3 H 1 3.932 0.020 . 2 . . . . . 81 GLY HA3 . 51495 1 865 . 1 . 1 81 81 GLY C C 13 175.380 0.3 . 1 . . . . . 81 GLY C . 51495 1 866 . 1 . 1 81 81 GLY CA C 13 44.875 0.3 . 1 . . . . . 81 GLY CA . 51495 1 867 . 1 . 1 81 81 GLY N N 15 103.015 0.3 . 1 . . . . . 81 GLY N . 51495 1 868 . 1 . 1 82 82 TYR H H 1 7.369 0.020 . 1 . . . . . 82 TYR H . 51495 1 869 . 1 . 1 82 82 TYR HA H 1 5.037 0.020 . 1 . . . . . 82 TYR HA . 51495 1 870 . 1 . 1 82 82 TYR HB2 H 1 3.232 0.020 . 2 . . . . . 82 TYR HB2 . 51495 1 871 . 1 . 1 82 82 TYR HB3 H 1 3.162 0.020 . 2 . . . . . 82 TYR HB3 . 51495 1 872 . 1 . 1 82 82 TYR C C 13 176.361 0.3 . 1 . . . . . 82 TYR C . 51495 1 873 . 1 . 1 82 82 TYR CA C 13 57.658 0.3 . 1 . . . . . 82 TYR CA . 51495 1 874 . 1 . 1 82 82 TYR CB C 13 39.013 0.3 . 1 . . . . . 82 TYR CB . 51495 1 875 . 1 . 1 82 82 TYR N N 15 118.425 0.3 . 1 . . . . . 82 TYR N . 51495 1 876 . 1 . 1 83 83 GLY H H 1 8.585 0.020 . 1 . . . . . 83 GLY H . 51495 1 877 . 1 . 1 83 83 GLY HA2 H 1 4.134 0.020 . 2 . . . . . 83 GLY HA2 . 51495 1 878 . 1 . 1 83 83 GLY HA3 H 1 3.836 0.020 . 2 . . . . . 83 GLY HA3 . 51495 1 879 . 1 . 1 83 83 GLY C C 13 175.657 0.3 . 1 . . . . . 83 GLY C . 51495 1 880 . 1 . 1 83 83 GLY CA C 13 47.962 0.3 . 1 . . . . . 83 GLY CA . 51495 1 881 . 1 . 1 83 83 GLY N N 15 110.285 0.3 . 1 . . . . . 83 GLY N . 51495 1 882 . 1 . 1 84 84 GLU H H 1 8.780 0.020 . 1 . . . . . 84 GLU H . 51495 1 883 . 1 . 1 84 84 GLU HA H 1 4.303 0.020 . 1 . . . . . 84 GLU HA . 51495 1 884 . 1 . 1 84 84 GLU HB2 H 1 2.108 0.020 . 2 . . . . . 84 GLU HB2 . 51495 1 885 . 1 . 1 84 84 GLU HB3 H 1 2.021 0.020 . 2 . . . . . 84 GLU HB3 . 51495 1 886 . 1 . 1 84 84 GLU HG2 H 1 2.406 0.020 . 2 . . . . . 84 GLU HG2 . 51495 1 887 . 1 . 1 84 84 GLU HG3 H 1 2.347 0.020 . 2 . . . . . 84 GLU HG3 . 51495 1 888 . 1 . 1 84 84 GLU C C 13 179.171 0.3 . 1 . . . . . 84 GLU C . 51495 1 889 . 1 . 1 84 84 GLU CA C 13 59.960 0.3 . 1 . . . . . 84 GLU CA . 51495 1 890 . 1 . 1 84 84 GLU CB C 13 29.199 0.3 . 1 . . . . . 84 GLU CB . 51495 1 891 . 1 . 1 84 84 GLU CG C 13 36.221 0.3 . 1 . . . . . 84 GLU CG . 51495 1 892 . 1 . 1 84 84 GLU N N 15 120.747 0.3 . 1 . . . . . 84 GLU N . 51495 1 893 . 1 . 1 85 85 MET H H 1 7.595 0.020 . 1 . . . . . 85 MET H . 51495 1 894 . 1 . 1 85 85 MET HA H 1 4.400 0.020 . 1 . . . . . 85 MET HA . 51495 1 895 . 1 . 1 85 85 MET HB2 H 1 2.844 0.020 . 2 . . . . . 85 MET HB2 . 51495 1 896 . 1 . 1 85 85 MET HB3 H 1 2.814 0.020 . 2 . . . . . 85 MET HB3 . 51495 1 897 . 1 . 1 85 85 MET HG2 H 1 2.056 0.020 . 2 . . . . . 85 MET HG2 . 51495 1 898 . 1 . 1 85 85 MET HG3 H 1 2.023 0.020 . 2 . . . . . 85 MET HG3 . 51495 1 899 . 1 . 1 85 85 MET C C 13 180.295 0.3 . 1 . . . . . 85 MET C . 51495 1 900 . 1 . 1 85 85 MET CA C 13 59.793 0.3 . 1 . . . . . 85 MET CA . 51495 1 901 . 1 . 1 85 85 MET CB C 13 33.218 0.3 . 1 . . . . . 85 MET CB . 51495 1 902 . 1 . 1 85 85 MET CG C 13 32.263 0.3 . 1 . . . . . 85 MET CG . 51495 1 903 . 1 . 1 85 85 MET N N 15 116.202 0.3 . 1 . . . . . 85 MET N . 51495 1 904 . 1 . 1 86 86 LEU HA H 1 5.830 0.020 . 1 . . . . . 86 LEU HA . 51495 1 905 . 1 . 1 86 86 LEU HB2 H 1 2.863 0.020 . 2 . . . . . 86 LEU HB2 . 51495 1 906 . 1 . 1 86 86 LEU HB3 H 1 2.808 0.020 . 2 . . . . . 86 LEU HB3 . 51495 1 907 . 1 . 1 86 86 LEU HG H 1 1.582 0.020 . 1 . . . . . 86 LEU HG . 51495 1 908 . 1 . 1 86 86 LEU HD11 H 1 0.855 0.020 . 1 . . . . . 86 LEU HD1 . 51495 1 909 . 1 . 1 86 86 LEU HD12 H 1 0.855 0.020 . 1 . . . . . 86 LEU HD1 . 51495 1 910 . 1 . 1 86 86 LEU HD13 H 1 0.855 0.020 . 1 . . . . . 86 LEU HD1 . 51495 1 911 . 1 . 1 86 86 LEU HD21 H 1 0.813 0.020 . 1 . . . . . 86 LEU HD2 . 51495 1 912 . 1 . 1 86 86 LEU HD22 H 1 0.813 0.020 . 1 . . . . . 86 LEU HD2 . 51495 1 913 . 1 . 1 86 86 LEU HD23 H 1 0.813 0.020 . 1 . . . . . 86 LEU HD2 . 51495 1 914 . 1 . 1 86 86 LEU C C 13 181.453 0.3 . 1 . . . . . 86 LEU C . 51495 1 915 . 1 . 1 86 86 LEU CA C 13 59.798 0.3 . 1 . . . . . 86 LEU CA . 51495 1 916 . 1 . 1 86 86 LEU CB C 13 43.513 0.3 . 1 . . . . . 86 LEU CB . 51495 1 917 . 1 . 1 86 86 LEU CG C 13 28.179 0.3 . 1 . . . . . 86 LEU CG . 51495 1 918 . 1 . 1 86 86 LEU CD1 C 13 24.451 0.3 . 1 . . . . . 86 LEU CD1 . 51495 1 919 . 1 . 1 86 86 LEU CD2 C 13 25.625 0.3 . 1 . . . . . 86 LEU CD2 . 51495 1 920 . 1 . 1 87 87 ASP H H 1 9.119 0.020 . 1 . . . . . 87 ASP H . 51495 1 921 . 1 . 1 87 87 ASP HA H 1 4.328 0.020 . 1 . . . . . 87 ASP HA . 51495 1 922 . 1 . 1 87 87 ASP HB2 H 1 3.068 0.020 . 2 . . . . . 87 ASP HB2 . 51495 1 923 . 1 . 1 87 87 ASP HB3 H 1 2.980 0.020 . 2 . . . . . 87 ASP HB3 . 51495 1 924 . 1 . 1 87 87 ASP C C 13 178.403 0.3 . 1 . . . . . 87 ASP C . 51495 1 925 . 1 . 1 87 87 ASP CA C 13 57.735 0.3 . 1 . . . . . 87 ASP CA . 51495 1 926 . 1 . 1 87 87 ASP CB C 13 40.470 0.3 . 1 . . . . . 87 ASP CB . 51495 1 927 . 1 . 1 87 87 ASP N N 15 122.146 0.3 . 1 . . . . . 87 ASP N . 51495 1 928 . 1 . 1 88 88 MET H H 1 8.012 0.020 . 1 . . . . . 88 MET H . 51495 1 929 . 1 . 1 88 88 MET HA H 1 4.917 0.020 . 1 . . . . . 88 MET HA . 51495 1 930 . 1 . 1 88 88 MET HB2 H 1 2.570 0.020 . 2 . . . . . 88 MET HB2 . 51495 1 931 . 1 . 1 88 88 MET HB3 H 1 2.507 0.020 . 2 . . . . . 88 MET HB3 . 51495 1 932 . 1 . 1 88 88 MET HG2 H 1 3.120 0.020 . 2 . . . . . 88 MET HG2 . 51495 1 933 . 1 . 1 88 88 MET HG3 H 1 3.099 0.020 . 2 . . . . . 88 MET HG3 . 51495 1 934 . 1 . 1 88 88 MET C C 13 177.553 0.3 . 1 . . . . . 88 MET C . 51495 1 935 . 1 . 1 88 88 MET CA C 13 56.830 0.3 . 1 . . . . . 88 MET CA . 51495 1 936 . 1 . 1 88 88 MET CB C 13 33.316 0.3 . 1 . . . . . 88 MET CB . 51495 1 937 . 1 . 1 88 88 MET CG C 13 32.215 0.3 . 1 . . . . . 88 MET CG . 51495 1 938 . 1 . 1 88 88 MET N N 15 115.623 0.3 . 1 . . . . . 88 MET N . 51495 1 939 . 1 . 1 89 89 SER H H 1 8.498 0.020 . 1 . . . . . 89 SER H . 51495 1 940 . 1 . 1 89 89 SER HA H 1 4.804 0.020 . 1 . . . . . 89 SER HA . 51495 1 941 . 1 . 1 89 89 SER HB2 H 1 5.660 0.020 . 2 . . . . . 89 SER HB2 . 51495 1 942 . 1 . 1 89 89 SER HB3 H 1 5.574 0.020 . 2 . . . . . 89 SER HB3 . 51495 1 943 . 1 . 1 89 89 SER C C 13 173.910 0.3 . 1 . . . . . 89 SER C . 51495 1 944 . 1 . 1 89 89 SER CA C 13 61.084 0.3 . 1 . . . . . 89 SER CA . 51495 1 945 . 1 . 1 89 89 SER CB C 13 66.449 0.3 . 1 . . . . . 89 SER CB . 51495 1 946 . 1 . 1 89 89 SER N N 15 114.952 0.3 . 1 . . . . . 89 SER N . 51495 1 947 . 1 . 1 90 90 GLY H H 1 8.038 0.020 . 1 . . . . . 90 GLY H . 51495 1 948 . 1 . 1 90 90 GLY HA2 H 1 5.110 0.020 . 2 . . . . . 90 GLY HA2 . 51495 1 949 . 1 . 1 90 90 GLY HA3 H 1 4.292 0.020 . 2 . . . . . 90 GLY HA3 . 51495 1 950 . 1 . 1 90 90 GLY C C 13 173.831 0.3 . 1 . . . . . 90 GLY C . 51495 1 951 . 1 . 1 90 90 GLY CA C 13 45.352 0.3 . 1 . . . . . 90 GLY CA . 51495 1 952 . 1 . 1 90 90 GLY N N 15 106.323 0.3 . 1 . . . . . 90 GLY N . 51495 1 953 . 1 . 1 91 91 ASP H H 1 9.069 0.020 . 1 . . . . . 91 ASP H . 51495 1 954 . 1 . 1 91 91 ASP HA H 1 5.428 0.020 . 1 . . . . . 91 ASP HA . 51495 1 955 . 1 . 1 91 91 ASP HB2 H 1 3.147 0.020 . 2 . . . . . 91 ASP HB2 . 51495 1 956 . 1 . 1 91 91 ASP HB3 H 1 3.006 0.020 . 2 . . . . . 91 ASP HB3 . 51495 1 957 . 1 . 1 91 91 ASP C C 13 175.870 0.3 . 1 . . . . . 91 ASP C . 51495 1 958 . 1 . 1 91 91 ASP CA C 13 55.364 0.3 . 1 . . . . . 91 ASP CA . 51495 1 959 . 1 . 1 91 91 ASP CB C 13 42.721 0.3 . 1 . . . . . 91 ASP CB . 51495 1 960 . 1 . 1 91 91 ASP N N 15 119.111 0.3 . 1 . . . . . 91 ASP N . 51495 1 961 . 1 . 1 92 92 THR H H 1 7.460 0.020 . 1 . . . . . 92 THR H . 51495 1 962 . 1 . 1 92 92 THR HA H 1 4.390 0.020 . 1 . . . . . 92 THR HA . 51495 1 963 . 1 . 1 92 92 THR HB H 1 4.366 0.020 . 1 . . . . . 92 THR HB . 51495 1 964 . 1 . 1 92 92 THR HG21 H 1 1.355 0.020 . 1 . . . . . 92 THR HG2 . 51495 1 965 . 1 . 1 92 92 THR HG22 H 1 1.355 0.020 . 1 . . . . . 92 THR HG2 . 51495 1 966 . 1 . 1 92 92 THR HG23 H 1 1.355 0.020 . 1 . . . . . 92 THR HG2 . 51495 1 967 . 1 . 1 92 92 THR C C 13 172.706 0.3 . 1 . . . . . 92 THR C . 51495 1 968 . 1 . 1 92 92 THR CA C 13 58.645 0.3 . 1 . . . . . 92 THR CA . 51495 1 969 . 1 . 1 92 92 THR CB C 13 72.839 0.3 . 1 . . . . . 92 THR CB . 51495 1 970 . 1 . 1 92 92 THR CG2 C 13 21.883 0.3 . 1 . . . . . 92 THR CG2 . 51495 1 971 . 1 . 1 92 92 THR N N 15 107.636 0.3 . 1 . . . . . 92 THR N . 51495 1 972 . 1 . 1 93 93 LEU H H 1 8.735 0.020 . 1 . . . . . 93 LEU H . 51495 1 973 . 1 . 1 93 93 LEU HA H 1 4.946 0.020 . 1 . . . . . 93 LEU HA . 51495 1 974 . 1 . 1 93 93 LEU HB2 H 1 1.773 0.020 . 2 . . . . . 93 LEU HB2 . 51495 1 975 . 1 . 1 93 93 LEU HB3 H 1 1.826 0.020 . 2 . . . . . 93 LEU HB3 . 51495 1 976 . 1 . 1 93 93 LEU HG H 1 1.179 0.020 . 1 . . . . . 93 LEU HG . 51495 1 977 . 1 . 1 93 93 LEU HD11 H 1 0.910 0.020 . 1 . . . . . 93 LEU HD1 . 51495 1 978 . 1 . 1 93 93 LEU HD12 H 1 0.910 0.020 . 1 . . . . . 93 LEU HD1 . 51495 1 979 . 1 . 1 93 93 LEU HD13 H 1 0.910 0.020 . 1 . . . . . 93 LEU HD1 . 51495 1 980 . 1 . 1 93 93 LEU HD21 H 1 0.833 0.020 . 1 . . . . . 93 LEU HD2 . 51495 1 981 . 1 . 1 93 93 LEU HD22 H 1 0.833 0.020 . 1 . . . . . 93 LEU HD2 . 51495 1 982 . 1 . 1 93 93 LEU HD23 H 1 0.833 0.020 . 1 . . . . . 93 LEU HD2 . 51495 1 983 . 1 . 1 93 93 LEU C C 13 174.046 0.3 . 1 . . . . . 93 LEU C . 51495 1 984 . 1 . 1 93 93 LEU CA C 13 59.629 0.3 . 1 . . . . . 93 LEU CA . 51495 1 985 . 1 . 1 93 93 LEU CB C 13 39.181 0.3 . 1 . . . . . 93 LEU CB . 51495 1 986 . 1 . 1 93 93 LEU CG C 13 27.202 0.3 . 1 . . . . . 93 LEU CG . 51495 1 987 . 1 . 1 93 93 LEU CD1 C 13 17.204 0.3 . 1 . . . . . 93 LEU CD1 . 51495 1 988 . 1 . 1 93 93 LEU CD2 C 13 12.517 0.3 . 1 . . . . . 93 LEU CD2 . 51495 1 989 . 1 . 1 93 93 LEU N N 15 119.518 0.3 . 1 . . . . . 93 LEU N . 51495 1 990 . 1 . 1 94 94 PRO HA H 1 4.187 0.020 . 1 . . . . . 94 PRO HA . 51495 1 991 . 1 . 1 94 94 PRO HB2 H 1 2.122 0.020 . 1 . . . . . 94 PRO HB2 . 51495 1 992 . 1 . 1 94 94 PRO HB3 H 1 2.122 0.020 . 1 . . . . . 94 PRO HB3 . 51495 1 993 . 1 . 1 94 94 PRO HG2 H 1 2.241 0.020 . 2 . . . . . 94 PRO HG2 . 51495 1 994 . 1 . 1 94 94 PRO HG3 H 1 1.968 0.020 . 2 . . . . . 94 PRO HG3 . 51495 1 995 . 1 . 1 94 94 PRO HD2 H 1 3.959 0.020 . 2 . . . . . 94 PRO HD2 . 51495 1 996 . 1 . 1 94 94 PRO HD3 H 1 2.824 0.020 . 2 . . . . . 94 PRO HD3 . 51495 1 997 . 1 . 1 94 94 PRO CA C 13 66.549 0.3 . 1 . . . . . 94 PRO CA . 51495 1 998 . 1 . 1 94 94 PRO CB C 13 30.323 0.3 . 1 . . . . . 94 PRO CB . 51495 1 999 . 1 . 1 94 94 PRO CG C 13 28.583 0.3 . 1 . . . . . 94 PRO CG . 51495 1 1000 . 1 . 1 94 94 PRO CD C 13 49.130 0.3 . 1 . . . . . 94 PRO CD . 51495 1 1001 . 1 . 1 95 95 GLU H H 1 6.882 0.020 . 1 . . . . . 95 GLU H . 51495 1 1002 . 1 . 1 95 95 GLU HA H 1 4.569 0.020 . 1 . . . . . 95 GLU HA . 51495 1 1003 . 1 . 1 95 95 GLU HB2 H 1 2.002 0.020 . 2 . . . . . 95 GLU HB2 . 51495 1 1004 . 1 . 1 95 95 GLU HB3 H 1 1.886 0.020 . 2 . . . . . 95 GLU HB3 . 51495 1 1005 . 1 . 1 95 95 GLU HG2 H 1 2.292 0.020 . 2 . . . . . 95 GLU HG2 . 51495 1 1006 . 1 . 1 95 95 GLU HG3 H 1 2.677 0.020 . 2 . . . . . 95 GLU HG3 . 51495 1 1007 . 1 . 1 95 95 GLU C C 13 178.752 0.3 . 1 . . . . . 95 GLU C . 51495 1 1008 . 1 . 1 95 95 GLU CA C 13 59.463 0.3 . 1 . . . . . 95 GLU CA . 51495 1 1009 . 1 . 1 95 95 GLU CB C 13 31.667 0.3 . 1 . . . . . 95 GLU CB . 51495 1 1010 . 1 . 1 95 95 GLU CG C 13 36.025 0.3 . 1 . . . . . 95 GLU CG . 51495 1 1011 . 1 . 1 95 95 GLU N N 15 115.927 0.3 . 1 . . . . . 95 GLU N . 51495 1 1012 . 1 . 1 96 96 PHE H H 1 8.753 0.020 . 1 . . . . . 96 PHE H . 51495 1 1013 . 1 . 1 96 96 PHE HA H 1 5.565 0.020 . 1 . . . . . 96 PHE HA . 51495 1 1014 . 1 . 1 96 96 PHE HB2 H 1 3.727 0.020 . 2 . . . . . 96 PHE HB2 . 51495 1 1015 . 1 . 1 96 96 PHE HB3 H 1 3.626 0.020 . 2 . . . . . 96 PHE HB3 . 51495 1 1016 . 1 . 1 96 96 PHE C C 13 180.865 0.3 . 1 . . . . . 96 PHE C . 51495 1 1017 . 1 . 1 96 96 PHE CA C 13 62.086 0.3 . 1 . . . . . 96 PHE CA . 51495 1 1018 . 1 . 1 96 96 PHE CB C 13 41.737 0.3 . 1 . . . . . 96 PHE CB . 51495 1 1019 . 1 . 1 96 96 PHE N N 15 119.799 0.3 . 1 . . . . . 96 PHE N . 51495 1 1020 . 1 . 1 97 97 LEU HA H 1 5.513 0.020 . 1 . . . . . 97 LEU HA . 51495 1 1021 . 1 . 1 97 97 LEU HB2 H 1 2.088 0.020 . 2 . . . . . 97 LEU HB2 . 51495 1 1022 . 1 . 1 97 97 LEU HB3 H 1 1.960 0.020 . 2 . . . . . 97 LEU HB3 . 51495 1 1023 . 1 . 1 97 97 LEU HG H 1 1.086 0.020 . 1 . . . . . 97 LEU HG . 51495 1 1024 . 1 . 1 97 97 LEU HD11 H 1 0.598 0.020 . 1 . . . . . 97 LEU HD1 . 51495 1 1025 . 1 . 1 97 97 LEU HD12 H 1 0.598 0.020 . 1 . . . . . 97 LEU HD1 . 51495 1 1026 . 1 . 1 97 97 LEU HD13 H 1 0.598 0.020 . 1 . . . . . 97 LEU HD1 . 51495 1 1027 . 1 . 1 97 97 LEU HD21 H 1 0.960 0.020 . 1 . . . . . 97 LEU HD2 . 51495 1 1028 . 1 . 1 97 97 LEU HD22 H 1 0.960 0.020 . 1 . . . . . 97 LEU HD2 . 51495 1 1029 . 1 . 1 97 97 LEU HD23 H 1 0.960 0.020 . 1 . . . . . 97 LEU HD2 . 51495 1 1030 . 1 . 1 97 97 LEU C C 13 180.537 0.3 . 1 . . . . . 97 LEU C . 51495 1 1031 . 1 . 1 97 97 LEU CA C 13 58.973 0.3 . 1 . . . . . 97 LEU CA . 51495 1 1032 . 1 . 1 97 97 LEU CB C 13 42.506 0.3 . 1 . . . . . 97 LEU CB . 51495 1 1033 . 1 . 1 97 97 LEU CG C 13 27.179 0.3 . 1 . . . . . 97 LEU CG . 51495 1 1034 . 1 . 1 97 97 LEU CD1 C 13 25.620 0.3 . 1 . . . . . 97 LEU CD1 . 51495 1 1035 . 1 . 1 97 97 LEU CD2 C 13 23.161 0.3 . 1 . . . . . 97 LEU CD2 . 51495 1 1036 . 1 . 1 98 98 GLU H H 1 8.710 0.020 . 1 . . . . . 98 GLU H . 51495 1 1037 . 1 . 1 98 98 GLU HA H 1 5.051 0.020 . 1 . . . . . 98 GLU HA . 51495 1 1038 . 1 . 1 98 98 GLU HB2 H 1 2.933 0.020 . 2 . . . . . 98 GLU HB2 . 51495 1 1039 . 1 . 1 98 98 GLU HB3 H 1 2.746 0.020 . 2 . . . . . 98 GLU HB3 . 51495 1 1040 . 1 . 1 98 98 GLU HG2 H 1 3.147 0.020 . 2 . . . . . 98 GLU HG2 . 51495 1 1041 . 1 . 1 98 98 GLU HG3 H 1 2.868 0.020 . 2 . . . . . 98 GLU HG3 . 51495 1 1042 . 1 . 1 98 98 GLU C C 13 178.680 0.3 . 1 . . . . . 98 GLU C . 51495 1 1043 . 1 . 1 98 98 GLU CA C 13 60.275 0.3 . 1 . . . . . 98 GLU CA . 51495 1 1044 . 1 . 1 98 98 GLU CB C 13 30.682 0.3 . 1 . . . . . 98 GLU CB . 51495 1 1045 . 1 . 1 98 98 GLU CG C 13 37.602 0.3 . 1 . . . . . 98 GLU CG . 51495 1 1046 . 1 . 1 98 98 GLU N N 15 118.265 0.3 . 1 . . . . . 98 GLU N . 51495 1 1047 . 1 . 1 99 99 ASN H H 1 8.795 0.020 . 1 . . . . . 99 ASN H . 51495 1 1048 . 1 . 1 99 99 ASN HA H 1 4.595 0.020 . 1 . . . . . 99 ASN HA . 51495 1 1049 . 1 . 1 99 99 ASN HB2 H 1 2.546 0.020 . 2 . . . . . 99 ASN HB2 . 51495 1 1050 . 1 . 1 99 99 ASN HB3 H 1 2.481 0.020 . 2 . . . . . 99 ASN HB3 . 51495 1 1051 . 1 . 1 99 99 ASN C C 13 177.907 0.3 . 1 . . . . . 99 ASN C . 51495 1 1052 . 1 . 1 99 99 ASN CA C 13 54.705 0.3 . 1 . . . . . 99 ASN CA . 51495 1 1053 . 1 . 1 99 99 ASN CB C 13 41.659 0.3 . 1 . . . . . 99 ASN CB . 51495 1 1054 . 1 . 1 99 99 ASN N N 15 117.787 0.3 . 1 . . . . . 99 ASN N . 51495 1 1055 . 1 . 1 105 105 ALA HA H 1 4.290 0.020 . 1 . . . . . 105 ALA HA . 51495 1 1056 . 1 . 1 105 105 ALA HB1 H 1 1.421 0.020 . 1 . . . . . 105 ALA HB . 51495 1 1057 . 1 . 1 105 105 ALA HB2 H 1 1.421 0.020 . 1 . . . . . 105 ALA HB . 51495 1 1058 . 1 . 1 105 105 ALA HB3 H 1 1.421 0.020 . 1 . . . . . 105 ALA HB . 51495 1 1059 . 1 . 1 105 105 ALA C C 13 176.739 0.3 . 1 . . . . . 105 ALA C . 51495 1 1060 . 1 . 1 105 105 ALA CA C 13 52.407 0.3 . 1 . . . . . 105 ALA CA . 51495 1 1061 . 1 . 1 105 105 ALA CB C 13 19.401 0.3 . 1 . . . . . 105 ALA CB . 51495 1 1062 . 1 . 1 106 106 ARG H H 1 7.893 0.020 . 1 . . . . . 106 ARG H . 51495 1 1063 . 1 . 1 106 106 ARG HA H 1 4.614 0.020 . 1 . . . . . 106 ARG HA . 51495 1 1064 . 1 . 1 106 106 ARG HB2 H 1 2.015 0.020 . 2 . . . . . 106 ARG HB2 . 51495 1 1065 . 1 . 1 106 106 ARG HB3 H 1 1.881 0.020 . 2 . . . . . 106 ARG HB3 . 51495 1 1066 . 1 . 1 106 106 ARG HG2 H 1 1.810 0.020 . 2 . . . . . 106 ARG HG2 . 51495 1 1067 . 1 . 1 106 106 ARG HG3 H 1 1.761 0.020 . 2 . . . . . 106 ARG HG3 . 51495 1 1068 . 1 . 1 106 106 ARG HD2 H 1 2.809 0.020 . 1 . . . . . 106 ARG HD2 . 51495 1 1069 . 1 . 1 106 106 ARG HD3 H 1 2.809 0.020 . 1 . . . . . 106 ARG HD3 . 51495 1 1070 . 1 . 1 106 106 ARG C C 13 181.208 0.3 . 1 . . . . . 106 ARG C . 51495 1 1071 . 1 . 1 106 106 ARG CA C 13 58.001 0.3 . 1 . . . . . 106 ARG CA . 51495 1 1072 . 1 . 1 106 106 ARG CB C 13 31.373 0.3 . 1 . . . . . 106 ARG CB . 51495 1 1073 . 1 . 1 106 106 ARG CG C 13 29.677 0.3 . 1 . . . . . 106 ARG CG . 51495 1 1074 . 1 . 1 106 106 ARG CD C 13 41.902 0.3 . 1 . . . . . 106 ARG CD . 51495 1 1075 . 1 . 1 106 106 ARG N N 15 125.482 0.3 . 1 . . . . . 106 ARG N . 51495 1 1076 . 1 . 1 108 108 GLY HA3 H 1 3.828 0.020 . 1 . . . . . 108 GLY HA3 . 51495 1 1077 . 1 . 1 108 108 GLY C C 13 172.299 0.3 . 1 . . . . . 108 GLY C . 51495 1 1078 . 1 . 1 108 108 GLY CA C 13 43.392 0.3 . 1 . . . . . 108 GLY CA . 51495 1 1079 . 1 . 1 109 109 VAL H H 1 5.700 0.020 . 1 . . . . . 109 VAL H . 51495 1 1080 . 1 . 1 109 109 VAL HA H 1 3.784 0.020 . 1 . . . . . 109 VAL HA . 51495 1 1081 . 1 . 1 109 109 VAL HB H 1 0.624 0.020 . 1 . . . . . 109 VAL HB . 51495 1 1082 . 1 . 1 109 109 VAL HG11 H 1 0.764 0.020 . 1 . . . . . 109 VAL HG1 . 51495 1 1083 . 1 . 1 109 109 VAL HG12 H 1 0.764 0.020 . 1 . . . . . 109 VAL HG1 . 51495 1 1084 . 1 . 1 109 109 VAL HG13 H 1 0.764 0.020 . 1 . . . . . 109 VAL HG1 . 51495 1 1085 . 1 . 1 109 109 VAL HG21 H 1 0.895 0.020 . 1 . . . . . 109 VAL HG2 . 51495 1 1086 . 1 . 1 109 109 VAL HG22 H 1 0.895 0.020 . 1 . . . . . 109 VAL HG2 . 51495 1 1087 . 1 . 1 109 109 VAL HG23 H 1 0.895 0.020 . 1 . . . . . 109 VAL HG2 . 51495 1 1088 . 1 . 1 109 109 VAL CA C 13 65.318 0.3 . 1 . . . . . 109 VAL CA . 51495 1 1089 . 1 . 1 109 109 VAL CB C 13 30.823 0.3 . 1 . . . . . 109 VAL CB . 51495 1 1090 . 1 . 1 109 109 VAL CG1 C 13 16.873 0.3 . 1 . . . . . 109 VAL CG1 . 51495 1 1091 . 1 . 1 109 109 VAL CG2 C 13 15.324 0.3 . 1 . . . . . 109 VAL CG2 . 51495 1 1092 . 1 . 1 109 109 VAL N N 15 118.581 0.3 . 1 . . . . . 109 VAL N . 51495 1 1093 . 1 . 1 110 110 SER H H 1 5.918 0.020 . 1 . . . . . 110 SER H . 51495 1 1094 . 1 . 1 110 110 SER HA H 1 3.670 0.020 . 1 . . . . . 110 SER HA . 51495 1 1095 . 1 . 1 110 110 SER HB2 H 1 2.944 0.020 . 2 . . . . . 110 SER HB2 . 51495 1 1096 . 1 . 1 110 110 SER HB3 H 1 2.760 0.020 . 2 . . . . . 110 SER HB3 . 51495 1 1097 . 1 . 1 110 110 SER CA C 13 59.134 0.3 . 1 . . . . . 110 SER CA . 51495 1 1098 . 1 . 1 110 110 SER CB C 13 63.265 0.3 . 1 . . . . . 110 SER CB . 51495 1 1099 . 1 . 1 110 110 SER N N 15 112.366 0.3 . 1 . . . . . 110 SER N . 51495 1 1100 . 1 . 1 112 112 PRO HA H 1 4.860 0.020 . 1 . . . . . 112 PRO HA . 51495 1 1101 . 1 . 1 112 112 PRO HB2 H 1 1.936 0.020 . 2 . . . . . 112 PRO HB2 . 51495 1 1102 . 1 . 1 112 112 PRO HB3 H 1 2.466 0.020 . 2 . . . . . 112 PRO HB3 . 51495 1 1103 . 1 . 1 112 112 PRO HG2 H 1 2.356 0.020 . 1 . . . . . 112 PRO HG2 . 51495 1 1104 . 1 . 1 112 112 PRO CA C 13 63.404 0.3 . 1 . . . . . 112 PRO CA . 51495 1 1105 . 1 . 1 112 112 PRO CB C 13 32.560 0.3 . 1 . . . . . 112 PRO CB . 51495 1 1106 . 1 . 1 112 112 PRO CG C 13 29.789 0.3 . 1 . . . . . 112 PRO CG . 51495 1 1107 . 1 . 1 112 112 PRO CD C 13 42.439 0.3 . 1 . . . . . 112 PRO CD . 51495 1 1108 . 1 . 1 113 113 LYS H H 1 8.600 0.020 . 1 . . . . . 113 LYS H . 51495 1 1109 . 1 . 1 113 113 LYS HA H 1 4.652 0.020 . 1 . . . . . 113 LYS HA . 51495 1 1110 . 1 . 1 113 113 LYS C C 13 175.868 0.3 . 1 . . . . . 113 LYS C . 51495 1 1111 . 1 . 1 113 113 LYS CA C 13 53.558 0.3 . 1 . . . . . 113 LYS CA . 51495 1 1112 . 1 . 1 113 113 LYS CB C 13 38.216 0.3 . 1 . . . . . 113 LYS CB . 51495 1 1113 . 1 . 1 113 113 LYS N N 15 120.984 0.3 . 1 . . . . . 113 LYS N . 51495 1 1114 . 1 . 1 114 114 LEU H H 1 8.363 0.020 . 1 . . . . . 114 LEU H . 51495 1 1115 . 1 . 1 114 114 LEU HA H 1 4.352 0.020 . 1 . . . . . 114 LEU HA . 51495 1 1116 . 1 . 1 114 114 LEU HB2 H 1 1.654 0.020 . 2 . . . . . 114 LEU HB2 . 51495 1 1117 . 1 . 1 114 114 LEU HB3 H 1 1.600 0.020 . 2 . . . . . 114 LEU HB3 . 51495 1 1118 . 1 . 1 114 114 LEU HG H 1 1.472 0.020 . 1 . . . . . 114 LEU HG . 51495 1 1119 . 1 . 1 114 114 LEU HD11 H 1 0.873 0.020 . 1 . . . . . 114 LEU HD1 . 51495 1 1120 . 1 . 1 114 114 LEU HD12 H 1 0.873 0.020 . 1 . . . . . 114 LEU HD1 . 51495 1 1121 . 1 . 1 114 114 LEU HD13 H 1 0.873 0.020 . 1 . . . . . 114 LEU HD1 . 51495 1 1122 . 1 . 1 114 114 LEU HD21 H 1 0.683 0.020 . 1 . . . . . 114 LEU HD2 . 51495 1 1123 . 1 . 1 114 114 LEU HD22 H 1 0.683 0.020 . 1 . . . . . 114 LEU HD2 . 51495 1 1124 . 1 . 1 114 114 LEU HD23 H 1 0.683 0.020 . 1 . . . . . 114 LEU HD2 . 51495 1 1125 . 1 . 1 114 114 LEU C C 13 177.293 0.3 . 1 . . . . . 114 LEU C . 51495 1 1126 . 1 . 1 114 114 LEU CA C 13 55.364 0.3 . 1 . . . . . 114 LEU CA . 51495 1 1127 . 1 . 1 114 114 LEU CB C 13 42.374 0.3 . 1 . . . . . 114 LEU CB . 51495 1 1128 . 1 . 1 114 114 LEU CG C 13 27.517 0.3 . 1 . . . . . 114 LEU CG . 51495 1 1129 . 1 . 1 114 114 LEU CD1 C 13 23.147 0.3 . 1 . . . . . 114 LEU CD1 . 51495 1 1130 . 1 . 1 114 114 LEU CD2 C 13 24.720 0.3 . 1 . . . . . 114 LEU CD2 . 51495 1 1131 . 1 . 1 114 114 LEU N N 15 123.247 0.3 . 1 . . . . . 114 LEU N . 51495 1 1132 . 1 . 1 115 115 GLN H H 1 8.210 0.020 . 1 . . . . . 115 GLN H . 51495 1 1133 . 1 . 1 115 115 GLN HA H 1 4.192 0.020 . 1 . . . . . 115 GLN HA . 51495 1 1134 . 1 . 1 115 115 GLN HB2 H 1 1.949 0.020 . 2 . . . . . 115 GLN HB2 . 51495 1 1135 . 1 . 1 115 115 GLN HB3 H 1 1.893 0.020 . 2 . . . . . 115 GLN HB3 . 51495 1 1136 . 1 . 1 115 115 GLN HG2 H 1 2.209 0.020 . 2 . . . . . 115 GLN HG2 . 51495 1 1137 . 1 . 1 115 115 GLN HG3 H 1 2.131 0.020 . 2 . . . . . 115 GLN HG3 . 51495 1 1138 . 1 . 1 115 115 GLN C C 13 176.183 0.3 . 1 . . . . . 115 GLN C . 51495 1 1139 . 1 . 1 115 115 GLN CA C 13 56.672 0.3 . 1 . . . . . 115 GLN CA . 51495 1 1140 . 1 . 1 115 115 GLN CB C 13 30.047 0.3 . 1 . . . . . 115 GLN CB . 51495 1 1141 . 1 . 1 115 115 GLN CG C 13 35.947 0.3 . 1 . . . . . 115 GLN CG . 51495 1 1142 . 1 . 1 115 115 GLN N N 15 120.245 0.3 . 1 . . . . . 115 GLN N . 51495 1 1143 . 1 . 1 119 119 PHE H H 1 8.330 0.020 . 1 . . . . . 119 PHE H . 51495 1 1144 . 1 . 1 119 119 PHE HA H 1 4.315 0.020 . 1 . . . . . 119 PHE HA . 51495 1 1145 . 1 . 1 119 119 PHE HB2 H 1 3.111 0.020 . 1 . . . . . 119 PHE HB2 . 51495 1 1146 . 1 . 1 119 119 PHE HB3 H 1 3.111 0.020 . 1 . . . . . 119 PHE HB3 . 51495 1 1147 . 1 . 1 119 119 PHE CA C 13 56.960 0.3 . 1 . . . . . 119 PHE CA . 51495 1 1148 . 1 . 1 119 119 PHE CB C 13 40.964 0.3 . 1 . . . . . 119 PHE CB . 51495 1 1149 . 1 . 1 119 119 PHE N N 15 121.982 0.3 . 1 . . . . . 119 PHE N . 51495 1 1150 . 1 . 1 120 120 GLU HA H 1 5.005 0.020 . 1 . . . . . 120 GLU HA . 51495 1 1151 . 1 . 1 120 120 GLU HB2 H 1 1.921 0.020 . 2 . . . . . 120 GLU HB2 . 51495 1 1152 . 1 . 1 120 120 GLU HB3 H 1 1.866 0.020 . 2 . . . . . 120 GLU HB3 . 51495 1 1153 . 1 . 1 120 120 GLU HG2 H 1 2.265 0.020 . 2 . . . . . 120 GLU HG2 . 51495 1 1154 . 1 . 1 120 120 GLU HG3 H 1 2.186 0.020 . 2 . . . . . 120 GLU HG3 . 51495 1 1155 . 1 . 1 120 120 GLU C C 13 176.250 0.3 . 1 . . . . . 120 GLU C . 51495 1 1156 . 1 . 1 120 120 GLU CA C 13 56.703 0.3 . 1 . . . . . 120 GLU CA . 51495 1 1157 . 1 . 1 120 120 GLU CB C 13 30.023 0.3 . 1 . . . . . 120 GLU CB . 51495 1 1158 . 1 . 1 120 120 GLU CG C 13 35.995 0.3 . 1 . . . . . 120 GLU CG . 51495 1 1159 . 1 . 1 121 121 CYS H H 1 8.182 0.020 . 1 . . . . . 121 CYS H . 51495 1 1160 . 1 . 1 121 121 CYS HA H 1 4.700 0.020 . 1 . . . . . 121 CYS HA . 51495 1 1161 . 1 . 1 121 121 CYS HB2 H 1 3.512 0.020 . 2 . . . . . 121 CYS HB2 . 51495 1 1162 . 1 . 1 121 121 CYS HB3 H 1 3.439 0.020 . 2 . . . . . 121 CYS HB3 . 51495 1 1163 . 1 . 1 121 121 CYS C C 13 174.602 0.3 . 1 . . . . . 121 CYS C . 51495 1 1164 . 1 . 1 121 121 CYS CA C 13 55.530 0.3 . 1 . . . . . 121 CYS CA . 51495 1 1165 . 1 . 1 121 121 CYS CB C 13 37.377 0.3 . 1 . . . . . 121 CYS CB . 51495 1 1166 . 1 . 1 121 121 CYS N N 15 119.076 0.3 . 1 . . . . . 121 CYS N . 51495 1 1167 . 1 . 1 122 122 THR H H 1 8.108 0.020 . 1 . . . . . 122 THR H . 51495 1 1168 . 1 . 1 122 122 THR HA H 1 4.322 0.020 . 1 . . . . . 122 THR HA . 51495 1 1169 . 1 . 1 122 122 THR HB H 1 4.178 0.020 . 1 . . . . . 122 THR HB . 51495 1 1170 . 1 . 1 122 122 THR HG21 H 1 1.176 0.020 . 1 . . . . . 122 THR HG2 . 51495 1 1171 . 1 . 1 122 122 THR HG22 H 1 1.176 0.020 . 1 . . . . . 122 THR HG2 . 51495 1 1172 . 1 . 1 122 122 THR HG23 H 1 1.176 0.020 . 1 . . . . . 122 THR HG2 . 51495 1 1173 . 1 . 1 122 122 THR C C 13 174.189 0.3 . 1 . . . . . 122 THR C . 51495 1 1174 . 1 . 1 122 122 THR CA C 13 61.756 0.3 . 1 . . . . . 122 THR CA . 51495 1 1175 . 1 . 1 122 122 THR CB C 13 69.688 0.3 . 1 . . . . . 122 THR CB . 51495 1 1176 . 1 . 1 122 122 THR CG2 C 13 21.390 0.3 . 1 . . . . . 122 THR CG2 . 51495 1 1177 . 1 . 1 122 122 THR N N 15 115.705 0.3 . 1 . . . . . 122 THR N . 51495 1 1178 . 1 . 1 123 123 ASP H H 1 8.242 0.020 . 1 . . . . . 123 ASP H . 51495 1 1179 . 1 . 1 123 123 ASP HA H 1 4.332 0.020 . 1 . . . . . 123 ASP HA . 51495 1 1180 . 1 . 1 123 123 ASP HB2 H 1 2.687 0.020 . 2 . . . . . 123 ASP HB2 . 51495 1 1181 . 1 . 1 123 123 ASP HB3 H 1 2.604 0.020 . 2 . . . . . 123 ASP HB3 . 51495 1 1182 . 1 . 1 123 123 ASP C C 13 176.152 0.3 . 1 . . . . . 123 ASP C . 51495 1 1183 . 1 . 1 123 123 ASP CA C 13 55.181 0.3 . 1 . . . . . 123 ASP CA . 51495 1 1184 . 1 . 1 123 123 ASP CB C 13 40.965 0.3 . 1 . . . . . 123 ASP CB . 51495 1 1185 . 1 . 1 123 123 ASP N N 15 122.188 0.3 . 1 . . . . . 123 ASP N . 51495 1 1186 . 1 . 1 124 124 MET H H 1 8.134 0.020 . 1 . . . . . 124 MET H . 51495 1 1187 . 1 . 1 124 124 MET HA H 1 4.968 0.020 . 1 . . . . . 124 MET HA . 51495 1 1188 . 1 . 1 124 124 MET HB2 H 1 1.961 0.020 . 2 . . . . . 124 MET HB2 . 51495 1 1189 . 1 . 1 124 124 MET HB3 H 1 2.100 0.020 . 2 . . . . . 124 MET HB3 . 51495 1 1190 . 1 . 1 124 124 MET HG2 H 1 2.070 0.020 . 2 . . . . . 124 MET HG2 . 51495 1 1191 . 1 . 1 124 124 MET HG3 H 1 2.033 0.020 . 2 . . . . . 124 MET HG3 . 51495 1 1192 . 1 . 1 124 124 MET C C 13 175.372 0.3 . 1 . . . . . 124 MET C . 51495 1 1193 . 1 . 1 124 124 MET CA C 13 55.610 0.3 . 1 . . . . . 124 MET CA . 51495 1 1194 . 1 . 1 124 124 MET CB C 13 29.929 0.3 . 1 . . . . . 124 MET CB . 51495 1 1195 . 1 . 1 124 124 MET CG C 13 29.083 0.3 . 1 . . . . . 124 MET CG . 51495 1 1196 . 1 . 1 124 124 MET N N 15 120.274 0.3 . 1 . . . . . 124 MET N . 51495 1 1197 . 1 . 1 125 125 GLU HA H 1 4.610 0.020 . 1 . . . . . 125 GLU HA . 51495 1 1198 . 1 . 1 125 125 GLU HB2 H 1 1.953 0.020 . 2 . . . . . 125 GLU HB2 . 51495 1 1199 . 1 . 1 125 125 GLU HB3 H 1 1.885 0.020 . 2 . . . . . 125 GLU HB3 . 51495 1 1200 . 1 . 1 125 125 GLU HG2 H 1 2.305 0.020 . 2 . . . . . 125 GLU HG2 . 51495 1 1201 . 1 . 1 125 125 GLU HG3 H 1 2.276 0.020 . 2 . . . . . 125 GLU HG3 . 51495 1 1202 . 1 . 1 125 125 GLU C C 13 176.322 0.3 . 1 . . . . . 125 GLU C . 51495 1 1203 . 1 . 1 125 125 GLU CA C 13 54.710 0.3 . 1 . . . . . 125 GLU CA . 51495 1 1204 . 1 . 1 125 125 GLU CB C 13 29.702 0.3 . 1 . . . . . 125 GLU CB . 51495 1 1205 . 1 . 1 125 125 GLU CG C 13 36.025 0.3 . 1 . . . . . 125 GLU CG . 51495 1 1206 . 1 . 1 126 126 GLU H H 1 8.757 0.020 . 1 . . . . . 126 GLU H . 51495 1 1207 . 1 . 1 126 126 GLU HA H 1 4.129 0.020 . 1 . . . . . 126 GLU HA . 51495 1 1208 . 1 . 1 126 126 GLU HB2 H 1 2.166 0.020 . 2 . . . . . 126 GLU HB2 . 51495 1 1209 . 1 . 1 126 126 GLU HB3 H 1 2.092 0.020 . 2 . . . . . 126 GLU HB3 . 51495 1 1210 . 1 . 1 126 126 GLU HG2 H 1 2.468 0.020 . 2 . . . . . 126 GLU HG2 . 51495 1 1211 . 1 . 1 126 126 GLU HG3 H 1 2.344 0.020 . 2 . . . . . 126 GLU HG3 . 51495 1 1212 . 1 . 1 126 126 GLU C C 13 176.762 0.3 . 1 . . . . . 126 GLU C . 51495 1 1213 . 1 . 1 126 126 GLU CA C 13 59.698 0.3 . 1 . . . . . 126 GLU CA . 51495 1 1214 . 1 . 1 126 126 GLU CB C 13 29.219 0.3 . 1 . . . . . 126 GLU CB . 51495 1 1215 . 1 . 1 126 126 GLU CG C 13 36.395 0.3 . 1 . . . . . 126 GLU CG . 51495 1 1216 . 1 . 1 126 126 GLU N N 15 120.359 0.3 . 1 . . . . . 126 GLU N . 51495 1 1217 . 1 . 1 127 127 ASN H H 1 8.102 0.020 . 1 . . . . . 127 ASN H . 51495 1 1218 . 1 . 1 127 127 ASN HA H 1 4.032 0.020 . 1 . . . . . 127 ASN HA . 51495 1 1219 . 1 . 1 127 127 ASN HB2 H 1 3.161 0.020 . 2 . . . . . 127 ASN HB2 . 51495 1 1220 . 1 . 1 127 127 ASN HB3 H 1 2.674 0.020 . 2 . . . . . 127 ASN HB3 . 51495 1 1221 . 1 . 1 127 127 ASN C C 13 173.129 0.3 . 1 . . . . . 127 ASN C . 51495 1 1222 . 1 . 1 127 127 ASN CA C 13 53.070 0.3 . 1 . . . . . 127 ASN CA . 51495 1 1223 . 1 . 1 127 127 ASN CB C 13 39.351 0.3 . 1 . . . . . 127 ASN CB . 51495 1 1224 . 1 . 1 127 127 ASN N N 15 113.684 0.3 . 1 . . . . . 127 ASN N . 51495 1 1225 . 1 . 1 128 128 SER H H 1 7.283 0.020 . 1 . . . . . 128 SER H . 51495 1 1226 . 1 . 1 128 128 SER HA H 1 5.816 0.020 . 1 . . . . . 128 SER HA . 51495 1 1227 . 1 . 1 128 128 SER HB2 H 1 3.926 0.020 . 2 . . . . . 128 SER HB2 . 51495 1 1228 . 1 . 1 128 128 SER HB3 H 1 3.818 0.020 . 2 . . . . . 128 SER HB3 . 51495 1 1229 . 1 . 1 128 128 SER C C 13 172.013 0.3 . 1 . . . . . 128 SER C . 51495 1 1230 . 1 . 1 128 128 SER CA C 13 57.658 0.3 . 1 . . . . . 128 SER CA . 51495 1 1231 . 1 . 1 128 128 SER CB C 13 66.355 0.3 . 1 . . . . . 128 SER CB . 51495 1 1232 . 1 . 1 128 128 SER N N 15 110.993 0.3 . 1 . . . . . 128 SER N . 51495 1 1233 . 1 . 1 130 130 SER H H 1 8.788 0.020 . 1 . . . . . 130 SER H . 51495 1 1234 . 1 . 1 130 130 SER HA H 1 5.637 0.020 . 1 . . . . . 130 SER HA . 51495 1 1235 . 1 . 1 130 130 SER HB2 H 1 3.835 0.020 . 2 . . . . . 130 SER HB2 . 51495 1 1236 . 1 . 1 130 130 SER HB3 H 1 3.765 0.020 . 2 . . . . . 130 SER HB3 . 51495 1 1237 . 1 . 1 130 130 SER C C 13 172.660 0.3 . 1 . . . . . 130 SER C . 51495 1 1238 . 1 . 1 130 130 SER CA C 13 57.350 0.3 . 1 . . . . . 130 SER CA . 51495 1 1239 . 1 . 1 130 130 SER CB C 13 63.822 0.3 . 1 . . . . . 130 SER CB . 51495 1 1240 . 1 . 1 130 130 SER N N 15 115.766 0.3 . 1 . . . . . 130 SER N . 51495 1 1241 . 1 . 1 131 131 LEU H H 1 9.743 0.020 . 1 . . . . . 131 LEU H . 51495 1 1242 . 1 . 1 131 131 LEU HA H 1 5.584 0.020 . 1 . . . . . 131 LEU HA . 51495 1 1243 . 1 . 1 131 131 LEU HB2 H 1 2.154 0.020 . 2 . . . . . 131 LEU HB2 . 51495 1 1244 . 1 . 1 131 131 LEU HB3 H 1 2.118 0.020 . 2 . . . . . 131 LEU HB3 . 51495 1 1245 . 1 . 1 131 131 LEU HG H 1 1.886 0.020 . 1 . . . . . 131 LEU HG . 51495 1 1246 . 1 . 1 131 131 LEU HD11 H 1 0.832 0.020 . 1 . . . . . 131 LEU HD1 . 51495 1 1247 . 1 . 1 131 131 LEU HD12 H 1 0.832 0.020 . 1 . . . . . 131 LEU HD1 . 51495 1 1248 . 1 . 1 131 131 LEU HD13 H 1 0.832 0.020 . 1 . . . . . 131 LEU HD1 . 51495 1 1249 . 1 . 1 131 131 LEU HD21 H 1 0.797 0.020 . 1 . . . . . 131 LEU HD2 . 51495 1 1250 . 1 . 1 131 131 LEU HD22 H 1 0.797 0.020 . 1 . . . . . 131 LEU HD2 . 51495 1 1251 . 1 . 1 131 131 LEU HD23 H 1 0.797 0.020 . 1 . . . . . 131 LEU HD2 . 51495 1 1252 . 1 . 1 131 131 LEU C C 13 175.089 0.3 . 1 . . . . . 131 LEU C . 51495 1 1253 . 1 . 1 131 131 LEU CA C 13 52.959 0.3 . 1 . . . . . 131 LEU CA . 51495 1 1254 . 1 . 1 131 131 LEU CB C 13 46.662 0.3 . 1 . . . . . 131 LEU CB . 51495 1 1255 . 1 . 1 131 131 LEU CG C 13 27.573 0.3 . 1 . . . . . 131 LEU CG . 51495 1 1256 . 1 . 1 131 131 LEU CD1 C 13 26.475 0.3 . 1 . . . . . 131 LEU CD1 . 51495 1 1257 . 1 . 1 131 131 LEU CD2 C 13 25.145 0.3 . 1 . . . . . 131 LEU CD2 . 51495 1 1258 . 1 . 1 131 131 LEU N N 15 127.987 0.3 . 1 . . . . . 131 LEU N . 51495 1 1259 . 1 . 1 132 132 HIS H H 1 10.107 0.020 . 1 . . . . . 132 HIS H . 51495 1 1260 . 1 . 1 132 132 HIS HA H 1 4.970 0.020 . 1 . . . . . 132 HIS HA . 51495 1 1261 . 1 . 1 132 132 HIS HB2 H 1 2.826 0.020 . 2 . . . . . 132 HIS HB2 . 51495 1 1262 . 1 . 1 132 132 HIS HB3 H 1 2.904 0.020 . 2 . . . . . 132 HIS HB3 . 51495 1 1263 . 1 . 1 132 132 HIS C C 13 174.113 0.3 . 1 . . . . . 132 HIS C . 51495 1 1264 . 1 . 1 132 132 HIS CA C 13 55.241 0.3 . 1 . . . . . 132 HIS CA . 51495 1 1265 . 1 . 1 132 132 HIS CB C 13 31.752 0.3 . 1 . . . . . 132 HIS CB . 51495 1 1266 . 1 . 1 132 132 HIS N N 15 127.144 0.3 . 1 . . . . . 132 HIS N . 51495 1 1267 . 1 . 1 133 133 TYR H H 1 8.695 0.020 . 1 . . . . . 133 TYR H . 51495 1 1268 . 1 . 1 133 133 TYR HA H 1 5.111 0.020 . 1 . . . . . 133 TYR HA . 51495 1 1269 . 1 . 1 133 133 TYR HB2 H 1 2.827 0.020 . 2 . . . . . 133 TYR HB2 . 51495 1 1270 . 1 . 1 133 133 TYR HB3 H 1 2.779 0.020 . 2 . . . . . 133 TYR HB3 . 51495 1 1271 . 1 . 1 133 133 TYR C C 13 173.089 0.3 . 1 . . . . . 133 TYR C . 51495 1 1272 . 1 . 1 133 133 TYR CA C 13 60.257 0.3 . 1 . . . . . 133 TYR CA . 51495 1 1273 . 1 . 1 133 133 TYR CB C 13 41.503 0.3 . 1 . . . . . 133 TYR CB . 51495 1 1274 . 1 . 1 133 133 TYR N N 15 125.452 0.3 . 1 . . . . . 133 TYR N . 51495 1 1275 . 1 . 1 134 134 ARG HA H 1 4.091 0.020 . 1 . . . . . 134 ARG HA . 51495 1 1276 . 1 . 1 134 134 ARG HB2 H 1 2.001 0.020 . 1 . . . . . 134 ARG HB2 . 51495 1 1277 . 1 . 1 134 134 ARG HB3 H 1 2.001 0.020 . 1 . . . . . 134 ARG HB3 . 51495 1 1278 . 1 . 1 134 134 ARG HG2 H 1 1.705 0.020 . 1 . . . . . 134 ARG HG2 . 51495 1 1279 . 1 . 1 134 134 ARG HG3 H 1 1.705 0.020 . 1 . . . . . 134 ARG HG3 . 51495 1 1280 . 1 . 1 134 134 ARG HD2 H 1 3.044 0.020 . 2 . . . . . 134 ARG HD2 . 51495 1 1281 . 1 . 1 134 134 ARG HD3 H 1 2.800 0.020 . 2 . . . . . 134 ARG HD3 . 51495 1 1282 . 1 . 1 134 134 ARG C C 13 173.042 0.3 . 1 . . . . . 134 ARG C . 51495 1 1283 . 1 . 1 134 134 ARG CA C 13 54.533 0.3 . 1 . . . . . 134 ARG CA . 51495 1 1284 . 1 . 1 134 134 ARG CB C 13 31.938 0.3 . 1 . . . . . 134 ARG CB . 51495 1 1285 . 1 . 1 134 134 ARG CG C 13 29.681 0.3 . 1 . . . . . 134 ARG CG . 51495 1 1286 . 1 . 1 134 134 ARG CD C 13 41.882 0.3 . 1 . . . . . 134 ARG CD . 51495 1 1287 . 1 . 1 135 135 SER H H 1 7.741 0.020 . 1 . . . . . 135 SER H . 51495 1 1288 . 1 . 1 135 135 SER HA H 1 4.116 0.020 . 1 . . . . . 135 SER HA . 51495 1 1289 . 1 . 1 135 135 SER HB2 H 1 3.355 0.020 . 2 . . . . . 135 SER HB2 . 51495 1 1290 . 1 . 1 135 135 SER HB3 H 1 2.802 0.020 . 2 . . . . . 135 SER HB3 . 51495 1 1291 . 1 . 1 135 135 SER C C 13 174.253 0.3 . 1 . . . . . 135 SER C . 51495 1 1292 . 1 . 1 135 135 SER CA C 13 56.035 0.3 . 1 . . . . . 135 SER CA . 51495 1 1293 . 1 . 1 135 135 SER CB C 13 65.016 0.3 . 1 . . . . . 135 SER CB . 51495 1 1294 . 1 . 1 135 135 SER N N 15 115.225 0.3 . 1 . . . . . 135 SER N . 51495 1 1295 . 1 . 1 136 136 ASP H H 1 8.464 0.020 . 1 . . . . . 136 ASP H . 51495 1 1296 . 1 . 1 136 136 ASP HA H 1 4.575 0.020 . 1 . . . . . 136 ASP HA . 51495 1 1297 . 1 . 1 136 136 ASP HB2 H 1 2.737 0.020 . 2 . . . . . 136 ASP HB2 . 51495 1 1298 . 1 . 1 136 136 ASP HB3 H 1 2.692 0.020 . 2 . . . . . 136 ASP HB3 . 51495 1 1299 . 1 . 1 136 136 ASP C C 13 176.677 0.3 . 1 . . . . . 136 ASP C . 51495 1 1300 . 1 . 1 136 136 ASP CA C 13 55.034 0.3 . 1 . . . . . 136 ASP CA . 51495 1 1301 . 1 . 1 136 136 ASP CB C 13 41.032 0.3 . 1 . . . . . 136 ASP CB . 51495 1 1302 . 1 . 1 136 136 ASP N N 15 125.424 0.3 . 1 . . . . . 136 ASP N . 51495 1 1303 . 1 . 1 137 137 ARG H H 1 9.145 0.020 . 1 . . . . . 137 ARG H . 51495 1 1304 . 1 . 1 137 137 ARG HA H 1 5.055 0.020 . 1 . . . . . 137 ARG HA . 51495 1 1305 . 1 . 1 137 137 ARG HB2 H 1 1.876 0.020 . 2 . . . . . 137 ARG HB2 . 51495 1 1306 . 1 . 1 137 137 ARG HB3 H 1 1.785 0.020 . 2 . . . . . 137 ARG HB3 . 51495 1 1307 . 1 . 1 137 137 ARG HG2 H 1 1.256 0.020 . 2 . . . . . 137 ARG HG2 . 51495 1 1308 . 1 . 1 137 137 ARG HG3 H 1 1.101 0.020 . 2 . . . . . 137 ARG HG3 . 51495 1 1309 . 1 . 1 137 137 ARG HD2 H 1 2.812 0.020 . 2 . . . . . 137 ARG HD2 . 51495 1 1310 . 1 . 1 137 137 ARG HD3 H 1 2.782 0.020 . 2 . . . . . 137 ARG HD3 . 51495 1 1311 . 1 . 1 137 137 ARG C C 13 176.994 0.3 . 1 . . . . . 137 ARG C . 51495 1 1312 . 1 . 1 137 137 ARG CA C 13 56.022 0.3 . 1 . . . . . 137 ARG CA . 51495 1 1313 . 1 . 1 137 137 ARG CB C 13 31.685 0.3 . 1 . . . . . 137 ARG CB . 51495 1 1314 . 1 . 1 137 137 ARG CG C 13 25.968 0.3 . 1 . . . . . 137 ARG CG . 51495 1 1315 . 1 . 1 137 137 ARG CD C 13 41.892 0.3 . 1 . . . . . 137 ARG CD . 51495 1 1316 . 1 . 1 137 137 ARG N N 15 120.990 0.3 . 1 . . . . . 137 ARG N . 51495 1 1317 . 1 . 1 138 138 GLU HA H 1 4.478 0.020 . 1 . . . . . 138 GLU HA . 51495 1 1318 . 1 . 1 138 138 GLU HB2 H 1 1.993 0.020 . 2 . . . . . 138 GLU HB2 . 51495 1 1319 . 1 . 1 138 138 GLU HB3 H 1 1.905 0.020 . 2 . . . . . 138 GLU HB3 . 51495 1 1320 . 1 . 1 138 138 GLU HG2 H 1 2.438 0.020 . 1 . . . . . 138 GLU HG2 . 51495 1 1321 . 1 . 1 138 138 GLU HG3 H 1 2.438 0.020 . 1 . . . . . 138 GLU HG3 . 51495 1 1322 . 1 . 1 138 138 GLU CA C 13 55.687 0.3 . 1 . . . . . 138 GLU CA . 51495 1 1323 . 1 . 1 138 138 GLU CB C 13 31.663 0.3 . 1 . . . . . 138 GLU CB . 51495 1 1324 . 1 . 1 138 138 GLU CG C 13 36.089 0.3 . 1 . . . . . 138 GLU CG . 51495 1 1325 . 1 . 1 139 139 GLY H H 1 8.624 0.020 . 1 . . . . . 139 GLY H . 51495 1 1326 . 1 . 1 139 139 GLY HA2 H 1 4.183 0.020 . 2 . . . . . 139 GLY HA2 . 51495 1 1327 . 1 . 1 139 139 GLY HA3 H 1 3.971 0.020 . 2 . . . . . 139 GLY HA3 . 51495 1 1328 . 1 . 1 139 139 GLY C C 13 175.424 0.3 . 1 . . . . . 139 GLY C . 51495 1 1329 . 1 . 1 139 139 GLY CA C 13 46.971 0.3 . 1 . . . . . 139 GLY CA . 51495 1 1330 . 1 . 1 139 139 GLY N N 15 106.801 0.3 . 1 . . . . . 139 GLY N . 51495 1 1331 . 1 . 1 140 140 LEU H H 1 8.052 0.020 . 1 . . . . . 140 LEU H . 51495 1 1332 . 1 . 1 140 140 LEU HA H 1 5.005 0.020 . 1 . . . . . 140 LEU HA . 51495 1 1333 . 1 . 1 140 140 LEU HB2 H 1 1.541 0.020 . 2 . . . . . 140 LEU HB2 . 51495 1 1334 . 1 . 1 140 140 LEU HB3 H 1 1.118 0.020 . 2 . . . . . 140 LEU HB3 . 51495 1 1335 . 1 . 1 140 140 LEU HG H 1 1.638 0.020 . 1 . . . . . 140 LEU HG . 51495 1 1336 . 1 . 1 140 140 LEU HD11 H 1 1.249 0.020 . 1 . . . . . 140 LEU HD1 . 51495 1 1337 . 1 . 1 140 140 LEU HD12 H 1 1.249 0.020 . 1 . . . . . 140 LEU HD1 . 51495 1 1338 . 1 . 1 140 140 LEU HD13 H 1 1.249 0.020 . 1 . . . . . 140 LEU HD1 . 51495 1 1339 . 1 . 1 140 140 LEU HD21 H 1 1.145 0.020 . 1 . . . . . 140 LEU HD2 . 51495 1 1340 . 1 . 1 140 140 LEU HD22 H 1 1.145 0.020 . 1 . . . . . 140 LEU HD2 . 51495 1 1341 . 1 . 1 140 140 LEU HD23 H 1 1.145 0.020 . 1 . . . . . 140 LEU HD2 . 51495 1 1342 . 1 . 1 140 140 LEU C C 13 176.361 0.3 . 1 . . . . . 140 LEU C . 51495 1 1343 . 1 . 1 140 140 LEU CA C 13 54.212 0.3 . 1 . . . . . 140 LEU CA . 51495 1 1344 . 1 . 1 140 140 LEU CB C 13 40.998 0.3 . 1 . . . . . 140 LEU CB . 51495 1 1345 . 1 . 1 140 140 LEU CG C 13 25.947 0.3 . 1 . . . . . 140 LEU CG . 51495 1 1346 . 1 . 1 140 140 LEU CD1 C 13 24.384 0.3 . 1 . . . . . 140 LEU CD1 . 51495 1 1347 . 1 . 1 140 140 LEU CD2 C 13 21.244 0.3 . 1 . . . . . 140 LEU CD2 . 51495 1 1348 . 1 . 1 140 140 LEU N N 15 116.519 0.3 . 1 . . . . . 140 LEU N . 51495 1 1349 . 1 . 1 141 141 THR H H 1 7.739 0.020 . 1 . . . . . 141 THR H . 51495 1 1350 . 1 . 1 141 141 THR HA H 1 3.931 0.020 . 1 . . . . . 141 THR HA . 51495 1 1351 . 1 . 1 141 141 THR HB H 1 3.794 0.020 . 1 . . . . . 141 THR HB . 51495 1 1352 . 1 . 1 141 141 THR HG21 H 1 1.041 0.020 . 1 . . . . . 141 THR HG2 . 51495 1 1353 . 1 . 1 141 141 THR HG22 H 1 1.041 0.020 . 1 . . . . . 141 THR HG2 . 51495 1 1354 . 1 . 1 141 141 THR HG23 H 1 1.041 0.020 . 1 . . . . . 141 THR HG2 . 51495 1 1355 . 1 . 1 141 141 THR CA C 13 67.922 0.3 . 1 . . . . . 141 THR CA . 51495 1 1356 . 1 . 1 141 141 THR CB C 13 66.022 0.3 . 1 . . . . . 141 THR CB . 51495 1 1357 . 1 . 1 141 141 THR CG2 C 13 22.389 0.3 . 1 . . . . . 141 THR CG2 . 51495 1 1358 . 1 . 1 141 141 THR N N 15 114.559 0.3 . 1 . . . . . 141 THR N . 51495 1 1359 . 1 . 1 142 142 PRO HA H 1 3.777 0.020 . 1 . . . . . 142 PRO HA . 51495 1 1360 . 1 . 1 142 142 PRO HB2 H 1 2.228 0.020 . 2 . . . . . 142 PRO HB2 . 51495 1 1361 . 1 . 1 142 142 PRO HB3 H 1 1.965 0.020 . 2 . . . . . 142 PRO HB3 . 51495 1 1362 . 1 . 1 142 142 PRO HG2 H 1 1.331 0.020 . 1 . . . . . 142 PRO HG2 . 51495 1 1363 . 1 . 1 142 142 PRO HG3 H 1 1.331 0.020 . 1 . . . . . 142 PRO HG3 . 51495 1 1364 . 1 . 1 142 142 PRO HD2 H 1 3.785 0.020 . 1 . . . . . 142 PRO HD2 . 51495 1 1365 . 1 . 1 142 142 PRO HD3 H 1 3.785 0.020 . 1 . . . . . 142 PRO HD3 . 51495 1 1366 . 1 . 1 142 142 PRO C C 13 177.307 0.3 . 1 . . . . . 142 PRO C . 51495 1 1367 . 1 . 1 142 142 PRO CA C 13 65.369 0.3 . 1 . . . . . 142 PRO CA . 51495 1 1368 . 1 . 1 142 142 PRO CB C 13 31.589 0.3 . 1 . . . . . 142 PRO CB . 51495 1 1369 . 1 . 1 142 142 PRO CG C 13 30.019 0.3 . 1 . . . . . 142 PRO CG . 51495 1 1370 . 1 . 1 142 142 PRO CD C 13 49.933 0.3 . 1 . . . . . 142 PRO CD . 51495 1 1371 . 1 . 1 143 143 MET H H 1 6.995 0.020 . 1 . . . . . 143 MET H . 51495 1 1372 . 1 . 1 143 143 MET HA H 1 6.347 0.020 . 1 . . . . . 143 MET HA . 51495 1 1373 . 1 . 1 143 143 MET HB2 H 1 2.003 0.020 . 2 . . . . . 143 MET HB2 . 51495 1 1374 . 1 . 1 143 143 MET HB3 H 1 1.979 0.020 . 2 . . . . . 143 MET HB3 . 51495 1 1375 . 1 . 1 143 143 MET HG2 H 1 2.253 0.020 . 2 . . . . . 143 MET HG2 . 51495 1 1376 . 1 . 1 143 143 MET HG3 H 1 2.212 0.020 . 2 . . . . . 143 MET HG3 . 51495 1 1377 . 1 . 1 143 143 MET C C 13 176.490 0.3 . 1 . . . . . 143 MET C . 51495 1 1378 . 1 . 1 143 143 MET CA C 13 57.334 0.3 . 1 . . . . . 143 MET CA . 51495 1 1379 . 1 . 1 143 143 MET CB C 13 30.028 0.3 . 1 . . . . . 143 MET CB . 51495 1 1380 . 1 . 1 143 143 MET CG C 13 35.961 0.3 . 1 . . . . . 143 MET CG . 51495 1 1381 . 1 . 1 143 143 MET N N 15 113.577 0.3 . 1 . . . . . 143 MET N . 51495 1 1382 . 1 . 1 144 144 VAL H H 1 6.364 0.020 . 1 . . . . . 144 VAL H . 51495 1 1383 . 1 . 1 144 144 VAL HA H 1 2.872 0.020 . 1 . . . . . 144 VAL HA . 51495 1 1384 . 1 . 1 144 144 VAL HB H 1 1.350 0.020 . 1 . . . . . 144 VAL HB . 51495 1 1385 . 1 . 1 144 144 VAL HG11 H 1 0.429 0.020 . 1 . . . . . 144 VAL HG1 . 51495 1 1386 . 1 . 1 144 144 VAL HG12 H 1 0.429 0.020 . 1 . . . . . 144 VAL HG1 . 51495 1 1387 . 1 . 1 144 144 VAL HG13 H 1 0.429 0.020 . 1 . . . . . 144 VAL HG1 . 51495 1 1388 . 1 . 1 144 144 VAL HG21 H 1 0.452 0.020 . 1 . . . . . 144 VAL HG2 . 51495 1 1389 . 1 . 1 144 144 VAL HG22 H 1 0.452 0.020 . 1 . . . . . 144 VAL HG2 . 51495 1 1390 . 1 . 1 144 144 VAL HG23 H 1 0.452 0.020 . 1 . . . . . 144 VAL HG2 . 51495 1 1391 . 1 . 1 144 144 VAL C C 13 175.184 0.3 . 1 . . . . . 144 VAL C . 51495 1 1392 . 1 . 1 144 144 VAL CA C 13 65.002 0.3 . 1 . . . . . 144 VAL CA . 51495 1 1393 . 1 . 1 144 144 VAL CB C 13 30.786 0.3 . 1 . . . . . 144 VAL CB . 51495 1 1394 . 1 . 1 144 144 VAL CG1 C 13 21.465 0.3 . 1 . . . . . 144 VAL CG1 . 51495 1 1395 . 1 . 1 144 144 VAL CG2 C 13 20.328 0.3 . 1 . . . . . 144 VAL CG2 . 51495 1 1396 . 1 . 1 144 144 VAL N N 15 116.035 0.3 . 1 . . . . . 144 VAL N . 51495 1 1397 . 1 . 1 145 145 ILE H H 1 5.821 0.020 . 1 . . . . . 145 ILE H . 51495 1 1398 . 1 . 1 145 145 ILE HA H 1 2.452 0.020 . 1 . . . . . 145 ILE HA . 51495 1 1399 . 1 . 1 145 145 ILE HB H 1 1.134 0.020 . 1 . . . . . 145 ILE HB . 51495 1 1400 . 1 . 1 145 145 ILE HG12 H 1 0.981 0.020 . 2 . . . . . 145 ILE HG12 . 51495 1 1401 . 1 . 1 145 145 ILE HG13 H 1 0.406 0.020 . 2 . . . . . 145 ILE HG13 . 51495 1 1402 . 1 . 1 145 145 ILE HG21 H 1 0.278 0.020 . 1 . . . . . 145 ILE HG2 . 51495 1 1403 . 1 . 1 145 145 ILE HG22 H 1 0.278 0.020 . 1 . . . . . 145 ILE HG2 . 51495 1 1404 . 1 . 1 145 145 ILE HG23 H 1 0.278 0.020 . 1 . . . . . 145 ILE HG2 . 51495 1 1405 . 1 . 1 145 145 ILE HD11 H 1 0.572 0.020 . 1 . . . . . 145 ILE HD1 . 51495 1 1406 . 1 . 1 145 145 ILE HD12 H 1 0.572 0.020 . 1 . . . . . 145 ILE HD1 . 51495 1 1407 . 1 . 1 145 145 ILE HD13 H 1 0.572 0.020 . 1 . . . . . 145 ILE HD1 . 51495 1 1408 . 1 . 1 145 145 ILE C C 13 176.741 0.3 . 1 . . . . . 145 ILE C . 51495 1 1409 . 1 . 1 145 145 ILE CA C 13 64.688 0.3 . 1 . . . . . 145 ILE CA . 51495 1 1410 . 1 . 1 145 145 ILE CB C 13 37.193 0.3 . 1 . . . . . 145 ILE CB . 51495 1 1411 . 1 . 1 145 145 ILE CG1 C 13 29.073 0.3 . 1 . . . . . 145 ILE CG1 . 51495 1 1412 . 1 . 1 145 145 ILE CG2 C 13 16.253 0.3 . 1 . . . . . 145 ILE CG2 . 51495 1 1413 . 1 . 1 145 145 ILE CD1 C 13 12.395 0.3 . 1 . . . . . 145 ILE CD1 . 51495 1 1414 . 1 . 1 145 145 ILE N N 15 115.943 0.3 . 1 . . . . . 145 ILE N . 51495 1 1415 . 1 . 1 146 146 GLY H H 1 5.717 0.020 . 1 . . . . . 146 GLY H . 51495 1 1416 . 1 . 1 146 146 GLY HA2 H 1 3.334 0.020 . 2 . . . . . 146 GLY HA2 . 51495 1 1417 . 1 . 1 146 146 GLY HA3 H 1 2.720 0.020 . 2 . . . . . 146 GLY HA3 . 51495 1 1418 . 1 . 1 146 146 GLY CA C 13 46.353 0.3 . 1 . . . . . 146 GLY CA . 51495 1 1419 . 1 . 1 146 146 GLY N N 15 101.143 0.3 . 1 . . . . . 146 GLY N . 51495 1 1420 . 1 . 1 147 147 LEU HA H 1 4.377 0.020 . 1 . . . . . 147 LEU HA . 51495 1 1421 . 1 . 1 147 147 LEU HB2 H 1 1.582 0.020 . 2 . . . . . 147 LEU HB2 . 51495 1 1422 . 1 . 1 147 147 LEU HB3 H 1 1.517 0.020 . 2 . . . . . 147 LEU HB3 . 51495 1 1423 . 1 . 1 147 147 LEU HG H 1 1.637 0.020 . 1 . . . . . 147 LEU HG . 51495 1 1424 . 1 . 1 147 147 LEU HD11 H 1 0.945 0.020 . 1 . . . . . 147 LEU HD1 . 51495 1 1425 . 1 . 1 147 147 LEU HD12 H 1 0.945 0.020 . 1 . . . . . 147 LEU HD1 . 51495 1 1426 . 1 . 1 147 147 LEU HD13 H 1 0.945 0.020 . 1 . . . . . 147 LEU HD1 . 51495 1 1427 . 1 . 1 147 147 LEU HD21 H 1 0.871 0.020 . 1 . . . . . 147 LEU HD2 . 51495 1 1428 . 1 . 1 147 147 LEU HD22 H 1 0.871 0.020 . 1 . . . . . 147 LEU HD2 . 51495 1 1429 . 1 . 1 147 147 LEU HD23 H 1 0.871 0.020 . 1 . . . . . 147 LEU HD2 . 51495 1 1430 . 1 . 1 147 147 LEU C C 13 177.480 0.3 . 1 . . . . . 147 LEU C . 51495 1 1431 . 1 . 1 147 147 LEU CA C 13 54.990 0.3 . 1 . . . . . 147 LEU CA . 51495 1 1432 . 1 . 1 147 147 LEU CB C 13 38.419 0.3 . 1 . . . . . 147 LEU CB . 51495 1 1433 . 1 . 1 147 147 LEU CG C 13 26.722 0.3 . 1 . . . . . 147 LEU CG . 51495 1 1434 . 1 . 1 147 147 LEU CD1 C 13 24.707 0.3 . 1 . . . . . 147 LEU CD1 . 51495 1 1435 . 1 . 1 147 147 LEU CD2 C 13 23.441 0.3 . 1 . . . . . 147 LEU CD2 . 51495 1 1436 . 1 . 1 148 148 ILE H H 1 6.493 0.020 . 1 . . . . . 148 ILE H . 51495 1 1437 . 1 . 1 148 148 ILE HA H 1 3.358 0.020 . 1 . . . . . 148 ILE HA . 51495 1 1438 . 1 . 1 148 148 ILE HB H 1 1.869 0.020 . 1 . . . . . 148 ILE HB . 51495 1 1439 . 1 . 1 148 148 ILE HG12 H 1 1.345 0.020 . 2 . . . . . 148 ILE HG12 . 51495 1 1440 . 1 . 1 148 148 ILE HG13 H 1 0.937 0.020 . 2 . . . . . 148 ILE HG13 . 51495 1 1441 . 1 . 1 148 148 ILE HG21 H 1 0.624 0.020 . 1 . . . . . 148 ILE HG2 . 51495 1 1442 . 1 . 1 148 148 ILE HG22 H 1 0.624 0.020 . 1 . . . . . 148 ILE HG2 . 51495 1 1443 . 1 . 1 148 148 ILE HG23 H 1 0.624 0.020 . 1 . . . . . 148 ILE HG2 . 51495 1 1444 . 1 . 1 148 148 ILE HD11 H 1 0.518 0.020 . 1 . . . . . 148 ILE HD1 . 51495 1 1445 . 1 . 1 148 148 ILE HD12 H 1 0.518 0.020 . 1 . . . . . 148 ILE HD1 . 51495 1 1446 . 1 . 1 148 148 ILE HD13 H 1 0.518 0.020 . 1 . . . . . 148 ILE HD1 . 51495 1 1447 . 1 . 1 148 148 ILE C C 13 177.626 0.3 . 1 . . . . . 148 ILE C . 51495 1 1448 . 1 . 1 148 148 ILE CA C 13 63.724 0.3 . 1 . . . . . 148 ILE CA . 51495 1 1449 . 1 . 1 148 148 ILE CB C 13 35.964 0.3 . 1 . . . . . 148 ILE CB . 51495 1 1450 . 1 . 1 148 148 ILE CG1 C 13 27.971 0.3 . 1 . . . . . 148 ILE CG1 . 51495 1 1451 . 1 . 1 148 148 ILE CG2 C 13 16.459 0.3 . 1 . . . . . 148 ILE CG2 . 51495 1 1452 . 1 . 1 148 148 ILE CD1 C 13 12.211 0.3 . 1 . . . . . 148 ILE CD1 . 51495 1 1453 . 1 . 1 148 148 ILE N N 15 115.510 0.3 . 1 . . . . . 148 ILE N . 51495 1 1454 . 1 . 1 149 149 LYS H H 1 6.651 0.020 . 1 . . . . . 149 LYS H . 51495 1 1455 . 1 . 1 149 149 LYS HA H 1 3.408 0.020 . 1 . . . . . 149 LYS HA . 51495 1 1456 . 1 . 1 149 149 LYS HB2 H 1 1.228 0.020 . 2 . . . . . 149 LYS HB2 . 51495 1 1457 . 1 . 1 149 149 LYS HB3 H 1 1.175 0.020 . 2 . . . . . 149 LYS HB3 . 51495 1 1458 . 1 . 1 149 149 LYS HG2 H 1 1.619 0.020 . 2 . . . . . 149 LYS HG2 . 51495 1 1459 . 1 . 1 149 149 LYS HG3 H 1 1.525 0.020 . 2 . . . . . 149 LYS HG3 . 51495 1 1460 . 1 . 1 149 149 LYS HD2 H 1 1.707 0.020 . 1 . . . . . 149 LYS HD2 . 51495 1 1461 . 1 . 1 149 149 LYS HD3 H 1 1.707 0.020 . 1 . . . . . 149 LYS HD3 . 51495 1 1462 . 1 . 1 149 149 LYS HE2 H 1 2.507 0.020 . 1 . . . . . 149 LYS HE2 . 51495 1 1463 . 1 . 1 149 149 LYS HE3 H 1 2.507 0.020 . 1 . . . . . 149 LYS HE3 . 51495 1 1464 . 1 . 1 149 149 LYS C C 13 179.597 0.3 . 1 . . . . . 149 LYS C . 51495 1 1465 . 1 . 1 149 149 LYS CA C 13 59.796 0.3 . 1 . . . . . 149 LYS CA . 51495 1 1466 . 1 . 1 149 149 LYS CB C 13 30.896 0.3 . 1 . . . . . 149 LYS CB . 51495 1 1467 . 1 . 1 149 149 LYS CG C 13 25.292 0.3 . 1 . . . . . 149 LYS CG . 51495 1 1468 . 1 . 1 149 149 LYS CD C 13 29.668 0.3 . 1 . . . . . 149 LYS CD . 51495 1 1469 . 1 . 1 149 149 LYS CE C 13 41.881 0.3 . 1 . . . . . 149 LYS CE . 51495 1 1470 . 1 . 1 149 149 LYS N N 15 118.903 0.3 . 1 . . . . . 149 LYS N . 51495 1 1471 . 1 . 1 150 150 GLY H H 1 7.932 0.020 . 1 . . . . . 150 GLY H . 51495 1 1472 . 1 . 1 150 150 GLY HA2 H 1 3.346 0.020 . 2 . . . . . 150 GLY HA2 . 51495 1 1473 . 1 . 1 150 150 GLY HA3 H 1 2.512 0.020 . 2 . . . . . 150 GLY HA3 . 51495 1 1474 . 1 . 1 150 150 GLY C C 13 176.466 0.3 . 1 . . . . . 150 GLY C . 51495 1 1475 . 1 . 1 150 150 GLY CA C 13 46.153 0.3 . 1 . . . . . 150 GLY CA . 51495 1 1476 . 1 . 1 150 150 GLY N N 15 106.782 0.3 . 1 . . . . . 150 GLY N . 51495 1 1477 . 1 . 1 151 151 LEU H H 1 7.808 0.020 . 1 . . . . . 151 LEU H . 51495 1 1478 . 1 . 1 151 151 LEU HA H 1 4.446 0.020 . 1 . . . . . 151 LEU HA . 51495 1 1479 . 1 . 1 151 151 LEU HB2 H 1 1.765 0.020 . 2 . . . . . 151 LEU HB2 . 51495 1 1480 . 1 . 1 151 151 LEU HB3 H 1 1.786 0.020 . 2 . . . . . 151 LEU HB3 . 51495 1 1481 . 1 . 1 151 151 LEU HG H 1 1.549 0.020 . 1 . . . . . 151 LEU HG . 51495 1 1482 . 1 . 1 151 151 LEU HD11 H 1 1.414 0.020 . 1 . . . . . 151 LEU HD1 . 51495 1 1483 . 1 . 1 151 151 LEU HD12 H 1 1.414 0.020 . 1 . . . . . 151 LEU HD1 . 51495 1 1484 . 1 . 1 151 151 LEU HD13 H 1 1.414 0.020 . 1 . . . . . 151 LEU HD1 . 51495 1 1485 . 1 . 1 151 151 LEU HD21 H 1 1.160 0.020 . 1 . . . . . 151 LEU HD2 . 51495 1 1486 . 1 . 1 151 151 LEU HD22 H 1 1.160 0.020 . 1 . . . . . 151 LEU HD2 . 51495 1 1487 . 1 . 1 151 151 LEU HD23 H 1 1.160 0.020 . 1 . . . . . 151 LEU HD2 . 51495 1 1488 . 1 . 1 151 151 LEU C C 13 178.403 0.3 . 1 . . . . . 151 LEU C . 51495 1 1489 . 1 . 1 151 151 LEU CA C 13 56.673 0.3 . 1 . . . . . 151 LEU CA . 51495 1 1490 . 1 . 1 151 151 LEU CB C 13 41.652 0.3 . 1 . . . . . 151 LEU CB . 51495 1 1491 . 1 . 1 151 151 LEU CG C 13 31.878 0.3 . 1 . . . . . 151 LEU CG . 51495 1 1492 . 1 . 1 151 151 LEU CD1 C 13 29.394 0.3 . 1 . . . . . 151 LEU CD1 . 51495 1 1493 . 1 . 1 151 151 LEU CD2 C 13 25.630 0.3 . 1 . . . . . 151 LEU CD2 . 51495 1 1494 . 1 . 1 151 151 LEU N N 15 124.135 0.3 . 1 . . . . . 151 LEU N . 51495 1 1495 . 1 . 1 152 152 GLY H H 1 8.202 0.020 . 1 . . . . . 152 GLY H . 51495 1 1496 . 1 . 1 152 152 GLY HA2 H 1 3.682 0.020 . 2 . . . . . 152 GLY HA2 . 51495 1 1497 . 1 . 1 152 152 GLY HA3 H 1 3.556 0.020 . 2 . . . . . 152 GLY HA3 . 51495 1 1498 . 1 . 1 152 152 GLY C C 13 176.074 0.3 . 1 . . . . . 152 GLY C . 51495 1 1499 . 1 . 1 152 152 GLY CA C 13 48.314 0.3 . 1 . . . . . 152 GLY CA . 51495 1 1500 . 1 . 1 152 152 GLY N N 15 109.584 0.3 . 1 . . . . . 152 GLY N . 51495 1 1501 . 1 . 1 153 153 THR H H 1 7.438 0.020 . 1 . . . . . 153 THR H . 51495 1 1502 . 1 . 1 153 153 THR HA H 1 4.077 0.020 . 1 . . . . . 153 THR HA . 51495 1 1503 . 1 . 1 153 153 THR HB H 1 3.859 0.020 . 1 . . . . . 153 THR HB . 51495 1 1504 . 1 . 1 153 153 THR HG21 H 1 0.905 0.020 . 1 . . . . . 153 THR HG2 . 51495 1 1505 . 1 . 1 153 153 THR HG22 H 1 0.905 0.020 . 1 . . . . . 153 THR HG2 . 51495 1 1506 . 1 . 1 153 153 THR HG23 H 1 0.905 0.020 . 1 . . . . . 153 THR HG2 . 51495 1 1507 . 1 . 1 153 153 THR C C 13 177.443 0.3 . 1 . . . . . 153 THR C . 51495 1 1508 . 1 . 1 153 153 THR CA C 13 66.193 0.3 . 1 . . . . . 153 THR CA . 51495 1 1509 . 1 . 1 153 153 THR CB C 13 67.689 0.3 . 1 . . . . . 153 THR CB . 51495 1 1510 . 1 . 1 153 153 THR CG2 C 13 21.923 0.3 . 1 . . . . . 153 THR CG2 . 51495 1 1511 . 1 . 1 153 153 THR N N 15 118.738 0.3 . 1 . . . . . 153 THR N . 51495 1 1512 . 1 . 1 154 154 ARG H H 1 7.329 0.020 . 1 . . . . . 154 ARG H . 51495 1 1513 . 1 . 1 154 154 ARG HA H 1 3.576 0.020 . 1 . . . . . 154 ARG HA . 51495 1 1514 . 1 . 1 154 154 ARG HB2 H 1 1.767 0.020 . 1 . . . . . 154 ARG HB2 . 51495 1 1515 . 1 . 1 154 154 ARG HB3 H 1 1.767 0.020 . 1 . . . . . 154 ARG HB3 . 51495 1 1516 . 1 . 1 154 154 ARG HG2 H 1 1.761 0.020 . 2 . . . . . 154 ARG HG2 . 51495 1 1517 . 1 . 1 154 154 ARG HG3 H 1 1.090 0.020 . 2 . . . . . 154 ARG HG3 . 51495 1 1518 . 1 . 1 154 154 ARG HD2 H 1 3.047 0.020 . 2 . . . . . 154 ARG HD2 . 51495 1 1519 . 1 . 1 154 154 ARG HD3 H 1 3.018 0.020 . 2 . . . . . 154 ARG HD3 . 51495 1 1520 . 1 . 1 154 154 ARG C C 13 176.571 0.3 . 1 . . . . . 154 ARG C . 51495 1 1521 . 1 . 1 154 154 ARG CA C 13 59.276 0.3 . 1 . . . . . 154 ARG CA . 51495 1 1522 . 1 . 1 154 154 ARG CB C 13 29.186 0.3 . 1 . . . . . 154 ARG CB . 51495 1 1523 . 1 . 1 154 154 ARG CG C 13 25.305 0.3 . 1 . . . . . 154 ARG CG . 51495 1 1524 . 1 . 1 154 154 ARG CD C 13 41.886 0.3 . 1 . . . . . 154 ARG CD . 51495 1 1525 . 1 . 1 154 154 ARG N N 15 123.170 0.3 . 1 . . . . . 154 ARG N . 51495 1 1526 . 1 . 1 155 155 PHE H H 1 7.651 0.020 . 1 . . . . . 155 PHE H . 51495 1 1527 . 1 . 1 155 155 PHE HA H 1 4.763 0.020 . 1 . . . . . 155 PHE HA . 51495 1 1528 . 1 . 1 155 155 PHE HB2 H 1 2.845 0.020 . 2 . . . . . 155 PHE HB2 . 51495 1 1529 . 1 . 1 155 155 PHE HB3 H 1 2.785 0.020 . 2 . . . . . 155 PHE HB3 . 51495 1 1530 . 1 . 1 155 155 PHE C C 13 175.453 0.3 . 1 . . . . . 155 PHE C . 51495 1 1531 . 1 . 1 155 155 PHE CA C 13 58.058 0.3 . 1 . . . . . 155 PHE CA . 51495 1 1532 . 1 . 1 155 155 PHE CB C 13 38.493 0.3 . 1 . . . . . 155 PHE CB . 51495 1 1533 . 1 . 1 155 155 PHE N N 15 113.144 0.3 . 1 . . . . . 155 PHE N . 51495 1 1534 . 1 . 1 156 156 ASP H H 1 7.994 0.020 . 1 . . . . . 156 ASP H . 51495 1 1535 . 1 . 1 156 156 ASP HA H 1 4.346 0.020 . 1 . . . . . 156 ASP HA . 51495 1 1536 . 1 . 1 156 156 ASP HB2 H 1 2.526 0.020 . 2 . . . . . 156 ASP HB2 . 51495 1 1537 . 1 . 1 156 156 ASP HB3 H 1 2.494 0.020 . 2 . . . . . 156 ASP HB3 . 51495 1 1538 . 1 . 1 156 156 ASP C C 13 174.252 0.3 . 1 . . . . . 156 ASP C . 51495 1 1539 . 1 . 1 156 156 ASP CA C 13 55.363 0.3 . 1 . . . . . 156 ASP CA . 51495 1 1540 . 1 . 1 156 156 ASP CB C 13 39.620 0.3 . 1 . . . . . 156 ASP CB . 51495 1 1541 . 1 . 1 156 156 ASP N N 15 125.199 0.3 . 1 . . . . . 156 ASP N . 51495 1 1542 . 1 . 1 157 157 THR H H 1 9.021 0.020 . 1 . . . . . 157 THR H . 51495 1 1543 . 1 . 1 157 157 THR HA H 1 4.639 0.020 . 1 . . . . . 157 THR HA . 51495 1 1544 . 1 . 1 157 157 THR HB H 1 3.751 0.020 . 1 . . . . . 157 THR HB . 51495 1 1545 . 1 . 1 157 157 THR HG21 H 1 1.087 0.020 . 1 . . . . . 157 THR HG2 . 51495 1 1546 . 1 . 1 157 157 THR HG22 H 1 1.087 0.020 . 1 . . . . . 157 THR HG2 . 51495 1 1547 . 1 . 1 157 157 THR HG23 H 1 1.087 0.020 . 1 . . . . . 157 THR HG2 . 51495 1 1548 . 1 . 1 157 157 THR C C 13 172.564 0.3 . 1 . . . . . 157 THR C . 51495 1 1549 . 1 . 1 157 157 THR CA C 13 61.923 0.3 . 1 . . . . . 157 THR CA . 51495 1 1550 . 1 . 1 157 157 THR CB C 13 73.117 0.3 . 1 . . . . . 157 THR CB . 51495 1 1551 . 1 . 1 157 157 THR CG2 C 13 21.556 0.3 . 1 . . . . . 157 THR CG2 . 51495 1 1552 . 1 . 1 157 157 THR N N 15 114.578 0.3 . 1 . . . . . 157 THR N . 51495 1 1553 . 1 . 1 158 158 GLU H H 1 8.354 0.020 . 1 . . . . . 158 GLU H . 51495 1 1554 . 1 . 1 158 158 GLU HA H 1 4.175 0.020 . 1 . . . . . 158 GLU HA . 51495 1 1555 . 1 . 1 158 158 GLU HB2 H 1 2.024 0.020 . 2 . . . . . 158 GLU HB2 . 51495 1 1556 . 1 . 1 158 158 GLU HB3 H 1 1.897 0.020 . 2 . . . . . 158 GLU HB3 . 51495 1 1557 . 1 . 1 158 158 GLU HG2 H 1 2.246 0.020 . 2 . . . . . 158 GLU HG2 . 51495 1 1558 . 1 . 1 158 158 GLU HG3 H 1 2.126 0.020 . 2 . . . . . 158 GLU HG3 . 51495 1 1559 . 1 . 1 158 158 GLU C C 13 175.800 0.3 . 1 . . . . . 158 GLU C . 51495 1 1560 . 1 . 1 158 158 GLU CA C 13 56.024 0.3 . 1 . . . . . 158 GLU CA . 51495 1 1561 . 1 . 1 158 158 GLU CB C 13 30.396 0.3 . 1 . . . . . 158 GLU CB . 51495 1 1562 . 1 . 1 158 158 GLU CG C 13 35.948 0.3 . 1 . . . . . 158 GLU CG . 51495 1 1563 . 1 . 1 158 158 GLU N N 15 129.675 0.3 . 1 . . . . . 158 GLU N . 51495 1 1564 . 1 . 1 159 159 VAL H H 1 8.247 0.020 . 1 . . . . . 159 VAL H . 51495 1 1565 . 1 . 1 159 159 VAL HA H 1 5.199 0.020 . 1 . . . . . 159 VAL HA . 51495 1 1566 . 1 . 1 159 159 VAL HB H 1 1.583 0.020 . 1 . . . . . 159 VAL HB . 51495 1 1567 . 1 . 1 159 159 VAL HG11 H 1 0.611 0.020 . 1 . . . . . 159 VAL HG1 . 51495 1 1568 . 1 . 1 159 159 VAL HG12 H 1 0.611 0.020 . 1 . . . . . 159 VAL HG1 . 51495 1 1569 . 1 . 1 159 159 VAL HG13 H 1 0.611 0.020 . 1 . . . . . 159 VAL HG1 . 51495 1 1570 . 1 . 1 159 159 VAL HG21 H 1 0.642 0.020 . 1 . . . . . 159 VAL HG2 . 51495 1 1571 . 1 . 1 159 159 VAL HG22 H 1 0.642 0.020 . 1 . . . . . 159 VAL HG2 . 51495 1 1572 . 1 . 1 159 159 VAL HG23 H 1 0.642 0.020 . 1 . . . . . 159 VAL HG2 . 51495 1 1573 . 1 . 1 159 159 VAL C C 13 173.831 0.3 . 1 . . . . . 159 VAL C . 51495 1 1574 . 1 . 1 159 159 VAL CA C 13 58.978 0.3 . 1 . . . . . 159 VAL CA . 51495 1 1575 . 1 . 1 159 159 VAL CB C 13 35.395 0.3 . 1 . . . . . 159 VAL CB . 51495 1 1576 . 1 . 1 159 159 VAL CG1 C 13 21.908 0.3 . 1 . . . . . 159 VAL CG1 . 51495 1 1577 . 1 . 1 159 159 VAL CG2 C 13 20.002 0.3 . 1 . . . . . 159 VAL CG2 . 51495 1 1578 . 1 . 1 159 159 VAL N N 15 118.936 0.3 . 1 . . . . . 159 VAL N . 51495 1 1579 . 1 . 1 161 161 ILE HA H 1 5.061 0.020 . 1 . . . . . 161 ILE HA . 51495 1 1580 . 1 . 1 161 161 ILE HB H 1 1.390 0.020 . 1 . . . . . 161 ILE HB . 51495 1 1581 . 1 . 1 161 161 ILE HG12 H 1 0.631 0.020 . 2 . . . . . 161 ILE HG12 . 51495 1 1582 . 1 . 1 161 161 ILE HG13 H 1 0.588 0.020 . 2 . . . . . 161 ILE HG13 . 51495 1 1583 . 1 . 1 161 161 ILE HG21 H 1 0.625 0.020 . 1 . . . . . 161 ILE HG2 . 51495 1 1584 . 1 . 1 161 161 ILE HG22 H 1 0.625 0.020 . 1 . . . . . 161 ILE HG2 . 51495 1 1585 . 1 . 1 161 161 ILE HG23 H 1 0.625 0.020 . 1 . . . . . 161 ILE HG2 . 51495 1 1586 . 1 . 1 161 161 ILE HD11 H 1 0.382 0.020 . 1 . . . . . 161 ILE HD1 . 51495 1 1587 . 1 . 1 161 161 ILE HD12 H 1 0.382 0.020 . 1 . . . . . 161 ILE HD1 . 51495 1 1588 . 1 . 1 161 161 ILE HD13 H 1 0.382 0.020 . 1 . . . . . 161 ILE HD1 . 51495 1 1589 . 1 . 1 161 161 ILE C C 13 174.700 0.3 . 1 . . . . . 161 ILE C . 51495 1 1590 . 1 . 1 161 161 ILE CA C 13 60.112 0.3 . 1 . . . . . 161 ILE CA . 51495 1 1591 . 1 . 1 161 161 ILE CB C 13 41.371 0.3 . 1 . . . . . 161 ILE CB . 51495 1 1592 . 1 . 1 161 161 ILE CG1 C 13 28.559 0.3 . 1 . . . . . 161 ILE CG1 . 51495 1 1593 . 1 . 1 161 161 ILE CG2 C 13 18.497 0.3 . 1 . . . . . 161 ILE CG2 . 51495 1 1594 . 1 . 1 161 161 ILE CD1 C 13 16.130 0.3 . 1 . . . . . 161 ILE CD1 . 51495 1 1595 . 1 . 1 162 162 THR H H 1 8.777 0.020 . 1 . . . . . 162 THR H . 51495 1 1596 . 1 . 1 162 162 THR HA H 1 4.478 0.020 . 1 . . . . . 162 THR HA . 51495 1 1597 . 1 . 1 162 162 THR HB H 1 3.938 0.020 . 1 . . . . . 162 THR HB . 51495 1 1598 . 1 . 1 162 162 THR HG21 H 1 1.083 0.020 . 1 . . . . . 162 THR HG2 . 51495 1 1599 . 1 . 1 162 162 THR HG22 H 1 1.083 0.020 . 1 . . . . . 162 THR HG2 . 51495 1 1600 . 1 . 1 162 162 THR HG23 H 1 1.083 0.020 . 1 . . . . . 162 THR HG2 . 51495 1 1601 . 1 . 1 162 162 THR C C 13 172.985 0.3 . 1 . . . . . 162 THR C . 51495 1 1602 . 1 . 1 162 162 THR CA C 13 60.614 0.3 . 1 . . . . . 162 THR CA . 51495 1 1603 . 1 . 1 162 162 THR CB C 13 71.552 0.3 . 1 . . . . . 162 THR CB . 51495 1 1604 . 1 . 1 162 162 THR CG2 C 13 20.946 0.3 . 1 . . . . . 162 THR CG2 . 51495 1 1605 . 1 . 1 162 162 THR N N 15 122.506 0.3 . 1 . . . . . 162 THR N . 51495 1 1606 . 1 . 1 163 163 GLN HA H 1 4.280 0.020 . 1 . . . . . 163 GLN HA . 51495 1 1607 . 1 . 1 163 163 GLN HB2 H 1 2.195 0.020 . 1 . . . . . 163 GLN HB2 . 51495 1 1608 . 1 . 1 163 163 GLN HB3 H 1 2.195 0.020 . 1 . . . . . 163 GLN HB3 . 51495 1 1609 . 1 . 1 163 163 GLN HG2 H 1 2.348 0.020 . 1 . . . . . 163 GLN HG2 . 51495 1 1610 . 1 . 1 163 163 GLN HG3 H 1 2.348 0.020 . 1 . . . . . 163 GLN HG3 . 51495 1 1611 . 1 . 1 163 163 GLN C C 13 175.122 0.3 . 1 . . . . . 163 GLN C . 51495 1 1612 . 1 . 1 163 163 GLN CA C 13 56.511 0.3 . 1 . . . . . 163 GLN CA . 51495 1 1613 . 1 . 1 163 163 GLN CB C 13 27.164 0.3 . 1 . . . . . 163 GLN CB . 51495 1 1614 . 1 . 1 163 163 GLN CG C 13 35.956 0.3 . 1 . . . . . 163 GLN CG . 51495 1 1615 . 1 . 1 164 164 THR H H 1 8.531 0.020 . 1 . . . . . 164 THR H . 51495 1 1616 . 1 . 1 164 164 THR HA H 1 4.157 0.020 . 1 . . . . . 164 THR HA . 51495 1 1617 . 1 . 1 164 164 THR HB H 1 4.049 0.020 . 1 . . . . . 164 THR HB . 51495 1 1618 . 1 . 1 164 164 THR HG21 H 1 1.093 0.020 . 1 . . . . . 164 THR HG2 . 51495 1 1619 . 1 . 1 164 164 THR HG22 H 1 1.093 0.020 . 1 . . . . . 164 THR HG2 . 51495 1 1620 . 1 . 1 164 164 THR HG23 H 1 1.093 0.020 . 1 . . . . . 164 THR HG2 . 51495 1 1621 . 1 . 1 164 164 THR CA C 13 62.359 0.3 . 1 . . . . . 164 THR CA . 51495 1 1622 . 1 . 1 164 164 THR CB C 13 68.755 0.3 . 1 . . . . . 164 THR CB . 51495 1 1623 . 1 . 1 164 164 THR CG2 C 13 23.036 0.3 . 1 . . . . . 164 THR CG2 . 51495 1 1624 . 1 . 1 164 164 THR N N 15 122.127 0.3 . 1 . . . . . 164 THR N . 51495 1 1625 . 1 . 1 165 165 GLN H H 1 7.300 0.020 . 1 . . . . . 165 GLN H . 51495 1 1626 . 1 . 1 165 165 GLN HA H 1 4.565 0.020 . 1 . . . . . 165 GLN HA . 51495 1 1627 . 1 . 1 165 165 GLN HB2 H 1 2.479 0.020 . 2 . . . . . 165 GLN HB2 . 51495 1 1628 . 1 . 1 165 165 GLN HB3 H 1 2.410 0.020 . 2 . . . . . 165 GLN HB3 . 51495 1 1629 . 1 . 1 165 165 GLN HG2 H 1 2.516 0.020 . 2 . . . . . 165 GLN HG2 . 51495 1 1630 . 1 . 1 165 165 GLN HG3 H 1 2.416 0.020 . 2 . . . . . 165 GLN HG3 . 51495 1 1631 . 1 . 1 165 165 GLN C C 13 175.728 0.3 . 1 . . . . . 165 GLN C . 51495 1 1632 . 1 . 1 165 165 GLN CA C 13 55.532 0.3 . 1 . . . . . 165 GLN CA . 51495 1 1633 . 1 . 1 165 165 GLN CB C 13 32.286 0.3 . 1 . . . . . 165 GLN CB . 51495 1 1634 . 1 . 1 165 165 GLN CG C 13 36.252 0.3 . 1 . . . . . 165 GLN CG . 51495 1 1635 . 1 . 1 165 165 GLN N N 15 117.624 0.3 . 1 . . . . . 165 GLN N . 51495 1 1636 . 1 . 1 166 166 ASN H H 1 8.887 0.020 . 1 . . . . . 166 ASN H . 51495 1 1637 . 1 . 1 166 166 ASN HA H 1 5.224 0.020 . 1 . . . . . 166 ASN HA . 51495 1 1638 . 1 . 1 166 166 ASN HB2 H 1 2.707 0.020 . 2 . . . . . 166 ASN HB2 . 51495 1 1639 . 1 . 1 166 166 ASN HB3 H 1 2.322 0.020 . 2 . . . . . 166 ASN HB3 . 51495 1 1640 . 1 . 1 166 166 ASN C C 13 176.360 0.3 . 1 . . . . . 166 ASN C . 51495 1 1641 . 1 . 1 166 166 ASN CA C 13 50.938 0.3 . 1 . . . . . 166 ASN CA . 51495 1 1642 . 1 . 1 166 166 ASN CB C 13 40.957 0.3 . 1 . . . . . 166 ASN CB . 51495 1 1643 . 1 . 1 166 166 ASN N N 15 122.348 0.3 . 1 . . . . . 166 ASN N . 51495 1 1644 . 1 . 1 167 167 ARG H H 1 9.200 0.020 . 1 . . . . . 167 ARG H . 51495 1 1645 . 1 . 1 167 167 ARG HA H 1 4.399 0.020 . 1 . . . . . 167 ARG HA . 51495 1 1646 . 1 . 1 167 167 ARG HB2 H 1 1.817 0.020 . 2 . . . . . 167 ARG HB2 . 51495 1 1647 . 1 . 1 167 167 ARG HB3 H 1 1.789 0.020 . 2 . . . . . 167 ARG HB3 . 51495 1 1648 . 1 . 1 167 167 ARG HG2 H 1 1.708 0.020 . 1 . . . . . 167 ARG HG2 . 51495 1 1649 . 1 . 1 167 167 ARG HG3 H 1 1.708 0.020 . 1 . . . . . 167 ARG HG3 . 51495 1 1650 . 1 . 1 167 167 ARG HD2 H 1 3.482 0.020 . 2 . . . . . 167 ARG HD2 . 51495 1 1651 . 1 . 1 167 167 ARG HD3 H 1 3.194 0.020 . 2 . . . . . 167 ARG HD3 . 51495 1 1652 . 1 . 1 167 167 ARG C C 13 179.173 0.3 . 1 . . . . . 167 ARG C . 51495 1 1653 . 1 . 1 167 167 ARG CA C 13 58.811 0.3 . 1 . . . . . 167 ARG CA . 51495 1 1654 . 1 . 1 167 167 ARG CB C 13 30.963 0.3 . 1 . . . . . 167 ARG CB . 51495 1 1655 . 1 . 1 167 167 ARG CG C 13 29.704 0.3 . 1 . . . . . 167 ARG CG . 51495 1 1656 . 1 . 1 167 167 ARG CD C 13 41.857 0.3 . 1 . . . . . 167 ARG CD . 51495 1 1657 . 1 . 1 167 167 ARG N N 15 131.155 0.3 . 1 . . . . . 167 ARG N . 51495 1 1658 . 1 . 1 168 168 ASP H H 1 8.452 0.020 . 1 . . . . . 168 ASP H . 51495 1 1659 . 1 . 1 168 168 ASP HA H 1 4.367 0.020 . 1 . . . . . 168 ASP HA . 51495 1 1660 . 1 . 1 168 168 ASP HB2 H 1 2.516 0.020 . 2 . . . . . 168 ASP HB2 . 51495 1 1661 . 1 . 1 168 168 ASP HB3 H 1 2.498 0.020 . 2 . . . . . 168 ASP HB3 . 51495 1 1662 . 1 . 1 168 168 ASP C C 13 177.177 0.3 . 1 . . . . . 168 ASP C . 51495 1 1663 . 1 . 1 168 168 ASP CA C 13 56.353 0.3 . 1 . . . . . 168 ASP CA . 51495 1 1664 . 1 . 1 168 168 ASP CB C 13 39.849 0.3 . 1 . . . . . 168 ASP CB . 51495 1 1665 . 1 . 1 168 168 ASP N N 15 118.847 0.3 . 1 . . . . . 168 ASP N . 51495 1 1666 . 1 . 1 169 169 GLU H H 1 7.381 0.020 . 1 . . . . . 169 GLU H . 51495 1 1667 . 1 . 1 169 169 GLU HA H 1 5.405 0.020 . 1 . . . . . 169 GLU HA . 51495 1 1668 . 1 . 1 169 169 GLU HB2 H 1 2.080 0.020 . 2 . . . . . 169 GLU HB2 . 51495 1 1669 . 1 . 1 169 169 GLU HB3 H 1 1.873 0.020 . 2 . . . . . 169 GLU HB3 . 51495 1 1670 . 1 . 1 169 169 GLU HG2 H 1 2.503 0.020 . 2 . . . . . 169 GLU HG2 . 51495 1 1671 . 1 . 1 169 169 GLU HG3 H 1 2.300 0.020 . 2 . . . . . 169 GLU HG3 . 51495 1 1672 . 1 . 1 169 169 GLU C C 13 176.612 0.3 . 1 . . . . . 169 GLU C . 51495 1 1673 . 1 . 1 169 169 GLU CA C 13 55.028 0.3 . 1 . . . . . 169 GLU CA . 51495 1 1674 . 1 . 1 169 169 GLU CB C 13 29.769 0.3 . 1 . . . . . 169 GLU CB . 51495 1 1675 . 1 . 1 169 169 GLU CG C 13 35.950 0.3 . 1 . . . . . 169 GLU CG . 51495 1 1676 . 1 . 1 169 169 GLU N N 15 116.471 0.3 . 1 . . . . . 169 GLU N . 51495 1 1677 . 1 . 1 170 170 GLY H H 1 7.591 0.020 . 1 . . . . . 170 GLY H . 51495 1 1678 . 1 . 1 170 170 GLY HA2 H 1 4.368 0.020 . 2 . . . . . 170 GLY HA2 . 51495 1 1679 . 1 . 1 170 170 GLY HA3 H 1 3.634 0.020 . 2 . . . . . 170 GLY HA3 . 51495 1 1680 . 1 . 1 170 170 GLY C C 13 174.257 0.3 . 1 . . . . . 170 GLY C . 51495 1 1681 . 1 . 1 170 170 GLY CA C 13 44.862 0.3 . 1 . . . . . 170 GLY CA . 51495 1 1682 . 1 . 1 170 170 GLY N N 15 107.053 0.3 . 1 . . . . . 170 GLY N . 51495 1 1683 . 1 . 1 171 171 ALA H H 1 7.109 0.020 . 1 . . . . . 171 ALA H . 51495 1 1684 . 1 . 1 171 171 ALA HA H 1 4.271 0.020 . 1 . . . . . 171 ALA HA . 51495 1 1685 . 1 . 1 171 171 ALA HB1 H 1 1.433 0.020 . 1 . . . . . 171 ALA HB . 51495 1 1686 . 1 . 1 171 171 ALA HB2 H 1 1.433 0.020 . 1 . . . . . 171 ALA HB . 51495 1 1687 . 1 . 1 171 171 ALA HB3 H 1 1.433 0.020 . 1 . . . . . 171 ALA HB . 51495 1 1688 . 1 . 1 171 171 ALA C C 13 177.132 0.3 . 1 . . . . . 171 ALA C . 51495 1 1689 . 1 . 1 171 171 ALA CA C 13 51.917 0.3 . 1 . . . . . 171 ALA CA . 51495 1 1690 . 1 . 1 171 171 ALA CB C 13 19.376 0.3 . 1 . . . . . 171 ALA CB . 51495 1 1691 . 1 . 1 171 171 ALA N N 15 122.805 0.3 . 1 . . . . . 171 ALA N . 51495 1 1692 . 1 . 1 172 172 GLU H H 1 8.569 0.020 . 1 . . . . . 172 GLU H . 51495 1 1693 . 1 . 1 172 172 GLU HA H 1 4.504 0.020 . 1 . . . . . 172 GLU HA . 51495 1 1694 . 1 . 1 172 172 GLU HB2 H 1 2.197 0.020 . 2 . . . . . 172 GLU HB2 . 51495 1 1695 . 1 . 1 172 172 GLU HB3 H 1 2.019 0.020 . 2 . . . . . 172 GLU HB3 . 51495 1 1696 . 1 . 1 172 172 GLU HG2 H 1 2.537 0.020 . 2 . . . . . 172 GLU HG2 . 51495 1 1697 . 1 . 1 172 172 GLU HG3 H 1 2.455 0.020 . 2 . . . . . 172 GLU HG3 . 51495 1 1698 . 1 . 1 172 172 GLU C C 13 176.956 0.3 . 1 . . . . . 172 GLU C . 51495 1 1699 . 1 . 1 172 172 GLU CA C 13 59.131 0.3 . 1 . . . . . 172 GLU CA . 51495 1 1700 . 1 . 1 172 172 GLU CB C 13 29.768 0.3 . 1 . . . . . 172 GLU CB . 51495 1 1701 . 1 . 1 172 172 GLU CG C 13 36.584 0.3 . 1 . . . . . 172 GLU CG . 51495 1 1702 . 1 . 1 172 172 GLU N N 15 120.455 0.3 . 1 . . . . . 172 GLU N . 51495 1 1703 . 1 . 1 173 173 HIS H H 1 6.968 0.020 . 1 . . . . . 173 HIS H . 51495 1 1704 . 1 . 1 173 173 HIS HA H 1 4.463 0.020 . 1 . . . . . 173 HIS HA . 51495 1 1705 . 1 . 1 173 173 HIS HB2 H 1 3.178 0.020 . 2 . . . . . 173 HIS HB2 . 51495 1 1706 . 1 . 1 173 173 HIS HB3 H 1 3.113 0.020 . 2 . . . . . 173 HIS HB3 . 51495 1 1707 . 1 . 1 173 173 HIS C C 13 171.298 0.3 . 1 . . . . . 173 HIS C . 51495 1 1708 . 1 . 1 173 173 HIS CA C 13 54.870 0.3 . 1 . . . . . 173 HIS CA . 51495 1 1709 . 1 . 1 173 173 HIS CB C 13 29.773 0.3 . 1 . . . . . 173 HIS CB . 51495 1 1710 . 1 . 1 173 173 HIS N N 15 106.902 0.3 . 1 . . . . . 173 HIS N . 51495 1 1711 . 1 . 1 174 174 ASP H H 1 8.085 0.020 . 1 . . . . . 174 ASP H . 51495 1 1712 . 1 . 1 174 174 ASP HA H 1 4.594 0.020 . 1 . . . . . 174 ASP HA . 51495 1 1713 . 1 . 1 174 174 ASP HB2 H 1 2.760 0.020 . 2 . . . . . 174 ASP HB2 . 51495 1 1714 . 1 . 1 174 174 ASP HB3 H 1 2.269 0.020 . 2 . . . . . 174 ASP HB3 . 51495 1 1715 . 1 . 1 174 174 ASP C C 13 173.759 0.3 . 1 . . . . . 174 ASP C . 51495 1 1716 . 1 . 1 174 174 ASP CA C 13 54.705 0.3 . 1 . . . . . 174 ASP CA . 51495 1 1717 . 1 . 1 174 174 ASP CB C 13 44.623 0.3 . 1 . . . . . 174 ASP CB . 51495 1 1718 . 1 . 1 174 174 ASP N N 15 118.317 0.3 . 1 . . . . . 174 ASP N . 51495 1 1719 . 1 . 1 175 175 GLU H H 1 7.674 0.020 . 1 . . . . . 175 GLU H . 51495 1 1720 . 1 . 1 175 175 GLU HA H 1 5.200 0.020 . 1 . . . . . 175 GLU HA . 51495 1 1721 . 1 . 1 175 175 GLU HB2 H 1 2.131 0.020 . 2 . . . . . 175 GLU HB2 . 51495 1 1722 . 1 . 1 175 175 GLU HB3 H 1 2.080 0.020 . 2 . . . . . 175 GLU HB3 . 51495 1 1723 . 1 . 1 175 175 GLU HG2 H 1 2.321 0.020 . 2 . . . . . 175 GLU HG2 . 51495 1 1724 . 1 . 1 175 175 GLU HG3 H 1 2.271 0.020 . 2 . . . . . 175 GLU HG3 . 51495 1 1725 . 1 . 1 175 175 GLU C C 13 174.111 0.3 . 1 . . . . . 175 GLU C . 51495 1 1726 . 1 . 1 175 175 GLU CA C 13 54.337 0.3 . 1 . . . . . 175 GLU CA . 51495 1 1727 . 1 . 1 175 175 GLU CB C 13 34.305 0.3 . 1 . . . . . 175 GLU CB . 51495 1 1728 . 1 . 1 175 175 GLU CG C 13 35.576 0.3 . 1 . . . . . 175 GLU CG . 51495 1 1729 . 1 . 1 175 175 GLU N N 15 121.910 0.3 . 1 . . . . . 175 GLU N . 51495 1 1730 . 1 . 1 176 176 PHE H H 1 9.123 0.020 . 1 . . . . . 176 PHE H . 51495 1 1731 . 1 . 1 176 176 PHE HA H 1 5.097 0.020 . 1 . . . . . 176 PHE HA . 51495 1 1732 . 1 . 1 176 176 PHE HB2 H 1 3.116 0.020 . 2 . . . . . 176 PHE HB2 . 51495 1 1733 . 1 . 1 176 176 PHE HB3 H 1 3.697 0.020 . 2 . . . . . 176 PHE HB3 . 51495 1 1734 . 1 . 1 176 176 PHE C C 13 173.687 0.3 . 1 . . . . . 176 PHE C . 51495 1 1735 . 1 . 1 176 176 PHE CA C 13 56.007 0.3 . 1 . . . . . 176 PHE CA . 51495 1 1736 . 1 . 1 176 176 PHE CB C 13 42.155 0.3 . 1 . . . . . 176 PHE CB . 51495 1 1737 . 1 . 1 176 176 PHE N N 15 121.084 0.3 . 1 . . . . . 176 PHE N . 51495 1 1738 . 1 . 1 177 177 LEU H H 1 9.317 0.020 . 1 . . . . . 177 LEU H . 51495 1 1739 . 1 . 1 177 177 LEU HA H 1 4.999 0.020 . 1 . . . . . 177 LEU HA . 51495 1 1740 . 1 . 1 177 177 LEU HB2 H 1 1.651 0.020 . 2 . . . . . 177 LEU HB2 . 51495 1 1741 . 1 . 1 177 177 LEU HB3 H 1 1.561 0.020 . 2 . . . . . 177 LEU HB3 . 51495 1 1742 . 1 . 1 177 177 LEU HG H 1 1.654 0.020 . 1 . . . . . 177 LEU HG . 51495 1 1743 . 1 . 1 177 177 LEU HD11 H 1 0.958 0.020 . 1 . . . . . 177 LEU HD1 . 51495 1 1744 . 1 . 1 177 177 LEU HD12 H 1 0.958 0.020 . 1 . . . . . 177 LEU HD1 . 51495 1 1745 . 1 . 1 177 177 LEU HD13 H 1 0.958 0.020 . 1 . . . . . 177 LEU HD1 . 51495 1 1746 . 1 . 1 177 177 LEU HD21 H 1 0.914 0.020 . 1 . . . . . 177 LEU HD2 . 51495 1 1747 . 1 . 1 177 177 LEU HD22 H 1 0.914 0.020 . 1 . . . . . 177 LEU HD2 . 51495 1 1748 . 1 . 1 177 177 LEU HD23 H 1 0.914 0.020 . 1 . . . . . 177 LEU HD2 . 51495 1 1749 . 1 . 1 177 177 LEU C C 13 175.656 0.3 . 1 . . . . . 177 LEU C . 51495 1 1750 . 1 . 1 177 177 LEU CA C 13 54.873 0.3 . 1 . . . . . 177 LEU CA . 51495 1 1751 . 1 . 1 177 177 LEU CB C 13 42.206 0.3 . 1 . . . . . 177 LEU CB . 51495 1 1752 . 1 . 1 177 177 LEU CG C 13 27.228 0.3 . 1 . . . . . 177 LEU CG . 51495 1 1753 . 1 . 1 177 177 LEU CD1 C 13 25.661 0.3 . 1 . . . . . 177 LEU CD1 . 51495 1 1754 . 1 . 1 177 177 LEU CD2 C 13 23.209 0.3 . 1 . . . . . 177 LEU CD2 . 51495 1 1755 . 1 . 1 177 177 LEU N N 15 126.898 0.3 . 1 . . . . . 177 LEU N . 51495 1 1756 . 1 . 1 178 178 VAL H H 1 9.335 0.020 . 1 . . . . . 178 VAL H . 51495 1 1757 . 1 . 1 178 178 VAL HA H 1 4.405 0.020 . 1 . . . . . 178 VAL HA . 51495 1 1758 . 1 . 1 178 178 VAL HB H 1 2.117 0.020 . 1 . . . . . 178 VAL HB . 51495 1 1759 . 1 . 1 178 178 VAL HG11 H 1 0.841 0.020 . 1 . . . . . 178 VAL HG1 . 51495 1 1760 . 1 . 1 178 178 VAL HG12 H 1 0.841 0.020 . 1 . . . . . 178 VAL HG1 . 51495 1 1761 . 1 . 1 178 178 VAL HG13 H 1 0.841 0.020 . 1 . . . . . 178 VAL HG1 . 51495 1 1762 . 1 . 1 178 178 VAL HG21 H 1 1.228 0.020 . 1 . . . . . 178 VAL HG2 . 51495 1 1763 . 1 . 1 178 178 VAL HG22 H 1 1.228 0.020 . 1 . . . . . 178 VAL HG2 . 51495 1 1764 . 1 . 1 178 178 VAL HG23 H 1 1.228 0.020 . 1 . . . . . 178 VAL HG2 . 51495 1 1765 . 1 . 1 178 178 VAL C C 13 174.216 0.3 . 1 . . . . . 178 VAL C . 51495 1 1766 . 1 . 1 178 178 VAL CA C 13 61.469 0.3 . 1 . . . . . 178 VAL CA . 51495 1 1767 . 1 . 1 178 178 VAL CB C 13 33.069 0.3 . 1 . . . . . 178 VAL CB . 51495 1 1768 . 1 . 1 178 178 VAL CG1 C 13 21.887 0.3 . 1 . . . . . 178 VAL CG1 . 51495 1 1769 . 1 . 1 178 178 VAL CG2 C 13 21.774 0.3 . 1 . . . . . 178 VAL CG2 . 51495 1 1770 . 1 . 1 178 178 VAL N N 15 129.091 0.3 . 1 . . . . . 178 VAL N . 51495 1 1771 . 1 . 1 179 179 ILE H H 1 8.716 0.020 . 1 . . . . . 179 ILE H . 51495 1 1772 . 1 . 1 179 179 ILE HA H 1 4.947 0.020 . 1 . . . . . 179 ILE HA . 51495 1 1773 . 1 . 1 179 179 ILE HB H 1 1.786 0.020 . 1 . . . . . 179 ILE HB . 51495 1 1774 . 1 . 1 179 179 ILE HG12 H 1 1.547 0.020 . 2 . . . . . 179 ILE HG12 . 51495 1 1775 . 1 . 1 179 179 ILE HG13 H 1 1.241 0.020 . 2 . . . . . 179 ILE HG13 . 51495 1 1776 . 1 . 1 179 179 ILE HG21 H 1 0.918 0.020 . 1 . . . . . 179 ILE HG2 . 51495 1 1777 . 1 . 1 179 179 ILE HG22 H 1 0.918 0.020 . 1 . . . . . 179 ILE HG2 . 51495 1 1778 . 1 . 1 179 179 ILE HG23 H 1 0.918 0.020 . 1 . . . . . 179 ILE HG2 . 51495 1 1779 . 1 . 1 179 179 ILE HD11 H 1 0.836 0.020 . 1 . . . . . 179 ILE HD1 . 51495 1 1780 . 1 . 1 179 179 ILE HD12 H 1 0.836 0.020 . 1 . . . . . 179 ILE HD1 . 51495 1 1781 . 1 . 1 179 179 ILE HD13 H 1 0.836 0.020 . 1 . . . . . 179 ILE HD1 . 51495 1 1782 . 1 . 1 179 179 ILE C C 13 175.939 0.3 . 1 . . . . . 179 ILE C . 51495 1 1783 . 1 . 1 179 179 ILE CA C 13 59.627 0.3 . 1 . . . . . 179 ILE CA . 51495 1 1784 . 1 . 1 179 179 ILE CB C 13 39.072 0.3 . 1 . . . . . 179 ILE CB . 51495 1 1785 . 1 . 1 179 179 ILE CG1 C 13 27.662 0.3 . 1 . . . . . 179 ILE CG1 . 51495 1 1786 . 1 . 1 179 179 ILE CG2 C 13 16.908 0.3 . 1 . . . . . 179 ILE CG2 . 51495 1 1787 . 1 . 1 179 179 ILE CD1 C 13 12.529 0.3 . 1 . . . . . 179 ILE CD1 . 51495 1 1788 . 1 . 1 179 179 ILE N N 15 127.865 0.3 . 1 . . . . . 179 ILE N . 51495 1 1789 . 1 . 1 180 180 TYR H H 1 8.245 0.020 . 1 . . . . . 180 TYR H . 51495 1 1790 . 1 . 1 180 180 TYR HA H 1 5.917 0.020 . 1 . . . . . 180 TYR HA . 51495 1 1791 . 1 . 1 180 180 TYR HB2 H 1 2.517 0.020 . 2 . . . . . 180 TYR HB2 . 51495 1 1792 . 1 . 1 180 180 TYR HB3 H 1 2.773 0.020 . 2 . . . . . 180 TYR HB3 . 51495 1 1793 . 1 . 1 180 180 TYR HD1 H 1 6.769 0.020 . 1 . . . . . 180 TYR HD1 . 51495 1 1794 . 1 . 1 180 180 TYR C C 13 173.689 0.3 . 1 . . . . . 180 TYR C . 51495 1 1795 . 1 . 1 180 180 TYR CA C 13 54.543 0.3 . 1 . . . . . 180 TYR CA . 51495 1 1796 . 1 . 1 180 180 TYR CB C 13 41.949 0.3 . 1 . . . . . 180 TYR CB . 51495 1 1797 . 1 . 1 180 180 TYR CD1 C 13 132.887 0.3 . 1 . . . . . 180 TYR CD1 . 51495 1 1798 . 1 . 1 180 180 TYR N N 15 123.749 0.3 . 1 . . . . . 180 TYR N . 51495 1 1799 . 1 . 1 181 181 LYS H H 1 8.410 0.020 . 1 . . . . . 181 LYS H . 51495 1 1800 . 1 . 1 181 181 LYS HA H 1 4.781 0.020 . 1 . . . . . 181 LYS HA . 51495 1 1801 . 1 . 1 181 181 LYS HB2 H 1 1.855 0.020 . 2 . . . . . 181 LYS HB2 . 51495 1 1802 . 1 . 1 181 181 LYS HB3 H 1 1.720 0.020 . 2 . . . . . 181 LYS HB3 . 51495 1 1803 . 1 . 1 181 181 LYS HG2 H 1 1.368 0.020 . 2 . . . . . 181 LYS HG2 . 51495 1 1804 . 1 . 1 181 181 LYS HG3 H 1 1.311 0.020 . 2 . . . . . 181 LYS HG3 . 51495 1 1805 . 1 . 1 181 181 LYS HD2 H 1 1.625 0.020 . 1 . . . . . 181 LYS HD2 . 51495 1 1806 . 1 . 1 181 181 LYS HD3 H 1 1.625 0.020 . 1 . . . . . 181 LYS HD3 . 51495 1 1807 . 1 . 1 181 181 LYS HE2 H 1 2.903 0.020 . 1 . . . . . 181 LYS HE2 . 51495 1 1808 . 1 . 1 181 181 LYS HE3 H 1 2.903 0.020 . 1 . . . . . 181 LYS HE3 . 51495 1 1809 . 1 . 1 181 181 LYS C C 13 173.330 0.3 . 1 . . . . . 181 LYS C . 51495 1 1810 . 1 . 1 181 181 LYS CA C 13 53.391 0.3 . 1 . . . . . 181 LYS CA . 51495 1 1811 . 1 . 1 181 181 LYS CB C 13 34.274 0.3 . 1 . . . . . 181 LYS CB . 51495 1 1812 . 1 . 1 181 181 LYS CG C 13 23.774 0.3 . 1 . . . . . 181 LYS CG . 51495 1 1813 . 1 . 1 181 181 LYS CD C 13 29.069 0.3 . 1 . . . . . 181 LYS CD . 51495 1 1814 . 1 . 1 181 181 LYS CE C 13 41.879 0.3 . 1 . . . . . 181 LYS CE . 51495 1 1815 . 1 . 1 181 181 LYS N N 15 119.357 0.3 . 1 . . . . . 181 LYS N . 51495 1 stop_ save_