data_51470 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51470 _Entry.Title ; apo macro domain of Hepatitis E virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-23 _Entry.Accession_date 2022-05-23 _Entry.Last_release_date 2022-05-23 _Entry.Original_release_date 2022-05-23 _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 '1H, 13C, 15N backbone resonance assignment of apo macro domain of Hepatitis E virus through solution NMR Spectroscopy' _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 Maria Politi . D. . 000-0001-6823-3167 51470 2 Angelo Gallo . . . 0000-0001-9778-4822 51470 3 Georgios Spyroulias . A. . 0000-0003-1799-3312 51470 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51470 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 579 51470 '15N chemical shifts' 132 51470 '1H chemical shifts' 890 51470 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 . . 2023-07-28 2022-05-23 update BMRB 'update entry citation' 51470 1 . . 2022-10-28 2022-05-23 original author 'original release' 51470 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51471 'ADPr bound macro domain of Hepatitis E virus' 51470 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51470 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36272047 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone resonance assignment of apo and ADP-ribose bound forms of the macro domain of Hepatitis E virus through solution NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _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 1 _Citation.Page_last 8 _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 Maria Politi M. D. . . 51470 1 2 Angelo Gallo A. . . . 51470 1 3 Georgios Bouras G. . . . 51470 1 4 Maria Birkou M. . . . 51470 1 5 Bruno Canard B. . . . 51470 1 6 Bruno Coutard B. . . . 51470 1 7 Georgios Spyroulias G. A. . . 51470 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chemical shift assignment' 51470 1 'Macro Domains' 51470 1 'NMR solution' 51470 1 'Viral Proteins' 51470 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51470 _Assembly.ID 1 _Assembly.Name 'apo HEV MD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _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 . _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 'apo HEV MD' 1 $entity_1 . . yes native no no . . . 51470 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'No interaction' 51470 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51470 _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 ; MHQAARHRRLLFTYPDGSKV FAGSLFESTCTWLVNASNVD HRPGGGLCHAFYQRYPASFD AASFVMRDGAAAYTLTPRPI IHAVAPDYRLEHNPKMLEAA YRETCSRLGTAAYPLLGTGI YQVPIGPSFDAWERNHRPGD ELYLPELAARWFEANLEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The real sequence start with H-2 that corresponds to residue 772 of the native protein.' _Entity.Polymer_author_seq_details ; The cloned plasmid attached to the native protein presents one artificial N-terminal residue (M-1), four C-terminal residues (LE) and six histidines. ; _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 163 _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 Uniprot P29324 . 'ORF1a residue 772-925' . . . . . . . . . . . . . . 51470 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 0 MET . 51470 1 2 1 HIS . 51470 1 3 2 GLN . 51470 1 4 3 ALA . 51470 1 5 4 ALA . 51470 1 6 5 ARG . 51470 1 7 6 HIS . 51470 1 8 7 ARG . 51470 1 9 8 ARG . 51470 1 10 9 LEU . 51470 1 11 10 LEU . 51470 1 12 11 PHE . 51470 1 13 12 THR . 51470 1 14 13 TYR . 51470 1 15 14 PRO . 51470 1 16 15 ASP . 51470 1 17 16 GLY . 51470 1 18 17 SER . 51470 1 19 18 LYS . 51470 1 20 19 VAL . 51470 1 21 20 PHE . 51470 1 22 21 ALA . 51470 1 23 22 GLY . 51470 1 24 23 SER . 51470 1 25 24 LEU . 51470 1 26 25 PHE . 51470 1 27 26 GLU . 51470 1 28 27 SER . 51470 1 29 28 THR . 51470 1 30 29 CYS . 51470 1 31 30 THR . 51470 1 32 31 TRP . 51470 1 33 32 LEU . 51470 1 34 33 VAL . 51470 1 35 34 ASN . 51470 1 36 35 ALA . 51470 1 37 36 SER . 51470 1 38 37 ASN . 51470 1 39 38 VAL . 51470 1 40 39 ASP . 51470 1 41 40 HIS . 51470 1 42 41 ARG . 51470 1 43 42 PRO . 51470 1 44 43 GLY . 51470 1 45 44 GLY . 51470 1 46 45 GLY . 51470 1 47 46 LEU . 51470 1 48 47 CYS . 51470 1 49 48 HIS . 51470 1 50 49 ALA . 51470 1 51 50 PHE . 51470 1 52 51 TYR . 51470 1 53 52 GLN . 51470 1 54 53 ARG . 51470 1 55 54 TYR . 51470 1 56 55 PRO . 51470 1 57 56 ALA . 51470 1 58 57 SER . 51470 1 59 58 PHE . 51470 1 60 59 ASP . 51470 1 61 60 ALA . 51470 1 62 61 ALA . 51470 1 63 62 SER . 51470 1 64 63 PHE . 51470 1 65 64 VAL . 51470 1 66 65 MET . 51470 1 67 66 ARG . 51470 1 68 67 ASP . 51470 1 69 68 GLY . 51470 1 70 69 ALA . 51470 1 71 70 ALA . 51470 1 72 71 ALA . 51470 1 73 72 TYR . 51470 1 74 73 THR . 51470 1 75 74 LEU . 51470 1 76 75 THR . 51470 1 77 76 PRO . 51470 1 78 77 ARG . 51470 1 79 78 PRO . 51470 1 80 79 ILE . 51470 1 81 80 ILE . 51470 1 82 81 HIS . 51470 1 83 82 ALA . 51470 1 84 83 VAL . 51470 1 85 84 ALA . 51470 1 86 85 PRO . 51470 1 87 86 ASP . 51470 1 88 87 TYR . 51470 1 89 88 ARG . 51470 1 90 89 LEU . 51470 1 91 90 GLU . 51470 1 92 91 HIS . 51470 1 93 92 ASN . 51470 1 94 93 PRO . 51470 1 95 94 LYS . 51470 1 96 95 MET . 51470 1 97 96 LEU . 51470 1 98 97 GLU . 51470 1 99 98 ALA . 51470 1 100 99 ALA . 51470 1 101 100 TYR . 51470 1 102 101 ARG . 51470 1 103 102 GLU . 51470 1 104 103 THR . 51470 1 105 104 CYS . 51470 1 106 105 SER . 51470 1 107 106 ARG . 51470 1 108 107 LEU . 51470 1 109 108 GLY . 51470 1 110 109 THR . 51470 1 111 110 ALA . 51470 1 112 111 ALA . 51470 1 113 112 TYR . 51470 1 114 113 PRO . 51470 1 115 114 LEU . 51470 1 116 115 LEU . 51470 1 117 116 GLY . 51470 1 118 117 THR . 51470 1 119 118 GLY . 51470 1 120 119 ILE . 51470 1 121 120 TYR . 51470 1 122 121 GLN . 51470 1 123 122 VAL . 51470 1 124 123 PRO . 51470 1 125 124 ILE . 51470 1 126 125 GLY . 51470 1 127 126 PRO . 51470 1 128 127 SER . 51470 1 129 128 PHE . 51470 1 130 129 ASP . 51470 1 131 130 ALA . 51470 1 132 131 TRP . 51470 1 133 132 GLU . 51470 1 134 133 ARG . 51470 1 135 134 ASN . 51470 1 136 135 HIS . 51470 1 137 136 ARG . 51470 1 138 137 PRO . 51470 1 139 138 GLY . 51470 1 140 139 ASP . 51470 1 141 140 GLU . 51470 1 142 141 LEU . 51470 1 143 142 TYR . 51470 1 144 143 LEU . 51470 1 145 144 PRO . 51470 1 146 145 GLU . 51470 1 147 146 LEU . 51470 1 148 147 ALA . 51470 1 149 148 ALA . 51470 1 150 149 ARG . 51470 1 151 150 TRP . 51470 1 152 151 PHE . 51470 1 153 152 GLU . 51470 1 154 153 ALA . 51470 1 155 154 ASN . 51470 1 156 155 LEU . 51470 1 157 156 GLU . 51470 1 158 157 HIS . 51470 1 159 158 HIS . 51470 1 160 159 HIS . 51470 1 161 160 HIS . 51470 1 162 161 HIS . 51470 1 163 162 HIS . 51470 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 51470 1 . HIS 2 2 51470 1 . GLN 3 3 51470 1 . ALA 4 4 51470 1 . ALA 5 5 51470 1 . ARG 6 6 51470 1 . HIS 7 7 51470 1 . ARG 8 8 51470 1 . ARG 9 9 51470 1 . LEU 10 10 51470 1 . LEU 11 11 51470 1 . PHE 12 12 51470 1 . THR 13 13 51470 1 . TYR 14 14 51470 1 . PRO 15 15 51470 1 . ASP 16 16 51470 1 . GLY 17 17 51470 1 . SER 18 18 51470 1 . LYS 19 19 51470 1 . VAL 20 20 51470 1 . PHE 21 21 51470 1 . ALA 22 22 51470 1 . GLY 23 23 51470 1 . SER 24 24 51470 1 . LEU 25 25 51470 1 . PHE 26 26 51470 1 . GLU 27 27 51470 1 . SER 28 28 51470 1 . THR 29 29 51470 1 . CYS 30 30 51470 1 . THR 31 31 51470 1 . TRP 32 32 51470 1 . LEU 33 33 51470 1 . VAL 34 34 51470 1 . ASN 35 35 51470 1 . ALA 36 36 51470 1 . SER 37 37 51470 1 . ASN 38 38 51470 1 . VAL 39 39 51470 1 . ASP 40 40 51470 1 . HIS 41 41 51470 1 . ARG 42 42 51470 1 . PRO 43 43 51470 1 . GLY 44 44 51470 1 . GLY 45 45 51470 1 . GLY 46 46 51470 1 . LEU 47 47 51470 1 . CYS 48 48 51470 1 . HIS 49 49 51470 1 . ALA 50 50 51470 1 . PHE 51 51 51470 1 . TYR 52 52 51470 1 . GLN 53 53 51470 1 . ARG 54 54 51470 1 . TYR 55 55 51470 1 . PRO 56 56 51470 1 . ALA 57 57 51470 1 . SER 58 58 51470 1 . PHE 59 59 51470 1 . ASP 60 60 51470 1 . ALA 61 61 51470 1 . ALA 62 62 51470 1 . SER 63 63 51470 1 . PHE 64 64 51470 1 . VAL 65 65 51470 1 . MET 66 66 51470 1 . ARG 67 67 51470 1 . ASP 68 68 51470 1 . GLY 69 69 51470 1 . ALA 70 70 51470 1 . ALA 71 71 51470 1 . ALA 72 72 51470 1 . TYR 73 73 51470 1 . THR 74 74 51470 1 . LEU 75 75 51470 1 . THR 76 76 51470 1 . PRO 77 77 51470 1 . ARG 78 78 51470 1 . PRO 79 79 51470 1 . ILE 80 80 51470 1 . ILE 81 81 51470 1 . HIS 82 82 51470 1 . ALA 83 83 51470 1 . VAL 84 84 51470 1 . ALA 85 85 51470 1 . PRO 86 86 51470 1 . ASP 87 87 51470 1 . TYR 88 88 51470 1 . ARG 89 89 51470 1 . LEU 90 90 51470 1 . GLU 91 91 51470 1 . HIS 92 92 51470 1 . ASN 93 93 51470 1 . PRO 94 94 51470 1 . LYS 95 95 51470 1 . MET 96 96 51470 1 . LEU 97 97 51470 1 . GLU 98 98 51470 1 . ALA 99 99 51470 1 . ALA 100 100 51470 1 . TYR 101 101 51470 1 . ARG 102 102 51470 1 . GLU 103 103 51470 1 . THR 104 104 51470 1 . CYS 105 105 51470 1 . SER 106 106 51470 1 . ARG 107 107 51470 1 . LEU 108 108 51470 1 . GLY 109 109 51470 1 . THR 110 110 51470 1 . ALA 111 111 51470 1 . ALA 112 112 51470 1 . TYR 113 113 51470 1 . PRO 114 114 51470 1 . LEU 115 115 51470 1 . LEU 116 116 51470 1 . GLY 117 117 51470 1 . THR 118 118 51470 1 . GLY 119 119 51470 1 . ILE 120 120 51470 1 . TYR 121 121 51470 1 . GLN 122 122 51470 1 . VAL 123 123 51470 1 . PRO 124 124 51470 1 . ILE 125 125 51470 1 . GLY 126 126 51470 1 . PRO 127 127 51470 1 . SER 128 128 51470 1 . PHE 129 129 51470 1 . ASP 130 130 51470 1 . ALA 131 131 51470 1 . TRP 132 132 51470 1 . GLU 133 133 51470 1 . ARG 134 134 51470 1 . ASN 135 135 51470 1 . HIS 136 136 51470 1 . ARG 137 137 51470 1 . PRO 138 138 51470 1 . GLY 139 139 51470 1 . ASP 140 140 51470 1 . GLU 141 141 51470 1 . LEU 142 142 51470 1 . TYR 143 143 51470 1 . LEU 144 144 51470 1 . PRO 145 145 51470 1 . GLU 146 146 51470 1 . LEU 147 147 51470 1 . ALA 148 148 51470 1 . ALA 149 149 51470 1 . ARG 150 150 51470 1 . TRP 151 151 51470 1 . PHE 152 152 51470 1 . GLU 153 153 51470 1 . ALA 154 154 51470 1 . ASN 155 155 51470 1 . LEU 156 156 51470 1 . GLU 157 157 51470 1 . HIS 158 158 51470 1 . HIS 159 159 51470 1 . HIS 160 160 51470 1 . HIS 161 161 51470 1 . HIS 162 162 51470 1 . HIS 163 163 51470 1 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 51470 _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 . 1678143 organism . 'Orthohepevirus A' 'Hepatitis E virus' . . Viruses . Orthohepevirus 'Orthohepevirus A' . . . . . . . . . . . ORF1 'Hepatitis E virus genotype 1' 51470 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 51470 _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 'Rosetta2 (DE3)(pLysS)' . . plasmid . . pET20b(+) . . . 51470 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51470 _Sample.ID 1 _Sample.Name 'sample 1' _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 apo_MD_HEV '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51470 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 51470 1 3 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 51470 1 4 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 51470 1 5 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51470 1 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 51470 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample condition 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' 10 . mM 51470 1 pH 5.4 . pH 51470 1 pressure 1 . atm 51470 1 temperature 298 . K 51470 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51470 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51470 1 processing . 51470 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51470 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.2a4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51470 2 'data analysis' . 51470 2 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 51470 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 51470 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 3 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 4 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 5 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 6 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 8 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 9 '3D HNCO' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 10 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 11 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 12 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 13 '3D 1H-13C NOESY aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 1 14 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51470 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 51470 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 51470 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 51470 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51470 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 51470 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chemical shift 1' _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 51470 1 4 '3D CBCANH' . . . 51470 1 5 '3D CBCA(CO)NH' . . . 51470 1 6 '3D HNCA' . . . 51470 1 7 '3D HN(CO)CA' . . . 51470 1 8 '3D HN(CA)CO' . . . 51470 1 9 '3D HNCO' . . . 51470 1 10 '3D HBHA(CO)NH' . . . 51470 1 11 '3D (H)CCH-TOCSY' . . . 51470 1 14 '2D 1H-13C HSQC' . . . 51470 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51470 1 2 $software_2 . . 51470 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.621 0.020 . 1 . . . . . 0 MET HA . 51470 1 2 . 1 . 1 1 1 MET C C 13 174.132 0.3 . 1 . . . . . 0 MET C . 51470 1 3 . 1 . 1 1 1 MET CA C 13 55.501 0.3 . 1 . . . . . 0 MET CA . 51470 1 4 . 1 . 1 1 1 MET CB C 13 28.792 0.3 . 1 . . . . . 0 MET CB . 51470 1 5 . 1 . 1 1 1 MET CG C 13 29.060 0.3 . 1 . . . . . 0 MET CG . 51470 1 6 . 1 . 1 2 2 HIS H H 1 8.403 0.020 . 1 . . . . . 1 HIS H . 51470 1 7 . 1 . 1 2 2 HIS HA H 1 4.627 0.020 . 1 . . . . . 1 HIS HA . 51470 1 8 . 1 . 1 2 2 HIS HB2 H 1 3.087 0.020 . 2 . . . . . 1 HIS HB2 . 51470 1 9 . 1 . 1 2 2 HIS HB3 H 1 3.187 0.020 . 2 . . . . . 1 HIS HB3 . 51470 1 10 . 1 . 1 2 2 HIS C C 13 173.965 0.3 . 1 . . . . . 1 HIS C . 51470 1 11 . 1 . 1 2 2 HIS CA C 13 55.533 0.3 . 1 . . . . . 1 HIS CA . 51470 1 12 . 1 . 1 2 2 HIS CB C 13 28.992 0.3 . 1 . . . . . 1 HIS CB . 51470 1 13 . 1 . 1 2 2 HIS N N 15 119.263 0.3 . 1 . . . . . 1 HIS N . 51470 1 14 . 1 . 1 3 3 GLN H H 1 8.601 0.020 . 1 . . . . . 2 GLN H . 51470 1 15 . 1 . 1 3 3 GLN HA H 1 4.296 0.020 . 1 . . . . . 2 GLN HA . 51470 1 16 . 1 . 1 3 3 GLN HB2 H 1 2.044 0.020 . 2 . . . . . 2 GLN HB2 . 51470 1 17 . 1 . 1 3 3 GLN HB3 H 1 1.943 0.020 . 2 . . . . . 2 GLN HB3 . 51470 1 18 . 1 . 1 3 3 GLN HG2 H 1 2.348 0.020 . 1 . . . . . 2 GLN HG2 . 51470 1 19 . 1 . 1 3 3 GLN HG3 H 1 2.348 0.020 . 1 . . . . . 2 GLN HG3 . 51470 1 20 . 1 . 1 3 3 GLN C C 13 175.257 0.3 . 1 . . . . . 2 GLN C . 51470 1 21 . 1 . 1 3 3 GLN CA C 13 55.677 0.3 . 1 . . . . . 2 GLN CA . 51470 1 22 . 1 . 1 3 3 GLN CB C 13 29.658 0.3 . 1 . . . . . 2 GLN CB . 51470 1 23 . 1 . 1 3 3 GLN CG C 13 33.488 0.3 . 1 . . . . . 2 GLN CG . 51470 1 24 . 1 . 1 3 3 GLN N N 15 123.535 0.3 . 1 . . . . . 2 GLN N . 51470 1 25 . 1 . 1 4 4 ALA H H 1 8.470 0.020 . 1 . . . . . 3 ALA H . 51470 1 26 . 1 . 1 4 4 ALA HA H 1 4.272 0.020 . 1 . . . . . 3 ALA HA . 51470 1 27 . 1 . 1 4 4 ALA HB1 H 1 1.365 0.020 . 1 . . . . . 3 ALA HB . 51470 1 28 . 1 . 1 4 4 ALA HB2 H 1 1.365 0.020 . 1 . . . . . 3 ALA HB . 51470 1 29 . 1 . 1 4 4 ALA HB3 H 1 1.365 0.020 . 1 . . . . . 3 ALA HB . 51470 1 30 . 1 . 1 4 4 ALA C C 13 177.215 0.3 . 1 . . . . . 3 ALA C . 51470 1 31 . 1 . 1 4 4 ALA CA C 13 52.426 0.3 . 1 . . . . . 3 ALA CA . 51470 1 32 . 1 . 1 4 4 ALA CB C 13 19.400 0.3 . 1 . . . . . 3 ALA CB . 51470 1 33 . 1 . 1 4 4 ALA N N 15 126.282 0.3 . 1 . . . . . 3 ALA N . 51470 1 34 . 1 . 1 5 5 ALA H H 1 8.304 0.020 . 1 . . . . . 4 ALA H . 51470 1 35 . 1 . 1 5 5 ALA HA H 1 4.247 0.020 . 1 . . . . . 4 ALA HA . 51470 1 36 . 1 . 1 5 5 ALA HB1 H 1 1.320 0.020 . 1 . . . . . 4 ALA HB . 51470 1 37 . 1 . 1 5 5 ALA HB2 H 1 1.320 0.020 . 1 . . . . . 4 ALA HB . 51470 1 38 . 1 . 1 5 5 ALA HB3 H 1 1.320 0.020 . 1 . . . . . 4 ALA HB . 51470 1 39 . 1 . 1 5 5 ALA C C 13 177.370 0.3 . 1 . . . . . 4 ALA C . 51470 1 40 . 1 . 1 5 5 ALA CA C 13 52.301 0.3 . 1 . . . . . 4 ALA CA . 51470 1 41 . 1 . 1 5 5 ALA CB C 13 19.253 0.3 . 1 . . . . . 4 ALA CB . 51470 1 42 . 1 . 1 5 5 ALA N N 15 123.803 0.3 . 1 . . . . . 4 ALA N . 51470 1 43 . 1 . 1 6 6 ARG H H 1 8.261 0.020 . 1 . . . . . 5 ARG H . 51470 1 44 . 1 . 1 6 6 ARG HA H 1 4.235 0.020 . 1 . . . . . 5 ARG HA . 51470 1 45 . 1 . 1 6 6 ARG HB2 H 1 1.813 0.020 . 2 . . . . . 5 ARG HB2 . 51470 1 46 . 1 . 1 6 6 ARG HB3 H 1 1.681 0.020 . 2 . . . . . 5 ARG HB3 . 51470 1 47 . 1 . 1 6 6 ARG HG2 H 1 1.504 0.020 . 2 . . . . . 5 ARG HG2 . 51470 1 48 . 1 . 1 6 6 ARG HG3 H 1 1.687 0.020 . 2 . . . . . 5 ARG HG3 . 51470 1 49 . 1 . 1 6 6 ARG HD2 H 1 3.169 0.020 . 2 . . . . . 5 ARG HD2 . 51470 1 50 . 1 . 1 6 6 ARG HD3 H 1 3.124 0.020 . 2 . . . . . 5 ARG HD3 . 51470 1 51 . 1 . 1 6 6 ARG C C 13 176.232 0.3 . 1 . . . . . 5 ARG C . 51470 1 52 . 1 . 1 6 6 ARG CA C 13 56.137 0.3 . 1 . . . . . 5 ARG CA . 51470 1 53 . 1 . 1 6 6 ARG CB C 13 31.069 0.3 . 1 . . . . . 5 ARG CB . 51470 1 54 . 1 . 1 6 6 ARG CG C 13 27.428 0.3 . 1 . . . . . 5 ARG CG . 51470 1 55 . 1 . 1 6 6 ARG CD C 13 43.220 0.3 . 1 . . . . . 5 ARG CD . 51470 1 56 . 1 . 1 6 6 ARG N N 15 120.564 0.3 . 1 . . . . . 5 ARG N . 51470 1 57 . 1 . 1 7 7 HIS H H 1 9.279 0.020 . 1 . . . . . 6 HIS H . 51470 1 58 . 1 . 1 7 7 HIS HA H 1 5.007 0.020 . 1 . . . . . 6 HIS HA . 51470 1 59 . 1 . 1 7 7 HIS HB2 H 1 3.476 0.020 . 2 . . . . . 6 HIS HB2 . 51470 1 60 . 1 . 1 7 7 HIS HB3 H 1 3.127 0.020 . 2 . . . . . 6 HIS HB3 . 51470 1 61 . 1 . 1 7 7 HIS C C 13 175.026 0.3 . 1 . . . . . 6 HIS C . 51470 1 62 . 1 . 1 7 7 HIS CA C 13 54.938 0.3 . 1 . . . . . 6 HIS CA . 51470 1 63 . 1 . 1 7 7 HIS CB C 13 30.374 0.3 . 1 . . . . . 6 HIS CB . 51470 1 64 . 1 . 1 7 7 HIS N N 15 120.293 0.3 . 1 . . . . . 6 HIS N . 51470 1 65 . 1 . 1 8 8 ARG H H 1 9.665 0.020 . 1 . . . . . 7 ARG H . 51470 1 66 . 1 . 1 8 8 ARG HA H 1 4.929 0.020 . 1 . . . . . 7 ARG HA . 51470 1 67 . 1 . 1 8 8 ARG HB2 H 1 1.712 0.020 . 1 . . . . . 7 ARG HB2 . 51470 1 68 . 1 . 1 8 8 ARG HB3 H 1 1.712 0.020 . 1 . . . . . 7 ARG HB3 . 51470 1 69 . 1 . 1 8 8 ARG HG2 H 1 1.923 0.020 . 1 . . . . . 7 ARG HG2 . 51470 1 70 . 1 . 1 8 8 ARG HG3 H 1 1.923 0.020 . 1 . . . . . 7 ARG HG3 . 51470 1 71 . 1 . 1 8 8 ARG HD2 H 1 3.121 0.020 . 1 . . . . . 7 ARG HD2 . 51470 1 72 . 1 . 1 8 8 ARG HD3 H 1 3.121 0.020 . 1 . . . . . 7 ARG HD3 . 51470 1 73 . 1 . 1 8 8 ARG C C 13 174.461 0.3 . 1 . . . . . 7 ARG C . 51470 1 74 . 1 . 1 8 8 ARG CA C 13 56.311 0.3 . 1 . . . . . 7 ARG CA . 51470 1 75 . 1 . 1 8 8 ARG CB C 13 29.742 0.3 . 1 . . . . . 7 ARG CB . 51470 1 76 . 1 . 1 8 8 ARG CG C 13 25.057 0.3 . 1 . . . . . 7 ARG CG . 51470 1 77 . 1 . 1 8 8 ARG CD C 13 43.417 0.3 . 1 . . . . . 7 ARG CD . 51470 1 78 . 1 . 1 8 8 ARG N N 15 122.524 0.3 . 1 . . . . . 7 ARG N . 51470 1 79 . 1 . 1 9 9 ARG H H 1 8.835 0.020 . 1 . . . . . 8 ARG H . 51470 1 80 . 1 . 1 9 9 ARG HA H 1 4.936 0.020 . 1 . . . . . 8 ARG HA . 51470 1 81 . 1 . 1 9 9 ARG HB2 H 1 1.908 0.020 . 2 . . . . . 8 ARG HB2 . 51470 1 82 . 1 . 1 9 9 ARG HB3 H 1 1.798 0.020 . 2 . . . . . 8 ARG HB3 . 51470 1 83 . 1 . 1 9 9 ARG HG2 H 1 1.702 0.020 . 2 . . . . . 8 ARG HG2 . 51470 1 84 . 1 . 1 9 9 ARG HG3 H 1 1.521 0.020 . 2 . . . . . 8 ARG HG3 . 51470 1 85 . 1 . 1 9 9 ARG HD2 H 1 3.212 0.020 . 1 . . . . . 8 ARG HD2 . 51470 1 86 . 1 . 1 9 9 ARG HD3 H 1 3.212 0.020 . 1 . . . . . 8 ARG HD3 . 51470 1 87 . 1 . 1 9 9 ARG C C 13 174.938 0.3 . 1 . . . . . 8 ARG C . 51470 1 88 . 1 . 1 9 9 ARG CA C 13 55.899 0.3 . 1 . . . . . 8 ARG CA . 51470 1 89 . 1 . 1 9 9 ARG CB C 13 33.549 0.3 . 1 . . . . . 8 ARG CB . 51470 1 90 . 1 . 1 9 9 ARG CG C 13 27.789 0.3 . 1 . . . . . 8 ARG CG . 51470 1 91 . 1 . 1 9 9 ARG CD C 13 43.477 0.3 . 1 . . . . . 8 ARG CD . 51470 1 92 . 1 . 1 9 9 ARG N N 15 121.371 0.3 . 1 . . . . . 8 ARG N . 51470 1 93 . 1 . 1 10 10 LEU H H 1 9.046 0.020 . 1 . . . . . 9 LEU H . 51470 1 94 . 1 . 1 10 10 LEU HA H 1 3.745 0.020 . 1 . . . . . 9 LEU HA . 51470 1 95 . 1 . 1 10 10 LEU HB2 H 1 1.760 0.020 . 2 . . . . . 9 LEU HB2 . 51470 1 96 . 1 . 1 10 10 LEU HB3 H 1 1.281 0.020 . 2 . . . . . 9 LEU HB3 . 51470 1 97 . 1 . 1 10 10 LEU HG H 1 0.679 0.020 . 1 . . . . . 9 LEU HG . 51470 1 98 . 1 . 1 10 10 LEU HD11 H 1 0.086 0.020 . 1 . . . . . 9 LEU HD1 . 51470 1 99 . 1 . 1 10 10 LEU HD12 H 1 0.086 0.020 . 1 . . . . . 9 LEU HD1 . 51470 1 100 . 1 . 1 10 10 LEU HD13 H 1 0.086 0.020 . 1 . . . . . 9 LEU HD1 . 51470 1 101 . 1 . 1 10 10 LEU HD21 H 1 0.091 0.020 . 1 . . . . . 9 LEU HD2 . 51470 1 102 . 1 . 1 10 10 LEU HD22 H 1 0.091 0.020 . 1 . . . . . 9 LEU HD2 . 51470 1 103 . 1 . 1 10 10 LEU HD23 H 1 0.091 0.020 . 1 . . . . . 9 LEU HD2 . 51470 1 104 . 1 . 1 10 10 LEU C C 13 175.954 0.3 . 1 . . . . . 9 LEU C . 51470 1 105 . 1 . 1 10 10 LEU CA C 13 56.076 0.3 . 1 . . . . . 9 LEU CA . 51470 1 106 . 1 . 1 10 10 LEU CB C 13 41.593 0.3 . 1 . . . . . 9 LEU CB . 51470 1 107 . 1 . 1 10 10 LEU CG C 13 26.309 0.3 . 1 . . . . . 9 LEU CG . 51470 1 108 . 1 . 1 10 10 LEU CD1 C 13 21.631 0.3 . 1 . . . . . 9 LEU CD1 . 51470 1 109 . 1 . 1 10 10 LEU CD2 C 13 21.286 0.3 . 1 . . . . . 9 LEU CD2 . 51470 1 110 . 1 . 1 10 10 LEU N N 15 129.493 0.3 . 1 . . . . . 9 LEU N . 51470 1 111 . 1 . 1 11 11 LEU H H 1 9.383 0.020 . 1 . . . . . 10 LEU H . 51470 1 112 . 1 . 1 11 11 LEU HA H 1 4.534 0.020 . 1 . . . . . 10 LEU HA . 51470 1 113 . 1 . 1 11 11 LEU HB2 H 1 1.363 0.020 . 1 . . . . . 10 LEU HB2 . 51470 1 114 . 1 . 1 11 11 LEU HB3 H 1 1.363 0.020 . 1 . . . . . 10 LEU HB3 . 51470 1 115 . 1 . 1 11 11 LEU HG H 1 0.743 0.020 . 1 . . . . . 10 LEU HG . 51470 1 116 . 1 . 1 11 11 LEU HD11 H 1 0.766 0.020 . 1 . . . . . 10 LEU HD1 . 51470 1 117 . 1 . 1 11 11 LEU HD12 H 1 0.766 0.020 . 1 . . . . . 10 LEU HD1 . 51470 1 118 . 1 . 1 11 11 LEU HD13 H 1 0.766 0.020 . 1 . . . . . 10 LEU HD1 . 51470 1 119 . 1 . 1 11 11 LEU HD21 H 1 0.760 0.020 . 1 . . . . . 10 LEU HD2 . 51470 1 120 . 1 . 1 11 11 LEU HD22 H 1 0.760 0.020 . 1 . . . . . 10 LEU HD2 . 51470 1 121 . 1 . 1 11 11 LEU HD23 H 1 0.760 0.020 . 1 . . . . . 10 LEU HD2 . 51470 1 122 . 1 . 1 11 11 LEU C C 13 177.454 0.3 . 1 . . . . . 10 LEU C . 51470 1 123 . 1 . 1 11 11 LEU CA C 13 55.397 0.3 . 1 . . . . . 10 LEU CA . 51470 1 124 . 1 . 1 11 11 LEU CB C 13 42.894 0.3 . 1 . . . . . 10 LEU CB . 51470 1 125 . 1 . 1 11 11 LEU CG C 13 26.247 0.3 . 1 . . . . . 10 LEU CG . 51470 1 126 . 1 . 1 11 11 LEU CD1 C 13 21.936 0.3 . 1 . . . . . 10 LEU CD1 . 51470 1 127 . 1 . 1 11 11 LEU CD2 C 13 21.697 0.3 . 1 . . . . . 10 LEU CD2 . 51470 1 128 . 1 . 1 11 11 LEU N N 15 127.120 0.3 . 1 . . . . . 10 LEU N . 51470 1 129 . 1 . 1 12 12 PHE H H 1 7.440 0.020 . 1 . . . . . 11 PHE H . 51470 1 130 . 1 . 1 12 12 PHE HA H 1 4.386 0.020 . 1 . . . . . 11 PHE HA . 51470 1 131 . 1 . 1 12 12 PHE HB2 H 1 3.418 0.020 . 2 . . . . . 11 PHE HB2 . 51470 1 132 . 1 . 1 12 12 PHE HB3 H 1 2.335 0.020 . 2 . . . . . 11 PHE HB3 . 51470 1 133 . 1 . 1 12 12 PHE C C 13 172.069 0.3 . 1 . . . . . 11 PHE C . 51470 1 134 . 1 . 1 12 12 PHE CA C 13 59.086 0.3 . 1 . . . . . 11 PHE CA . 51470 1 135 . 1 . 1 12 12 PHE CB C 13 44.215 0.3 . 1 . . . . . 11 PHE CB . 51470 1 136 . 1 . 1 12 12 PHE N N 15 116.943 0.3 . 1 . . . . . 11 PHE N . 51470 1 137 . 1 . 1 13 13 THR H H 1 6.990 0.020 . 1 . . . . . 12 THR H . 51470 1 138 . 1 . 1 13 13 THR HA H 1 4.812 0.020 . 1 . . . . . 12 THR HA . 51470 1 139 . 1 . 1 13 13 THR HB H 1 3.560 0.020 . 1 . . . . . 12 THR HB . 51470 1 140 . 1 . 1 13 13 THR HG21 H 1 1.201 0.020 . 1 . . . . . 12 THR HG2 . 51470 1 141 . 1 . 1 13 13 THR HG22 H 1 1.201 0.020 . 1 . . . . . 12 THR HG2 . 51470 1 142 . 1 . 1 13 13 THR HG23 H 1 1.201 0.020 . 1 . . . . . 12 THR HG2 . 51470 1 143 . 1 . 1 13 13 THR C C 13 173.127 0.3 . 1 . . . . . 12 THR C . 51470 1 144 . 1 . 1 13 13 THR CA C 13 61.581 0.3 . 1 . . . . . 12 THR CA . 51470 1 145 . 1 . 1 13 13 THR CB C 13 69.968 0.3 . 1 . . . . . 12 THR CB . 51470 1 146 . 1 . 1 13 13 THR CG2 C 13 20.779 0.3 . 1 . . . . . 12 THR CG2 . 51470 1 147 . 1 . 1 13 13 THR N N 15 122.250 0.3 . 1 . . . . . 12 THR N . 51470 1 148 . 1 . 1 14 14 TYR H H 1 9.241 0.020 . 1 . . . . . 13 TYR H . 51470 1 149 . 1 . 1 14 14 TYR HA H 1 4.375 0.020 . 1 . . . . . 13 TYR HA . 51470 1 150 . 1 . 1 14 14 TYR HB2 H 1 3.313 0.020 . 2 . . . . . 13 TYR HB2 . 51470 1 151 . 1 . 1 14 14 TYR HB3 H 1 3.138 0.020 . 2 . . . . . 13 TYR HB3 . 51470 1 152 . 1 . 1 14 14 TYR C C 13 176.704 0.3 . 1 . . . . . 13 TYR C . 51470 1 153 . 1 . 1 14 14 TYR CA C 13 58.448 0.3 . 1 . . . . . 13 TYR CA . 51470 1 154 . 1 . 1 14 14 TYR CB C 13 38.773 0.3 . 1 . . . . . 13 TYR CB . 51470 1 155 . 1 . 1 14 14 TYR N N 15 125.563 0.3 . 1 . . . . . 13 TYR N . 51470 1 156 . 1 . 1 15 15 PRO HA H 1 4.390 0.020 . 1 . . . . . 14 PRO HA . 51470 1 157 . 1 . 1 15 15 PRO HB2 H 1 2.489 0.020 . 2 . . . . . 14 PRO HB2 . 51470 1 158 . 1 . 1 15 15 PRO HB3 H 1 2.047 0.020 . 2 . . . . . 14 PRO HB3 . 51470 1 159 . 1 . 1 15 15 PRO HG2 H 1 2.280 0.020 . 1 . . . . . 14 PRO HG2 . 51470 1 160 . 1 . 1 15 15 PRO HG3 H 1 2.280 0.020 . 1 . . . . . 14 PRO HG3 . 51470 1 161 . 1 . 1 15 15 PRO HD2 H 1 3.993 0.020 . 1 . . . . . 14 PRO HD2 . 51470 1 162 . 1 . 1 15 15 PRO HD3 H 1 3.993 0.020 . 1 . . . . . 14 PRO HD3 . 51470 1 163 . 1 . 1 15 15 PRO C C 13 176.884 0.3 . 1 . . . . . 14 PRO C . 51470 1 164 . 1 . 1 15 15 PRO CA C 13 65.362 0.3 . 1 . . . . . 14 PRO CA . 51470 1 165 . 1 . 1 15 15 PRO CB C 13 31.761 0.3 . 1 . . . . . 14 PRO CB . 51470 1 166 . 1 . 1 15 15 PRO CG C 13 27.860 0.3 . 1 . . . . . 14 PRO CG . 51470 1 167 . 1 . 1 15 15 PRO CD C 13 51.003 0.3 . 1 . . . . . 14 PRO CD . 51470 1 168 . 1 . 1 16 16 ASP H H 1 7.630 0.020 . 1 . . . . . 15 ASP H . 51470 1 169 . 1 . 1 16 16 ASP HA H 1 4.562 0.020 . 1 . . . . . 15 ASP HA . 51470 1 170 . 1 . 1 16 16 ASP HB2 H 1 2.673 0.020 . 2 . . . . . 15 ASP HB2 . 51470 1 171 . 1 . 1 16 16 ASP HB3 H 1 3.088 0.020 . 2 . . . . . 15 ASP HB3 . 51470 1 172 . 1 . 1 16 16 ASP C C 13 176.976 0.3 . 1 . . . . . 15 ASP C . 51470 1 173 . 1 . 1 16 16 ASP CA C 13 53.571 0.3 . 1 . . . . . 15 ASP CA . 51470 1 174 . 1 . 1 16 16 ASP CB C 13 39.797 0.3 . 1 . . . . . 15 ASP CB . 51470 1 175 . 1 . 1 16 16 ASP N N 15 113.254 0.3 . 1 . . . . . 15 ASP N . 51470 1 176 . 1 . 1 17 17 GLY H H 1 8.371 0.020 . 1 . . . . . 16 GLY H . 51470 1 177 . 1 . 1 17 17 GLY HA2 H 1 4.347 0.020 . 2 . . . . . 16 GLY HA2 . 51470 1 178 . 1 . 1 17 17 GLY HA3 H 1 3.624 0.020 . 2 . . . . . 16 GLY HA3 . 51470 1 179 . 1 . 1 17 17 GLY C C 13 175.157 0.3 . 1 . . . . . 16 GLY C . 51470 1 180 . 1 . 1 17 17 GLY CA C 13 45.070 0.3 . 1 . . . . . 16 GLY CA . 51470 1 181 . 1 . 1 17 17 GLY N N 15 107.652 0.3 . 1 . . . . . 16 GLY N . 51470 1 182 . 1 . 1 18 18 SER H H 1 8.548 0.020 . 1 . . . . . 17 SER H . 51470 1 183 . 1 . 1 18 18 SER HA H 1 5.082 0.020 . 1 . . . . . 17 SER HA . 51470 1 184 . 1 . 1 18 18 SER HB2 H 1 3.985 0.020 . 1 . . . . . 17 SER HB2 . 51470 1 185 . 1 . 1 18 18 SER HB3 H 1 3.985 0.020 . 1 . . . . . 17 SER HB3 . 51470 1 186 . 1 . 1 18 18 SER C C 13 173.346 0.3 . 1 . . . . . 17 SER C . 51470 1 187 . 1 . 1 18 18 SER CA C 13 60.312 0.3 . 1 . . . . . 17 SER CA . 51470 1 188 . 1 . 1 18 18 SER CB C 13 62.593 0.3 . 1 . . . . . 17 SER CB . 51470 1 189 . 1 . 1 18 18 SER N N 15 117.711 0.3 . 1 . . . . . 17 SER N . 51470 1 190 . 1 . 1 19 19 LYS H H 1 8.670 0.020 . 1 . . . . . 18 LYS H . 51470 1 191 . 1 . 1 19 19 LYS HA H 1 5.397 0.020 . 1 . . . . . 18 LYS HA . 51470 1 192 . 1 . 1 19 19 LYS HB2 H 1 1.395 0.020 . 2 . . . . . 18 LYS HB2 . 51470 1 193 . 1 . 1 19 19 LYS HB3 H 1 1.366 0.020 . 2 . . . . . 18 LYS HB3 . 51470 1 194 . 1 . 1 19 19 LYS HG2 H 1 1.704 0.020 . 1 . . . . . 18 LYS HG2 . 51470 1 195 . 1 . 1 19 19 LYS HG3 H 1 1.704 0.020 . 1 . . . . . 18 LYS HG3 . 51470 1 196 . 1 . 1 19 19 LYS HD2 H 1 1.472 0.020 . 2 . . . . . 18 LYS HD2 . 51470 1 197 . 1 . 1 19 19 LYS HD3 H 1 1.478 0.020 . 2 . . . . . 18 LYS HD3 . 51470 1 198 . 1 . 1 19 19 LYS HE2 H 1 3.171 0.020 . 2 . . . . . 18 LYS HE2 . 51470 1 199 . 1 . 1 19 19 LYS HE3 H 1 3.002 0.020 . 2 . . . . . 18 LYS HE3 . 51470 1 200 . 1 . 1 19 19 LYS C C 13 173.949 0.3 . 1 . . . . . 18 LYS C . 51470 1 201 . 1 . 1 19 19 LYS CA C 13 55.740 0.3 . 1 . . . . . 18 LYS CA . 51470 1 202 . 1 . 1 19 19 LYS CB C 13 39.882 0.3 . 1 . . . . . 18 LYS CB . 51470 1 203 . 1 . 1 19 19 LYS CG C 13 25.377 0.3 . 1 . . . . . 18 LYS CG . 51470 1 204 . 1 . 1 19 19 LYS CD C 13 29.222 0.3 . 1 . . . . . 18 LYS CD . 51470 1 205 . 1 . 1 19 19 LYS CE C 13 42.946 0.3 . 1 . . . . . 18 LYS CE . 51470 1 206 . 1 . 1 19 19 LYS N N 15 121.687 0.3 . 1 . . . . . 18 LYS N . 51470 1 207 . 1 . 1 20 20 VAL H H 1 8.398 0.020 . 1 . . . . . 19 VAL H . 51470 1 208 . 1 . 1 20 20 VAL HA H 1 4.503 0.020 . 1 . . . . . 19 VAL HA . 51470 1 209 . 1 . 1 20 20 VAL HB H 1 1.493 0.020 . 1 . . . . . 19 VAL HB . 51470 1 210 . 1 . 1 20 20 VAL HG11 H 1 0.087 0.020 . 1 . . . . . 19 VAL HG1 . 51470 1 211 . 1 . 1 20 20 VAL HG12 H 1 0.087 0.020 . 1 . . . . . 19 VAL HG1 . 51470 1 212 . 1 . 1 20 20 VAL HG13 H 1 0.087 0.020 . 1 . . . . . 19 VAL HG1 . 51470 1 213 . 1 . 1 20 20 VAL HG21 H 1 0.999 0.020 . 1 . . . . . 19 VAL HG2 . 51470 1 214 . 1 . 1 20 20 VAL HG22 H 1 0.999 0.020 . 1 . . . . . 19 VAL HG2 . 51470 1 215 . 1 . 1 20 20 VAL HG23 H 1 0.999 0.020 . 1 . . . . . 19 VAL HG2 . 51470 1 216 . 1 . 1 20 20 VAL C C 13 174.118 0.3 . 1 . . . . . 19 VAL C . 51470 1 217 . 1 . 1 20 20 VAL CA C 13 60.599 0.3 . 1 . . . . . 19 VAL CA . 51470 1 218 . 1 . 1 20 20 VAL CB C 13 33.530 0.3 . 1 . . . . . 19 VAL CB . 51470 1 219 . 1 . 1 20 20 VAL CG1 C 13 20.364 0.3 . 1 . . . . . 19 VAL CG1 . 51470 1 220 . 1 . 1 20 20 VAL CG2 C 13 21.237 0.3 . 1 . . . . . 19 VAL CG2 . 51470 1 221 . 1 . 1 20 20 VAL N N 15 118.839 0.3 . 1 . . . . . 19 VAL N . 51470 1 222 . 1 . 1 21 21 PHE H H 1 9.464 0.020 . 1 . . . . . 20 PHE H . 51470 1 223 . 1 . 1 21 21 PHE HA H 1 5.137 0.020 . 1 . . . . . 20 PHE HA . 51470 1 224 . 1 . 1 21 21 PHE HB2 H 1 1.667 0.020 . 2 . . . . . 20 PHE HB2 . 51470 1 225 . 1 . 1 21 21 PHE HB3 H 1 2.403 0.020 . 2 . . . . . 20 PHE HB3 . 51470 1 226 . 1 . 1 21 21 PHE C C 13 175.181 0.3 . 1 . . . . . 20 PHE C . 51470 1 227 . 1 . 1 21 21 PHE CA C 13 56.111 0.3 . 1 . . . . . 20 PHE CA . 51470 1 228 . 1 . 1 21 21 PHE CB C 13 44.187 0.3 . 1 . . . . . 20 PHE CB . 51470 1 229 . 1 . 1 21 21 PHE N N 15 125.085 0.3 . 1 . . . . . 20 PHE N . 51470 1 230 . 1 . 1 22 22 ALA H H 1 9.179 0.020 . 1 . . . . . 21 ALA H . 51470 1 231 . 1 . 1 22 22 ALA HA H 1 5.257 0.020 . 1 . . . . . 21 ALA HA . 51470 1 232 . 1 . 1 22 22 ALA HB1 H 1 1.454 0.020 . 1 . . . . . 21 ALA HB . 51470 1 233 . 1 . 1 22 22 ALA HB2 H 1 1.454 0.020 . 1 . . . . . 21 ALA HB . 51470 1 234 . 1 . 1 22 22 ALA HB3 H 1 1.454 0.020 . 1 . . . . . 21 ALA HB . 51470 1 235 . 1 . 1 22 22 ALA C C 13 177.215 0.3 . 1 . . . . . 21 ALA C . 51470 1 236 . 1 . 1 22 22 ALA CA C 13 50.489 0.3 . 1 . . . . . 21 ALA CA . 51470 1 237 . 1 . 1 22 22 ALA CB C 13 20.381 0.3 . 1 . . . . . 21 ALA CB . 51470 1 238 . 1 . 1 22 22 ALA N N 15 121.903 0.3 . 1 . . . . . 21 ALA N . 51470 1 239 . 1 . 1 23 23 GLY H H 1 8.132 0.020 . 1 . . . . . 22 GLY H . 51470 1 240 . 1 . 1 23 23 GLY HA2 H 1 4.512 0.020 . 2 . . . . . 22 GLY HA2 . 51470 1 241 . 1 . 1 23 23 GLY HA3 H 1 3.826 0.020 . 2 . . . . . 22 GLY HA3 . 51470 1 242 . 1 . 1 23 23 GLY C C 13 171.868 0.3 . 1 . . . . . 22 GLY C . 51470 1 243 . 1 . 1 23 23 GLY CA C 13 44.865 0.3 . 1 . . . . . 22 GLY CA . 51470 1 244 . 1 . 1 23 23 GLY N N 15 110.692 0.3 . 1 . . . . . 22 GLY N . 51470 1 245 . 1 . 1 24 24 SER H H 1 8.851 0.020 . 1 . . . . . 23 SER H . 51470 1 246 . 1 . 1 24 24 SER HA H 1 4.518 0.020 . 1 . . . . . 23 SER HA . 51470 1 247 . 1 . 1 24 24 SER HB2 H 1 3.860 0.020 . 2 . . . . . 23 SER HB2 . 51470 1 248 . 1 . 1 24 24 SER HB3 H 1 3.725 0.020 . 2 . . . . . 23 SER HB3 . 51470 1 249 . 1 . 1 24 24 SER C C 13 175.006 0.3 . 1 . . . . . 23 SER C . 51470 1 250 . 1 . 1 24 24 SER CA C 13 56.003 0.3 . 1 . . . . . 23 SER CA . 51470 1 251 . 1 . 1 24 24 SER CB C 13 64.248 0.3 . 1 . . . . . 23 SER CB . 51470 1 252 . 1 . 1 24 24 SER N N 15 115.226 0.3 . 1 . . . . . 23 SER N . 51470 1 253 . 1 . 1 25 25 LEU H H 1 8.160 0.020 . 1 . . . . . 24 LEU H . 51470 1 254 . 1 . 1 25 25 LEU HA H 1 1.807 0.020 . 1 . . . . . 24 LEU HA . 51470 1 255 . 1 . 1 25 25 LEU HB2 H 1 0.857 0.020 . 2 . . . . . 24 LEU HB2 . 51470 1 256 . 1 . 1 25 25 LEU HB3 H 1 1.183 0.020 . 2 . . . . . 24 LEU HB3 . 51470 1 257 . 1 . 1 25 25 LEU HG H 1 1.031 0.020 . 1 . . . . . 24 LEU HG . 51470 1 258 . 1 . 1 25 25 LEU HD11 H 1 0.362 0.020 . 1 . . . . . 24 LEU HD1 . 51470 1 259 . 1 . 1 25 25 LEU HD12 H 1 0.362 0.020 . 1 . . . . . 24 LEU HD1 . 51470 1 260 . 1 . 1 25 25 LEU HD13 H 1 0.362 0.020 . 1 . . . . . 24 LEU HD1 . 51470 1 261 . 1 . 1 25 25 LEU HD21 H 1 0.363 0.020 . 1 . . . . . 24 LEU HD2 . 51470 1 262 . 1 . 1 25 25 LEU HD22 H 1 0.363 0.020 . 1 . . . . . 24 LEU HD2 . 51470 1 263 . 1 . 1 25 25 LEU HD23 H 1 0.363 0.020 . 1 . . . . . 24 LEU HD2 . 51470 1 264 . 1 . 1 25 25 LEU C C 13 175.985 0.3 . 1 . . . . . 24 LEU C . 51470 1 265 . 1 . 1 25 25 LEU CA C 13 56.433 0.3 . 1 . . . . . 24 LEU CA . 51470 1 266 . 1 . 1 25 25 LEU CB C 13 41.818 0.3 . 1 . . . . . 24 LEU CB . 51470 1 267 . 1 . 1 25 25 LEU CG C 13 26.251 0.3 . 1 . . . . . 24 LEU CG . 51470 1 268 . 1 . 1 25 25 LEU CD1 C 13 26.018 0.3 . 1 . . . . . 24 LEU CD1 . 51470 1 269 . 1 . 1 25 25 LEU CD2 C 13 25.324 0.3 . 1 . . . . . 24 LEU CD2 . 51470 1 270 . 1 . 1 25 25 LEU N N 15 128.443 0.3 . 1 . . . . . 24 LEU N . 51470 1 271 . 1 . 1 26 26 PHE H H 1 6.834 0.020 . 1 . . . . . 25 PHE H . 51470 1 272 . 1 . 1 26 26 PHE HA H 1 4.054 0.020 . 1 . . . . . 25 PHE HA . 51470 1 273 . 1 . 1 26 26 PHE HB2 H 1 3.207 0.020 . 2 . . . . . 25 PHE HB2 . 51470 1 274 . 1 . 1 26 26 PHE HB3 H 1 2.448 0.020 . 2 . . . . . 25 PHE HB3 . 51470 1 275 . 1 . 1 26 26 PHE C C 13 176.666 0.3 . 1 . . . . . 25 PHE C . 51470 1 276 . 1 . 1 26 26 PHE CA C 13 59.467 0.3 . 1 . . . . . 25 PHE CA . 51470 1 277 . 1 . 1 26 26 PHE CB C 13 37.437 0.3 . 1 . . . . . 25 PHE CB . 51470 1 278 . 1 . 1 26 26 PHE N N 15 115.157 0.3 . 1 . . . . . 25 PHE N . 51470 1 279 . 1 . 1 27 27 GLU H H 1 7.560 0.020 . 1 . . . . . 26 GLU H . 51470 1 280 . 1 . 1 27 27 GLU HA H 1 4.146 0.020 . 1 . . . . . 26 GLU HA . 51470 1 281 . 1 . 1 27 27 GLU HB2 H 1 1.814 0.020 . 2 . . . . . 26 GLU HB2 . 51470 1 282 . 1 . 1 27 27 GLU HB3 H 1 2.060 0.020 . 2 . . . . . 26 GLU HB3 . 51470 1 283 . 1 . 1 27 27 GLU HG2 H 1 2.281 0.020 . 2 . . . . . 26 GLU HG2 . 51470 1 284 . 1 . 1 27 27 GLU HG3 H 1 2.383 0.020 . 2 . . . . . 26 GLU HG3 . 51470 1 285 . 1 . 1 27 27 GLU C C 13 175.953 0.3 . 1 . . . . . 26 GLU C . 51470 1 286 . 1 . 1 27 27 GLU CA C 13 56.514 0.3 . 1 . . . . . 26 GLU CA . 51470 1 287 . 1 . 1 27 27 GLU CB C 13 30.635 0.3 . 1 . . . . . 26 GLU CB . 51470 1 288 . 1 . 1 27 27 GLU CG C 13 36.958 0.3 . 1 . . . . . 26 GLU CG . 51470 1 289 . 1 . 1 27 27 GLU N N 15 117.811 0.3 . 1 . . . . . 26 GLU N . 51470 1 290 . 1 . 1 28 28 SER H H 1 7.275 0.020 . 1 . . . . . 27 SER H . 51470 1 291 . 1 . 1 28 28 SER HA H 1 4.050 0.020 . 1 . . . . . 27 SER HA . 51470 1 292 . 1 . 1 28 28 SER HB2 H 1 3.432 0.020 . 2 . . . . . 27 SER HB2 . 51470 1 293 . 1 . 1 28 28 SER HB3 H 1 3.874 0.020 . 2 . . . . . 27 SER HB3 . 51470 1 294 . 1 . 1 28 28 SER C C 13 177.362 0.3 . 1 . . . . . 27 SER C . 51470 1 295 . 1 . 1 28 28 SER CA C 13 59.470 0.3 . 1 . . . . . 27 SER CA . 51470 1 296 . 1 . 1 28 28 SER CB C 13 64.195 0.3 . 1 . . . . . 27 SER CB . 51470 1 297 . 1 . 1 28 28 SER N N 15 110.750 0.3 . 1 . . . . . 27 SER N . 51470 1 298 . 1 . 1 29 29 THR H H 1 9.262 0.020 . 1 . . . . . 28 THR H . 51470 1 299 . 1 . 1 29 29 THR HA H 1 4.527 0.020 . 1 . . . . . 28 THR HA . 51470 1 300 . 1 . 1 29 29 THR HB H 1 4.666 0.020 . 1 . . . . . 28 THR HB . 51470 1 301 . 1 . 1 29 29 THR HG21 H 1 1.189 0.020 . 1 . . . . . 28 THR HG2 . 51470 1 302 . 1 . 1 29 29 THR HG22 H 1 1.189 0.020 . 1 . . . . . 28 THR HG2 . 51470 1 303 . 1 . 1 29 29 THR HG23 H 1 1.189 0.020 . 1 . . . . . 28 THR HG2 . 51470 1 304 . 1 . 1 29 29 THR C C 13 175.131 0.3 . 1 . . . . . 28 THR C . 51470 1 305 . 1 . 1 29 29 THR CA C 13 61.441 0.3 . 1 . . . . . 28 THR CA . 51470 1 306 . 1 . 1 29 29 THR CB C 13 68.436 0.3 . 1 . . . . . 28 THR CB . 51470 1 307 . 1 . 1 29 29 THR CG2 C 13 21.317 0.3 . 1 . . . . . 28 THR CG2 . 51470 1 308 . 1 . 1 29 29 THR N N 15 118.527 0.3 . 1 . . . . . 28 THR N . 51470 1 309 . 1 . 1 30 30 CYS H H 1 8.933 0.020 . 1 . . . . . 29 CYS H . 51470 1 310 . 1 . 1 30 30 CYS HA H 1 4.070 0.020 . 1 . . . . . 29 CYS HA . 51470 1 311 . 1 . 1 30 30 CYS HB2 H 1 2.996 0.020 . 2 . . . . . 29 CYS HB2 . 51470 1 312 . 1 . 1 30 30 CYS HB3 H 1 2.428 0.020 . 2 . . . . . 29 CYS HB3 . 51470 1 313 . 1 . 1 30 30 CYS C C 13 173.737 0.3 . 1 . . . . . 29 CYS C . 51470 1 314 . 1 . 1 30 30 CYS CA C 13 61.567 0.3 . 1 . . . . . 29 CYS CA . 51470 1 315 . 1 . 1 30 30 CYS CB C 13 28.657 0.3 . 1 . . . . . 29 CYS CB . 51470 1 316 . 1 . 1 30 30 CYS N N 15 121.854 0.3 . 1 . . . . . 29 CYS N . 51470 1 317 . 1 . 1 31 31 THR H H 1 7.637 0.020 . 1 . . . . . 30 THR H . 51470 1 318 . 1 . 1 31 31 THR HA H 1 3.639 0.020 . 1 . . . . . 30 THR HA . 51470 1 319 . 1 . 1 31 31 THR HB H 1 4.741 0.020 . 1 . . . . . 30 THR HB . 51470 1 320 . 1 . 1 31 31 THR HG21 H 1 0.831 0.020 . 1 . . . . . 30 THR HG2 . 51470 1 321 . 1 . 1 31 31 THR HG22 H 1 0.831 0.020 . 1 . . . . . 30 THR HG2 . 51470 1 322 . 1 . 1 31 31 THR HG23 H 1 0.831 0.020 . 1 . . . . . 30 THR HG2 . 51470 1 323 . 1 . 1 31 31 THR C C 13 174.624 0.3 . 1 . . . . . 30 THR C . 51470 1 324 . 1 . 1 31 31 THR CA C 13 67.072 0.3 . 1 . . . . . 30 THR CA . 51470 1 325 . 1 . 1 31 31 THR CB C 13 68.572 0.3 . 1 . . . . . 30 THR CB . 51470 1 326 . 1 . 1 31 31 THR CG2 C 13 21.358 0.3 . 1 . . . . . 30 THR CG2 . 51470 1 327 . 1 . 1 31 31 THR N N 15 119.844 0.3 . 1 . . . . . 30 THR N . 51470 1 328 . 1 . 1 32 32 TRP H H 1 9.112 0.020 . 1 . . . . . 31 TRP H . 51470 1 329 . 1 . 1 32 32 TRP HA H 1 4.679 0.020 . 1 . . . . . 31 TRP HA . 51470 1 330 . 1 . 1 32 32 TRP HB2 H 1 2.830 0.020 . 1 . . . . . 31 TRP HB2 . 51470 1 331 . 1 . 1 32 32 TRP HB3 H 1 2.830 0.020 . 1 . . . . . 31 TRP HB3 . 51470 1 332 . 1 . 1 32 32 TRP C C 13 175.790 0.3 . 1 . . . . . 31 TRP C . 51470 1 333 . 1 . 1 32 32 TRP CA C 13 55.557 0.3 . 1 . . . . . 31 TRP CA . 51470 1 334 . 1 . 1 32 32 TRP CB C 13 31.061 0.3 . 1 . . . . . 31 TRP CB . 51470 1 335 . 1 . 1 32 32 TRP N N 15 118.201 0.3 . 1 . . . . . 31 TRP N . 51470 1 336 . 1 . 1 33 33 LEU H H 1 7.401 0.020 . 1 . . . . . 32 LEU H . 51470 1 337 . 1 . 1 33 33 LEU HA H 1 4.928 0.020 . 1 . . . . . 32 LEU HA . 51470 1 338 . 1 . 1 33 33 LEU HB2 H 1 1.807 0.020 . 2 . . . . . 32 LEU HB2 . 51470 1 339 . 1 . 1 33 33 LEU HB3 H 1 1.435 0.020 . 2 . . . . . 32 LEU HB3 . 51470 1 340 . 1 . 1 33 33 LEU HG H 1 0.810 0.020 . 1 . . . . . 32 LEU HG . 51470 1 341 . 1 . 1 33 33 LEU HD11 H 1 0.764 0.020 . 1 . . . . . 32 LEU HD1 . 51470 1 342 . 1 . 1 33 33 LEU HD12 H 1 0.764 0.020 . 1 . . . . . 32 LEU HD1 . 51470 1 343 . 1 . 1 33 33 LEU HD13 H 1 0.764 0.020 . 1 . . . . . 32 LEU HD1 . 51470 1 344 . 1 . 1 33 33 LEU HD21 H 1 0.755 0.020 . 1 . . . . . 32 LEU HD2 . 51470 1 345 . 1 . 1 33 33 LEU HD22 H 1 0.755 0.020 . 1 . . . . . 32 LEU HD2 . 51470 1 346 . 1 . 1 33 33 LEU HD23 H 1 0.755 0.020 . 1 . . . . . 32 LEU HD2 . 51470 1 347 . 1 . 1 33 33 LEU C C 13 175.186 0.3 . 1 . . . . . 32 LEU C . 51470 1 348 . 1 . 1 33 33 LEU CA C 13 53.566 0.3 . 1 . . . . . 32 LEU CA . 51470 1 349 . 1 . 1 33 33 LEU CB C 13 44.202 0.3 . 1 . . . . . 32 LEU CB . 51470 1 350 . 1 . 1 33 33 LEU CG C 13 26.286 0.3 . 1 . . . . . 32 LEU CG . 51470 1 351 . 1 . 1 33 33 LEU CD1 C 13 22.691 0.3 . 1 . . . . . 32 LEU CD1 . 51470 1 352 . 1 . 1 33 33 LEU CD2 C 13 21.969 0.3 . 1 . . . . . 32 LEU CD2 . 51470 1 353 . 1 . 1 33 33 LEU N N 15 118.285 0.3 . 1 . . . . . 32 LEU N . 51470 1 354 . 1 . 1 34 34 VAL H H 1 8.250 0.020 . 1 . . . . . 33 VAL H . 51470 1 355 . 1 . 1 34 34 VAL HA H 1 4.512 0.020 . 1 . . . . . 33 VAL HA . 51470 1 356 . 1 . 1 34 34 VAL HB H 1 2.045 0.020 . 1 . . . . . 33 VAL HB . 51470 1 357 . 1 . 1 34 34 VAL HG11 H 1 -0.005 0.020 . 1 . . . . . 33 VAL HG1 . 51470 1 358 . 1 . 1 34 34 VAL HG12 H 1 -0.005 0.020 . 1 . . . . . 33 VAL HG1 . 51470 1 359 . 1 . 1 34 34 VAL HG13 H 1 -0.005 0.020 . 1 . . . . . 33 VAL HG1 . 51470 1 360 . 1 . 1 34 34 VAL HG21 H 1 0.676 0.020 . 1 . . . . . 33 VAL HG2 . 51470 1 361 . 1 . 1 34 34 VAL HG22 H 1 0.676 0.020 . 1 . . . . . 33 VAL HG2 . 51470 1 362 . 1 . 1 34 34 VAL HG23 H 1 0.676 0.020 . 1 . . . . . 33 VAL HG2 . 51470 1 363 . 1 . 1 34 34 VAL C C 13 172.216 0.3 . 1 . . . . . 33 VAL C . 51470 1 364 . 1 . 1 34 34 VAL CA C 13 61.489 0.3 . 1 . . . . . 33 VAL CA . 51470 1 365 . 1 . 1 34 34 VAL CB C 13 32.272 0.3 . 1 . . . . . 33 VAL CB . 51470 1 366 . 1 . 1 34 34 VAL CG1 C 13 20.116 0.3 . 1 . . . . . 33 VAL CG1 . 51470 1 367 . 1 . 1 34 34 VAL CG2 C 13 21.814 0.3 . 1 . . . . . 33 VAL CG2 . 51470 1 368 . 1 . 1 34 34 VAL N N 15 122.791 0.3 . 1 . . . . . 33 VAL N . 51470 1 369 . 1 . 1 35 35 ASN H H 1 8.666 0.020 . 1 . . . . . 34 ASN H . 51470 1 370 . 1 . 1 35 35 ASN HA H 1 4.165 0.020 . 1 . . . . . 34 ASN HA . 51470 1 371 . 1 . 1 35 35 ASN HB2 H 1 0.312 0.020 . 2 . . . . . 34 ASN HB2 . 51470 1 372 . 1 . 1 35 35 ASN HB3 H 1 2.078 0.020 . 2 . . . . . 34 ASN HB3 . 51470 1 373 . 1 . 1 35 35 ASN C C 13 174.491 0.3 . 1 . . . . . 34 ASN C . 51470 1 374 . 1 . 1 35 35 ASN CA C 13 50.782 0.3 . 1 . . . . . 34 ASN CA . 51470 1 375 . 1 . 1 35 35 ASN CB C 13 39.566 0.3 . 1 . . . . . 34 ASN CB . 51470 1 376 . 1 . 1 35 35 ASN N N 15 120.754 0.3 . 1 . . . . . 34 ASN N . 51470 1 377 . 1 . 1 36 36 ALA H H 1 6.973 0.020 . 1 . . . . . 35 ALA H . 51470 1 378 . 1 . 1 36 36 ALA HA H 1 4.454 0.020 . 1 . . . . . 35 ALA HA . 51470 1 379 . 1 . 1 36 36 ALA HB1 H 1 1.339 0.020 . 1 . . . . . 35 ALA HB . 51470 1 380 . 1 . 1 36 36 ALA HB2 H 1 1.339 0.020 . 1 . . . . . 35 ALA HB . 51470 1 381 . 1 . 1 36 36 ALA HB3 H 1 1.339 0.020 . 1 . . . . . 35 ALA HB . 51470 1 382 . 1 . 1 36 36 ALA C C 13 175.124 0.3 . 1 . . . . . 35 ALA C . 51470 1 383 . 1 . 1 36 36 ALA CA C 13 50.646 0.3 . 1 . . . . . 35 ALA CA . 51470 1 384 . 1 . 1 36 36 ALA CB C 13 19.212 0.3 . 1 . . . . . 35 ALA CB . 51470 1 385 . 1 . 1 36 36 ALA N N 15 129.901 0.3 . 1 . . . . . 35 ALA N . 51470 1 386 . 1 . 1 37 37 SER H H 1 8.565 0.020 . 1 . . . . . 36 SER H . 51470 1 387 . 1 . 1 37 37 SER HA H 1 4.679 0.020 . 1 . . . . . 36 SER HA . 51470 1 388 . 1 . 1 37 37 SER HB2 H 1 3.908 0.020 . 1 . . . . . 36 SER HB2 . 51470 1 389 . 1 . 1 37 37 SER HB3 H 1 3.908 0.020 . 1 . . . . . 36 SER HB3 . 51470 1 390 . 1 . 1 37 37 SER C C 13 173.627 0.3 . 1 . . . . . 36 SER C . 51470 1 391 . 1 . 1 37 37 SER CA C 13 55.914 0.3 . 1 . . . . . 36 SER CA . 51470 1 392 . 1 . 1 37 37 SER CB C 13 64.880 0.3 . 1 . . . . . 36 SER CB . 51470 1 393 . 1 . 1 37 37 SER N N 15 118.909 0.3 . 1 . . . . . 36 SER N . 51470 1 394 . 1 . 1 38 38 ASN H H 1 8.903 0.020 . 1 . . . . . 37 ASN H . 51470 1 395 . 1 . 1 38 38 ASN HA H 1 5.060 0.020 . 1 . . . . . 37 ASN HA . 51470 1 396 . 1 . 1 38 38 ASN HB2 H 1 3.022 0.020 . 2 . . . . . 37 ASN HB2 . 51470 1 397 . 1 . 1 38 38 ASN HB3 H 1 2.991 0.020 . 2 . . . . . 37 ASN HB3 . 51470 1 398 . 1 . 1 38 38 ASN C C 13 177.083 0.3 . 1 . . . . . 37 ASN C . 51470 1 399 . 1 . 1 38 38 ASN CA C 13 51.951 0.3 . 1 . . . . . 37 ASN CA . 51470 1 400 . 1 . 1 38 38 ASN CB C 13 40.438 0.3 . 1 . . . . . 37 ASN CB . 51470 1 401 . 1 . 1 38 38 ASN N N 15 117.205 0.3 . 1 . . . . . 37 ASN N . 51470 1 402 . 1 . 1 39 39 VAL H H 1 8.515 0.020 . 1 . . . . . 38 VAL H . 51470 1 403 . 1 . 1 39 39 VAL HA H 1 3.599 0.020 . 1 . . . . . 38 VAL HA . 51470 1 404 . 1 . 1 39 39 VAL HB H 1 2.053 0.020 . 1 . . . . . 38 VAL HB . 51470 1 405 . 1 . 1 39 39 VAL HG11 H 1 0.926 0.020 . 1 . . . . . 38 VAL HG1 . 51470 1 406 . 1 . 1 39 39 VAL HG12 H 1 0.926 0.020 . 1 . . . . . 38 VAL HG1 . 51470 1 407 . 1 . 1 39 39 VAL HG13 H 1 0.926 0.020 . 1 . . . . . 38 VAL HG1 . 51470 1 408 . 1 . 1 39 39 VAL HG21 H 1 0.989 0.020 . 1 . . . . . 38 VAL HG2 . 51470 1 409 . 1 . 1 39 39 VAL HG22 H 1 0.989 0.020 . 1 . . . . . 38 VAL HG2 . 51470 1 410 . 1 . 1 39 39 VAL HG23 H 1 0.989 0.020 . 1 . . . . . 38 VAL HG2 . 51470 1 411 . 1 . 1 39 39 VAL C C 13 175.260 0.3 . 1 . . . . . 38 VAL C . 51470 1 412 . 1 . 1 39 39 VAL CA C 13 65.262 0.3 . 1 . . . . . 38 VAL CA . 51470 1 413 . 1 . 1 39 39 VAL CB C 13 31.997 0.3 . 1 . . . . . 38 VAL CB . 51470 1 414 . 1 . 1 39 39 VAL CG1 C 13 20.493 0.3 . 1 . . . . . 38 VAL CG1 . 51470 1 415 . 1 . 1 39 39 VAL CG2 C 13 21.351 0.3 . 1 . . . . . 38 VAL CG2 . 51470 1 416 . 1 . 1 39 39 VAL N N 15 118.525 0.3 . 1 . . . . . 38 VAL N . 51470 1 417 . 1 . 1 40 40 ASP HA H 1 4.557 0.020 . 1 . . . . . 39 ASP HA . 51470 1 418 . 1 . 1 40 40 ASP HB2 H 1 2.733 0.020 . 2 . . . . . 39 ASP HB2 . 51470 1 419 . 1 . 1 40 40 ASP HB3 H 1 2.549 0.020 . 2 . . . . . 39 ASP HB3 . 51470 1 420 . 1 . 1 40 40 ASP C C 13 176.914 0.3 . 1 . . . . . 39 ASP C . 51470 1 421 . 1 . 1 40 40 ASP CA C 13 53.984 0.3 . 1 . . . . . 39 ASP CA . 51470 1 422 . 1 . 1 40 40 ASP CB C 13 40.998 0.3 . 1 . . . . . 39 ASP CB . 51470 1 423 . 1 . 1 41 41 HIS H H 1 8.722 0.020 . 1 . . . . . 40 HIS H . 51470 1 424 . 1 . 1 41 41 HIS HA H 1 5.214 0.020 . 1 . . . . . 40 HIS HA . 51470 1 425 . 1 . 1 41 41 HIS HB2 H 1 3.374 0.020 . 2 . . . . . 40 HIS HB2 . 51470 1 426 . 1 . 1 41 41 HIS HB3 H 1 3.665 0.020 . 2 . . . . . 40 HIS HB3 . 51470 1 427 . 1 . 1 41 41 HIS C C 13 174.207 0.3 . 1 . . . . . 40 HIS C . 51470 1 428 . 1 . 1 41 41 HIS CA C 13 59.769 0.3 . 1 . . . . . 40 HIS CA . 51470 1 429 . 1 . 1 41 41 HIS CB C 13 25.541 0.3 . 1 . . . . . 40 HIS CB . 51470 1 430 . 1 . 1 41 41 HIS N N 15 118.668 0.3 . 1 . . . . . 40 HIS N . 51470 1 431 . 1 . 1 43 43 PRO HA H 1 3.775 0.020 . 1 . . . . . 42 PRO HA . 51470 1 432 . 1 . 1 43 43 PRO HB2 H 1 1.317 0.020 . 2 . . . . . 42 PRO HB2 . 51470 1 433 . 1 . 1 43 43 PRO HB3 H 1 1.070 0.020 . 2 . . . . . 42 PRO HB3 . 51470 1 434 . 1 . 1 43 43 PRO HG2 H 1 0.712 0.020 . 2 . . . . . 42 PRO HG2 . 51470 1 435 . 1 . 1 43 43 PRO HG3 H 1 1.368 0.020 . 2 . . . . . 42 PRO HG3 . 51470 1 436 . 1 . 1 43 43 PRO HD2 H 1 3.378 0.020 . 2 . . . . . 42 PRO HD2 . 51470 1 437 . 1 . 1 43 43 PRO HD3 H 1 3.580 0.020 . 2 . . . . . 42 PRO HD3 . 51470 1 438 . 1 . 1 43 43 PRO C C 13 176.613 0.3 . 1 . . . . . 42 PRO C . 51470 1 439 . 1 . 1 43 43 PRO CA C 13 64.076 0.3 . 1 . . . . . 42 PRO CA . 51470 1 440 . 1 . 1 43 43 PRO CB C 13 31.338 0.3 . 1 . . . . . 42 PRO CB . 51470 1 441 . 1 . 1 43 43 PRO CG C 13 27.530 0.3 . 1 . . . . . 42 PRO CG . 51470 1 442 . 1 . 1 43 43 PRO CD C 13 50.145 0.3 . 1 . . . . . 42 PRO CD . 51470 1 443 . 1 . 1 44 44 GLY H H 1 7.404 0.020 . 1 . . . . . 43 GLY H . 51470 1 444 . 1 . 1 44 44 GLY HA2 H 1 3.860 0.020 . 2 . . . . . 43 GLY HA2 . 51470 1 445 . 1 . 1 44 44 GLY HA3 H 1 4.320 0.020 . 2 . . . . . 43 GLY HA3 . 51470 1 446 . 1 . 1 44 44 GLY C C 13 173.759 0.3 . 1 . . . . . 43 GLY C . 51470 1 447 . 1 . 1 44 44 GLY CA C 13 44.768 0.3 . 1 . . . . . 43 GLY CA . 51470 1 448 . 1 . 1 44 44 GLY N N 15 112.998 0.3 . 1 . . . . . 43 GLY N . 51470 1 449 . 1 . 1 45 45 GLY H H 1 8.349 0.020 . 1 . . . . . 44 GLY H . 51470 1 450 . 1 . 1 45 45 GLY HA2 H 1 3.855 0.020 . 2 . . . . . 44 GLY HA2 . 51470 1 451 . 1 . 1 45 45 GLY HA3 H 1 4.333 0.020 . 2 . . . . . 44 GLY HA3 . 51470 1 452 . 1 . 1 45 45 GLY C C 13 174.875 0.3 . 1 . . . . . 44 GLY C . 51470 1 453 . 1 . 1 45 45 GLY CA C 13 44.768 0.3 . 1 . . . . . 44 GLY CA . 51470 1 454 . 1 . 1 45 45 GLY N N 15 108.486 0.3 . 1 . . . . . 44 GLY N . 51470 1 455 . 1 . 1 46 46 GLY H H 1 8.663 0.020 . 1 . . . . . 45 GLY H . 51470 1 456 . 1 . 1 46 46 GLY HA2 H 1 4.139 0.020 . 2 . . . . . 45 GLY HA2 . 51470 1 457 . 1 . 1 46 46 GLY HA3 H 1 3.938 0.020 . 2 . . . . . 45 GLY HA3 . 51470 1 458 . 1 . 1 46 46 GLY CA C 13 46.354 0.3 . 1 . . . . . 45 GLY CA . 51470 1 459 . 1 . 1 46 46 GLY N N 15 107.284 0.3 . 1 . . . . . 45 GLY N . 51470 1 460 . 1 . 1 49 49 HIS HA H 1 4.453 0.020 . 1 . . . . . 48 HIS HA . 51470 1 461 . 1 . 1 49 49 HIS HB2 H 1 3.741 0.020 . 2 . . . . . 48 HIS HB2 . 51470 1 462 . 1 . 1 49 49 HIS HB3 H 1 3.528 0.020 . 2 . . . . . 48 HIS HB3 . 51470 1 463 . 1 . 1 49 49 HIS C C 13 176.715 0.3 . 1 . . . . . 48 HIS C . 51470 1 464 . 1 . 1 49 49 HIS CA C 13 58.567 0.3 . 1 . . . . . 48 HIS CA . 51470 1 465 . 1 . 1 49 49 HIS CB C 13 27.917 0.3 . 1 . . . . . 48 HIS CB . 51470 1 466 . 1 . 1 50 50 ALA H H 1 7.883 0.020 . 1 . . . . . 49 ALA H . 51470 1 467 . 1 . 1 50 50 ALA HA H 1 4.242 0.020 . 1 . . . . . 49 ALA HA . 51470 1 468 . 1 . 1 50 50 ALA HB1 H 1 1.756 0.020 . 1 . . . . . 49 ALA HB . 51470 1 469 . 1 . 1 50 50 ALA HB2 H 1 1.756 0.020 . 1 . . . . . 49 ALA HB . 51470 1 470 . 1 . 1 50 50 ALA HB3 H 1 1.756 0.020 . 1 . . . . . 49 ALA HB . 51470 1 471 . 1 . 1 50 50 ALA C C 13 177.992 0.3 . 1 . . . . . 49 ALA C . 51470 1 472 . 1 . 1 50 50 ALA CA C 13 55.662 0.3 . 1 . . . . . 49 ALA CA . 51470 1 473 . 1 . 1 50 50 ALA CB C 13 18.347 0.3 . 1 . . . . . 49 ALA CB . 51470 1 474 . 1 . 1 50 50 ALA N N 15 122.741 0.3 . 1 . . . . . 49 ALA N . 51470 1 475 . 1 . 1 51 51 PHE HA H 1 4.164 0.020 . 1 . . . . . 50 PHE HA . 51470 1 476 . 1 . 1 51 51 PHE HB2 H 1 3.808 0.020 . 2 . . . . . 50 PHE HB2 . 51470 1 477 . 1 . 1 51 51 PHE HB3 H 1 3.242 0.020 . 2 . . . . . 50 PHE HB3 . 51470 1 478 . 1 . 1 51 51 PHE C C 13 178.067 0.3 . 1 . . . . . 50 PHE C . 51470 1 479 . 1 . 1 51 51 PHE CA C 13 63.472 0.3 . 1 . . . . . 50 PHE CA . 51470 1 480 . 1 . 1 51 51 PHE CB C 13 40.109 0.3 . 1 . . . . . 50 PHE CB . 51470 1 481 . 1 . 1 52 52 TYR H H 1 8.541 0.020 . 1 . . . . . 51 TYR H . 51470 1 482 . 1 . 1 52 52 TYR HA H 1 4.090 0.020 . 1 . . . . . 51 TYR HA . 51470 1 483 . 1 . 1 52 52 TYR HB2 H 1 2.510 0.020 . 2 . . . . . 51 TYR HB2 . 51470 1 484 . 1 . 1 52 52 TYR HB3 H 1 2.877 0.020 . 2 . . . . . 51 TYR HB3 . 51470 1 485 . 1 . 1 52 52 TYR C C 13 176.102 0.3 . 1 . . . . . 51 TYR C . 51470 1 486 . 1 . 1 52 52 TYR CA C 13 61.656 0.3 . 1 . . . . . 51 TYR CA . 51470 1 487 . 1 . 1 52 52 TYR CB C 13 38.339 0.3 . 1 . . . . . 51 TYR CB . 51470 1 488 . 1 . 1 52 52 TYR N N 15 121.225 0.3 . 1 . . . . . 51 TYR N . 51470 1 489 . 1 . 1 53 53 GLN H H 1 8.059 0.020 . 1 . . . . . 52 GLN H . 51470 1 490 . 1 . 1 53 53 GLN HA H 1 3.619 0.020 . 1 . . . . . 52 GLN HA . 51470 1 491 . 1 . 1 53 53 GLN HB2 H 1 1.886 0.020 . 2 . . . . . 52 GLN HB2 . 51470 1 492 . 1 . 1 53 53 GLN HB3 H 1 1.797 0.020 . 2 . . . . . 52 GLN HB3 . 51470 1 493 . 1 . 1 53 53 GLN HG2 H 1 2.099 0.020 . 2 . . . . . 52 GLN HG2 . 51470 1 494 . 1 . 1 53 53 GLN HG3 H 1 2.009 0.020 . 2 . . . . . 52 GLN HG3 . 51470 1 495 . 1 . 1 53 53 GLN C C 13 178.004 0.3 . 1 . . . . . 52 GLN C . 51470 1 496 . 1 . 1 53 53 GLN CA C 13 58.281 0.3 . 1 . . . . . 52 GLN CA . 51470 1 497 . 1 . 1 53 53 GLN CB C 13 29.295 0.3 . 1 . . . . . 52 GLN CB . 51470 1 498 . 1 . 1 53 53 GLN CG C 13 34.097 0.3 . 1 . . . . . 52 GLN CG . 51470 1 499 . 1 . 1 53 53 GLN N N 15 115.595 0.3 . 1 . . . . . 52 GLN N . 51470 1 500 . 1 . 1 54 54 ARG H H 1 7.252 0.020 . 1 . . . . . 53 ARG H . 51470 1 501 . 1 . 1 54 54 ARG HA H 1 3.644 0.020 . 1 . . . . . 53 ARG HA . 51470 1 502 . 1 . 1 54 54 ARG HB2 H 1 0.278 0.020 . 2 . . . . . 53 ARG HB2 . 51470 1 503 . 1 . 1 54 54 ARG HB3 H 1 0.631 0.020 . 2 . . . . . 53 ARG HB3 . 51470 1 504 . 1 . 1 54 54 ARG HG2 H 1 0.978 0.020 . 2 . . . . . 53 ARG HG2 . 51470 1 505 . 1 . 1 54 54 ARG HG3 H 1 0.748 0.020 . 2 . . . . . 53 ARG HG3 . 51470 1 506 . 1 . 1 54 54 ARG HD2 H 1 1.616 0.020 . 2 . . . . . 53 ARG HD2 . 51470 1 507 . 1 . 1 54 54 ARG HD3 H 1 1.817 0.020 . 2 . . . . . 53 ARG HD3 . 51470 1 508 . 1 . 1 54 54 ARG C C 13 176.737 0.3 . 1 . . . . . 53 ARG C . 51470 1 509 . 1 . 1 54 54 ARG CA C 13 57.901 0.3 . 1 . . . . . 53 ARG CA . 51470 1 510 . 1 . 1 54 54 ARG CB C 13 31.395 0.3 . 1 . . . . . 53 ARG CB . 51470 1 511 . 1 . 1 54 54 ARG CG C 13 27.294 0.3 . 1 . . . . . 53 ARG CG . 51470 1 512 . 1 . 1 54 54 ARG CD C 13 42.046 0.3 . 1 . . . . . 53 ARG CD . 51470 1 513 . 1 . 1 54 54 ARG N N 15 115.473 0.3 . 1 . . . . . 53 ARG N . 51470 1 514 . 1 . 1 55 55 TYR HA H 1 3.624 0.020 . 1 . . . . . 54 TYR HA . 51470 1 515 . 1 . 1 55 55 TYR HB2 H 1 2.046 0.020 . 1 . . . . . 54 TYR HB2 . 51470 1 516 . 1 . 1 55 55 TYR HB3 H 1 2.046 0.020 . 1 . . . . . 54 TYR HB3 . 51470 1 517 . 1 . 1 55 55 TYR C C 13 176.724 0.3 . 1 . . . . . 54 TYR C . 51470 1 518 . 1 . 1 55 55 TYR CA C 13 58.278 0.3 . 1 . . . . . 54 TYR CA . 51470 1 519 . 1 . 1 55 55 TYR CB C 13 34.069 0.3 . 1 . . . . . 54 TYR CB . 51470 1 520 . 1 . 1 56 56 PRO HA H 1 4.399 0.020 . 1 . . . . . 55 PRO HA . 51470 1 521 . 1 . 1 56 56 PRO HB2 H 1 1.856 0.020 . 2 . . . . . 55 PRO HB2 . 51470 1 522 . 1 . 1 56 56 PRO HB3 H 1 1.838 0.020 . 2 . . . . . 55 PRO HB3 . 51470 1 523 . 1 . 1 56 56 PRO HG2 H 1 1.912 0.020 . 1 . . . . . 55 PRO HG2 . 51470 1 524 . 1 . 1 56 56 PRO HG3 H 1 1.912 0.020 . 1 . . . . . 55 PRO HG3 . 51470 1 525 . 1 . 1 56 56 PRO HD2 H 1 3.244 0.020 . 2 . . . . . 55 PRO HD2 . 51470 1 526 . 1 . 1 56 56 PRO HD3 H 1 3.499 0.020 . 2 . . . . . 55 PRO HD3 . 51470 1 527 . 1 . 1 56 56 PRO C C 13 179.968 0.3 . 1 . . . . . 55 PRO C . 51470 1 528 . 1 . 1 56 56 PRO CA C 13 66.718 0.3 . 1 . . . . . 55 PRO CA . 51470 1 529 . 1 . 1 56 56 PRO CB C 13 30.068 0.3 . 1 . . . . . 55 PRO CB . 51470 1 530 . 1 . 1 56 56 PRO CG C 13 27.264 0.3 . 1 . . . . . 55 PRO CG . 51470 1 531 . 1 . 1 56 56 PRO CD C 13 50.254 0.3 . 1 . . . . . 55 PRO CD . 51470 1 532 . 1 . 1 57 57 ALA H H 1 8.788 0.020 . 1 . . . . . 56 ALA H . 51470 1 533 . 1 . 1 57 57 ALA HA H 1 4.405 0.020 . 1 . . . . . 56 ALA HA . 51470 1 534 . 1 . 1 57 57 ALA HB1 H 1 1.446 0.020 . 1 . . . . . 56 ALA HB . 51470 1 535 . 1 . 1 57 57 ALA HB2 H 1 1.446 0.020 . 1 . . . . . 56 ALA HB . 51470 1 536 . 1 . 1 57 57 ALA HB3 H 1 1.446 0.020 . 1 . . . . . 56 ALA HB . 51470 1 537 . 1 . 1 57 57 ALA C C 13 178.905 0.3 . 1 . . . . . 56 ALA C . 51470 1 538 . 1 . 1 57 57 ALA CA C 13 54.241 0.3 . 1 . . . . . 56 ALA CA . 51470 1 539 . 1 . 1 57 57 ALA CB C 13 18.558 0.3 . 1 . . . . . 56 ALA CB . 51470 1 540 . 1 . 1 57 57 ALA N N 15 120.163 0.3 . 1 . . . . . 56 ALA N . 51470 1 541 . 1 . 1 58 58 SER H H 1 8.529 0.020 . 1 . . . . . 57 SER H . 51470 1 542 . 1 . 1 58 58 SER HA H 1 5.076 0.020 . 1 . . . . . 57 SER HA . 51470 1 543 . 1 . 1 58 58 SER HB2 H 1 4.050 0.020 . 1 . . . . . 57 SER HB2 . 51470 1 544 . 1 . 1 58 58 SER HB3 H 1 4.050 0.020 . 1 . . . . . 57 SER HB3 . 51470 1 545 . 1 . 1 58 58 SER C C 13 175.813 0.3 . 1 . . . . . 57 SER C . 51470 1 546 . 1 . 1 58 58 SER CA C 13 61.243 0.3 . 1 . . . . . 57 SER CA . 51470 1 547 . 1 . 1 58 58 SER CB C 13 66.154 0.3 . 1 . . . . . 57 SER CB . 51470 1 548 . 1 . 1 58 58 SER N N 15 115.597 0.3 . 1 . . . . . 57 SER N . 51470 1 549 . 1 . 1 59 59 PHE H H 1 7.834 0.020 . 1 . . . . . 58 PHE H . 51470 1 550 . 1 . 1 59 59 PHE HA H 1 4.455 0.020 . 1 . . . . . 58 PHE HA . 51470 1 551 . 1 . 1 59 59 PHE HB2 H 1 3.511 0.020 . 2 . . . . . 58 PHE HB2 . 51470 1 552 . 1 . 1 59 59 PHE HB3 H 1 3.169 0.020 . 2 . . . . . 58 PHE HB3 . 51470 1 553 . 1 . 1 59 59 PHE C C 13 174.649 0.3 . 1 . . . . . 58 PHE C . 51470 1 554 . 1 . 1 59 59 PHE CA C 13 58.805 0.3 . 1 . . . . . 58 PHE CA . 51470 1 555 . 1 . 1 59 59 PHE CB C 13 38.540 0.3 . 1 . . . . . 58 PHE CB . 51470 1 556 . 1 . 1 59 59 PHE N N 15 119.968 0.3 . 1 . . . . . 58 PHE N . 51470 1 557 . 1 . 1 60 60 ASP H H 1 7.350 0.020 . 1 . . . . . 59 ASP H . 51470 1 558 . 1 . 1 60 60 ASP HA H 1 4.606 0.020 . 1 . . . . . 59 ASP HA . 51470 1 559 . 1 . 1 60 60 ASP HB2 H 1 2.974 0.020 . 2 . . . . . 59 ASP HB2 . 51470 1 560 . 1 . 1 60 60 ASP HB3 H 1 2.755 0.020 . 2 . . . . . 59 ASP HB3 . 51470 1 561 . 1 . 1 60 60 ASP C C 13 176.226 0.3 . 1 . . . . . 59 ASP C . 51470 1 562 . 1 . 1 60 60 ASP CA C 13 53.470 0.3 . 1 . . . . . 59 ASP CA . 51470 1 563 . 1 . 1 60 60 ASP CB C 13 40.344 0.3 . 1 . . . . . 59 ASP CB . 51470 1 564 . 1 . 1 60 60 ASP N N 15 119.752 0.3 . 1 . . . . . 59 ASP N . 51470 1 565 . 1 . 1 61 61 ALA H H 1 8.676 0.020 . 1 . . . . . 60 ALA H . 51470 1 566 . 1 . 1 61 61 ALA HA H 1 1.583 0.020 . 1 . . . . . 60 ALA HA . 51470 1 567 . 1 . 1 61 61 ALA HB1 H 1 1.081 0.020 . 1 . . . . . 60 ALA HB . 51470 1 568 . 1 . 1 61 61 ALA HB2 H 1 1.081 0.020 . 1 . . . . . 60 ALA HB . 51470 1 569 . 1 . 1 61 61 ALA HB3 H 1 1.081 0.020 . 1 . . . . . 60 ALA HB . 51470 1 570 . 1 . 1 61 61 ALA C C 13 179.619 0.3 . 1 . . . . . 60 ALA C . 51470 1 571 . 1 . 1 61 61 ALA CA C 13 52.890 0.3 . 1 . . . . . 60 ALA CA . 51470 1 572 . 1 . 1 61 61 ALA CB C 13 18.353 0.3 . 1 . . . . . 60 ALA CB . 51470 1 573 . 1 . 1 61 61 ALA N N 15 133.163 0.3 . 1 . . . . . 60 ALA N . 51470 1 574 . 1 . 1 62 62 ALA H H 1 8.200 0.020 . 1 . . . . . 61 ALA H . 51470 1 575 . 1 . 1 62 62 ALA HA H 1 4.104 0.020 . 1 . . . . . 61 ALA HA . 51470 1 576 . 1 . 1 62 62 ALA HB1 H 1 1.421 0.020 . 1 . . . . . 61 ALA HB . 51470 1 577 . 1 . 1 62 62 ALA HB2 H 1 1.421 0.020 . 1 . . . . . 61 ALA HB . 51470 1 578 . 1 . 1 62 62 ALA HB3 H 1 1.421 0.020 . 1 . . . . . 61 ALA HB . 51470 1 579 . 1 . 1 62 62 ALA C C 13 178.990 0.3 . 1 . . . . . 61 ALA C . 51470 1 580 . 1 . 1 62 62 ALA CA C 13 54.199 0.3 . 1 . . . . . 61 ALA CA . 51470 1 581 . 1 . 1 62 62 ALA CB C 13 18.204 0.3 . 1 . . . . . 61 ALA CB . 51470 1 582 . 1 . 1 62 62 ALA N N 15 120.186 0.3 . 1 . . . . . 61 ALA N . 51470 1 583 . 1 . 1 63 63 SER H H 1 7.603 0.020 . 1 . . . . . 62 SER H . 51470 1 584 . 1 . 1 63 63 SER HA H 1 4.610 0.020 . 1 . . . . . 62 SER HA . 51470 1 585 . 1 . 1 63 63 SER HB2 H 1 4.140 0.020 . 2 . . . . . 62 SER HB2 . 51470 1 586 . 1 . 1 63 63 SER HB3 H 1 4.090 0.020 . 2 . . . . . 62 SER HB3 . 51470 1 587 . 1 . 1 63 63 SER C C 13 174.058 0.3 . 1 . . . . . 62 SER C . 51470 1 588 . 1 . 1 63 63 SER CA C 13 58.275 0.3 . 1 . . . . . 62 SER CA . 51470 1 589 . 1 . 1 63 63 SER CB C 13 63.796 0.3 . 1 . . . . . 62 SER CB . 51470 1 590 . 1 . 1 63 63 SER N N 15 111.373 0.3 . 1 . . . . . 62 SER N . 51470 1 591 . 1 . 1 64 64 PHE H H 1 7.332 0.020 . 1 . . . . . 63 PHE H . 51470 1 592 . 1 . 1 64 64 PHE HA H 1 5.140 0.020 . 1 . . . . . 63 PHE HA . 51470 1 593 . 1 . 1 64 64 PHE HB2 H 1 3.354 0.020 . 2 . . . . . 63 PHE HB2 . 51470 1 594 . 1 . 1 64 64 PHE HB3 H 1 3.196 0.020 . 2 . . . . . 63 PHE HB3 . 51470 1 595 . 1 . 1 64 64 PHE C C 13 177.569 0.3 . 1 . . . . . 63 PHE C . 51470 1 596 . 1 . 1 64 64 PHE CA C 13 55.415 0.3 . 1 . . . . . 63 PHE CA . 51470 1 597 . 1 . 1 64 64 PHE CB C 13 36.051 0.3 . 1 . . . . . 63 PHE CB . 51470 1 598 . 1 . 1 64 64 PHE N N 15 120.598 0.3 . 1 . . . . . 63 PHE N . 51470 1 599 . 1 . 1 65 65 VAL HA H 1 4.550 0.020 . 1 . . . . . 64 VAL HA . 51470 1 600 . 1 . 1 65 65 VAL HB H 1 2.374 0.020 . 1 . . . . . 64 VAL HB . 51470 1 601 . 1 . 1 65 65 VAL HG11 H 1 0.964 0.020 . 1 . . . . . 64 VAL HG1 . 51470 1 602 . 1 . 1 65 65 VAL HG12 H 1 0.964 0.020 . 1 . . . . . 64 VAL HG1 . 51470 1 603 . 1 . 1 65 65 VAL HG13 H 1 0.964 0.020 . 1 . . . . . 64 VAL HG1 . 51470 1 604 . 1 . 1 65 65 VAL HG21 H 1 1.144 0.020 . 1 . . . . . 64 VAL HG2 . 51470 1 605 . 1 . 1 65 65 VAL HG22 H 1 1.144 0.020 . 1 . . . . . 64 VAL HG2 . 51470 1 606 . 1 . 1 65 65 VAL HG23 H 1 1.144 0.020 . 1 . . . . . 64 VAL HG2 . 51470 1 607 . 1 . 1 65 65 VAL C C 13 175.853 0.3 . 1 . . . . . 64 VAL C . 51470 1 608 . 1 . 1 65 65 VAL CA C 13 61.616 0.3 . 1 . . . . . 64 VAL CA . 51470 1 609 . 1 . 1 65 65 VAL CB C 13 33.058 0.3 . 1 . . . . . 64 VAL CB . 51470 1 610 . 1 . 1 65 65 VAL CG1 C 13 18.887 0.3 . 1 . . . . . 64 VAL CG1 . 51470 1 611 . 1 . 1 65 65 VAL CG2 C 13 22.178 0.3 . 1 . . . . . 64 VAL CG2 . 51470 1 612 . 1 . 1 66 66 MET HA H 1 4.573 0.020 . 1 . . . . . 65 MET HA . 51470 1 613 . 1 . 1 66 66 MET HB2 H 1 1.921 0.020 . 2 . . . . . 65 MET HB2 . 51470 1 614 . 1 . 1 66 66 MET HB3 H 1 1.726 0.020 . 2 . . . . . 65 MET HB3 . 51470 1 615 . 1 . 1 66 66 MET HG2 H 1 2.137 0.020 . 2 . . . . . 65 MET HG2 . 51470 1 616 . 1 . 1 66 66 MET HG3 H 1 2.244 0.020 . 2 . . . . . 65 MET HG3 . 51470 1 617 . 1 . 1 66 66 MET C C 13 173.387 0.3 . 1 . . . . . 65 MET C . 51470 1 618 . 1 . 1 66 66 MET CA C 13 55.820 0.3 . 1 . . . . . 65 MET CA . 51470 1 619 . 1 . 1 66 66 MET CB C 13 36.083 0.3 . 1 . . . . . 65 MET CB . 51470 1 620 . 1 . 1 66 66 MET CG C 13 31.745 0.3 . 1 . . . . . 65 MET CG . 51470 1 621 . 1 . 1 67 67 ARG H H 1 8.529 0.020 . 1 . . . . . 66 ARG H . 51470 1 622 . 1 . 1 67 67 ARG HA H 1 5.153 0.020 . 1 . . . . . 66 ARG HA . 51470 1 623 . 1 . 1 67 67 ARG HB2 H 1 1.808 0.020 . 2 . . . . . 66 ARG HB2 . 51470 1 624 . 1 . 1 67 67 ARG HB3 H 1 1.918 0.020 . 2 . . . . . 66 ARG HB3 . 51470 1 625 . 1 . 1 67 67 ARG HG2 H 1 1.710 0.020 . 2 . . . . . 66 ARG HG2 . 51470 1 626 . 1 . 1 67 67 ARG HG3 H 1 1.604 0.020 . 2 . . . . . 66 ARG HG3 . 51470 1 627 . 1 . 1 67 67 ARG HD2 H 1 3.237 0.020 . 2 . . . . . 66 ARG HD2 . 51470 1 628 . 1 . 1 67 67 ARG HD3 H 1 3.349 0.020 . 2 . . . . . 66 ARG HD3 . 51470 1 629 . 1 . 1 67 67 ARG C C 13 175.263 0.3 . 1 . . . . . 66 ARG C . 51470 1 630 . 1 . 1 67 67 ARG CA C 13 54.056 0.3 . 1 . . . . . 66 ARG CA . 51470 1 631 . 1 . 1 67 67 ARG CB C 13 33.517 0.3 . 1 . . . . . 66 ARG CB . 51470 1 632 . 1 . 1 67 67 ARG CG C 13 27.180 0.3 . 1 . . . . . 66 ARG CG . 51470 1 633 . 1 . 1 67 67 ARG CD C 13 42.928 0.3 . 1 . . . . . 66 ARG CD . 51470 1 634 . 1 . 1 67 67 ARG N N 15 121.616 0.3 . 1 . . . . . 66 ARG N . 51470 1 635 . 1 . 1 68 68 ASP H H 1 7.936 0.020 . 1 . . . . . 67 ASP H . 51470 1 636 . 1 . 1 68 68 ASP HA H 1 4.664 0.020 . 1 . . . . . 67 ASP HA . 51470 1 637 . 1 . 1 68 68 ASP HB2 H 1 3.574 0.020 . 2 . . . . . 67 ASP HB2 . 51470 1 638 . 1 . 1 68 68 ASP HB3 H 1 2.254 0.020 . 2 . . . . . 67 ASP HB3 . 51470 1 639 . 1 . 1 68 68 ASP C C 13 174.943 0.3 . 1 . . . . . 67 ASP C . 51470 1 640 . 1 . 1 68 68 ASP CA C 13 53.686 0.3 . 1 . . . . . 67 ASP CA . 51470 1 641 . 1 . 1 68 68 ASP CB C 13 41.783 0.3 . 1 . . . . . 67 ASP CB . 51470 1 642 . 1 . 1 68 68 ASP N N 15 121.891 0.3 . 1 . . . . . 67 ASP N . 51470 1 643 . 1 . 1 69 69 GLY H H 1 8.552 0.020 . 1 . . . . . 68 GLY H . 51470 1 644 . 1 . 1 69 69 GLY HA2 H 1 3.537 0.020 . 2 . . . . . 68 GLY HA2 . 51470 1 645 . 1 . 1 69 69 GLY HA3 H 1 4.183 0.020 . 2 . . . . . 68 GLY HA3 . 51470 1 646 . 1 . 1 69 69 GLY C C 13 175.423 0.3 . 1 . . . . . 68 GLY C . 51470 1 647 . 1 . 1 69 69 GLY CA C 13 46.636 0.3 . 1 . . . . . 68 GLY CA . 51470 1 648 . 1 . 1 69 69 GLY N N 15 112.781 0.3 . 1 . . . . . 68 GLY N . 51470 1 649 . 1 . 1 70 70 ALA H H 1 8.325 0.020 . 1 . . . . . 69 ALA H . 51470 1 650 . 1 . 1 70 70 ALA HA H 1 4.256 0.020 . 1 . . . . . 69 ALA HA . 51470 1 651 . 1 . 1 70 70 ALA HB1 H 1 1.370 0.020 . 1 . . . . . 69 ALA HB . 51470 1 652 . 1 . 1 70 70 ALA HB2 H 1 1.370 0.020 . 1 . . . . . 69 ALA HB . 51470 1 653 . 1 . 1 70 70 ALA HB3 H 1 1.370 0.020 . 1 . . . . . 69 ALA HB . 51470 1 654 . 1 . 1 70 70 ALA C C 13 177.242 0.3 . 1 . . . . . 69 ALA C . 51470 1 655 . 1 . 1 70 70 ALA CA C 13 52.494 0.3 . 1 . . . . . 69 ALA CA . 51470 1 656 . 1 . 1 70 70 ALA CB C 13 19.407 0.3 . 1 . . . . . 69 ALA CB . 51470 1 657 . 1 . 1 70 70 ALA N N 15 130.015 0.3 . 1 . . . . . 69 ALA N . 51470 1 658 . 1 . 1 71 71 ALA H H 1 8.136 0.020 . 1 . . . . . 70 ALA H . 51470 1 659 . 1 . 1 71 71 ALA HA H 1 4.802 0.020 . 1 . . . . . 70 ALA HA . 51470 1 660 . 1 . 1 71 71 ALA HB1 H 1 1.367 0.020 . 1 . . . . . 70 ALA HB . 51470 1 661 . 1 . 1 71 71 ALA HB2 H 1 1.367 0.020 . 1 . . . . . 70 ALA HB . 51470 1 662 . 1 . 1 71 71 ALA HB3 H 1 1.367 0.020 . 1 . . . . . 70 ALA HB . 51470 1 663 . 1 . 1 71 71 ALA C C 13 177.676 0.3 . 1 . . . . . 70 ALA C . 51470 1 664 . 1 . 1 71 71 ALA CA C 13 52.418 0.3 . 1 . . . . . 70 ALA CA . 51470 1 665 . 1 . 1 71 71 ALA CB C 13 19.719 0.3 . 1 . . . . . 70 ALA CB . 51470 1 666 . 1 . 1 71 71 ALA N N 15 121.962 0.3 . 1 . . . . . 70 ALA N . 51470 1 667 . 1 . 1 72 72 ALA H H 1 7.708 0.020 . 1 . . . . . 71 ALA H . 51470 1 668 . 1 . 1 72 72 ALA HA H 1 4.801 0.020 . 1 . . . . . 71 ALA HA . 51470 1 669 . 1 . 1 72 72 ALA HB1 H 1 0.111 0.020 . 1 . . . . . 71 ALA HB . 51470 1 670 . 1 . 1 72 72 ALA HB2 H 1 0.111 0.020 . 1 . . . . . 71 ALA HB . 51470 1 671 . 1 . 1 72 72 ALA HB3 H 1 0.111 0.020 . 1 . . . . . 71 ALA HB . 51470 1 672 . 1 . 1 72 72 ALA C C 13 173.833 0.3 . 1 . . . . . 71 ALA C . 51470 1 673 . 1 . 1 72 72 ALA CA C 13 50.227 0.3 . 1 . . . . . 71 ALA CA . 51470 1 674 . 1 . 1 72 72 ALA CB C 13 21.172 0.3 . 1 . . . . . 71 ALA CB . 51470 1 675 . 1 . 1 72 72 ALA N N 15 122.434 0.3 . 1 . . . . . 71 ALA N . 51470 1 676 . 1 . 1 73 73 TYR H H 1 8.596 0.020 . 1 . . . . . 72 TYR H . 51470 1 677 . 1 . 1 73 73 TYR HA H 1 4.932 0.020 . 1 . . . . . 72 TYR HA . 51470 1 678 . 1 . 1 73 73 TYR HB2 H 1 2.636 0.020 . 2 . . . . . 72 TYR HB2 . 51470 1 679 . 1 . 1 73 73 TYR HB3 H 1 2.991 0.020 . 2 . . . . . 72 TYR HB3 . 51470 1 680 . 1 . 1 73 73 TYR C C 13 175.081 0.3 . 1 . . . . . 72 TYR C . 51470 1 681 . 1 . 1 73 73 TYR CA C 13 56.214 0.3 . 1 . . . . . 72 TYR CA . 51470 1 682 . 1 . 1 73 73 TYR CB C 13 39.996 0.3 . 1 . . . . . 72 TYR CB . 51470 1 683 . 1 . 1 73 73 TYR N N 15 120.875 0.3 . 1 . . . . . 72 TYR N . 51470 1 684 . 1 . 1 74 74 THR H H 1 9.506 0.020 . 1 . . . . . 73 THR H . 51470 1 685 . 1 . 1 74 74 THR HA H 1 5.093 0.020 . 1 . . . . . 73 THR HA . 51470 1 686 . 1 . 1 74 74 THR HB H 1 4.365 0.020 . 1 . . . . . 73 THR HB . 51470 1 687 . 1 . 1 74 74 THR HG21 H 1 1.459 0.020 . 1 . . . . . 73 THR HG2 . 51470 1 688 . 1 . 1 74 74 THR HG22 H 1 1.459 0.020 . 1 . . . . . 73 THR HG2 . 51470 1 689 . 1 . 1 74 74 THR HG23 H 1 1.459 0.020 . 1 . . . . . 73 THR HG2 . 51470 1 690 . 1 . 1 74 74 THR C C 13 169.779 0.3 . 1 . . . . . 73 THR C . 51470 1 691 . 1 . 1 74 74 THR CA C 13 59.896 0.3 . 1 . . . . . 73 THR CA . 51470 1 692 . 1 . 1 74 74 THR CB C 13 70.344 0.3 . 1 . . . . . 73 THR CB . 51470 1 693 . 1 . 1 74 74 THR CG2 C 13 20.468 0.3 . 1 . . . . . 73 THR CG2 . 51470 1 694 . 1 . 1 74 74 THR N N 15 117.765 0.3 . 1 . . . . . 73 THR N . 51470 1 695 . 1 . 1 75 75 LEU H H 1 8.504 0.020 . 1 . . . . . 74 LEU H . 51470 1 696 . 1 . 1 75 75 LEU HA H 1 4.265 0.020 . 1 . . . . . 74 LEU HA . 51470 1 697 . 1 . 1 75 75 LEU HB2 H 1 1.541 0.020 . 1 . . . . . 74 LEU HB2 . 51470 1 698 . 1 . 1 75 75 LEU HB3 H 1 1.541 0.020 . 1 . . . . . 74 LEU HB3 . 51470 1 699 . 1 . 1 75 75 LEU HG H 1 1.591 0.020 . 1 . . . . . 74 LEU HG . 51470 1 700 . 1 . 1 75 75 LEU HD11 H 1 0.960 0.020 . 1 . . . . . 74 LEU HD1 . 51470 1 701 . 1 . 1 75 75 LEU HD12 H 1 0.960 0.020 . 1 . . . . . 74 LEU HD1 . 51470 1 702 . 1 . 1 75 75 LEU HD13 H 1 0.960 0.020 . 1 . . . . . 74 LEU HD1 . 51470 1 703 . 1 . 1 75 75 LEU HD21 H 1 0.695 0.020 . 1 . . . . . 74 LEU HD2 . 51470 1 704 . 1 . 1 75 75 LEU HD22 H 1 0.695 0.020 . 1 . . . . . 74 LEU HD2 . 51470 1 705 . 1 . 1 75 75 LEU HD23 H 1 0.695 0.020 . 1 . . . . . 74 LEU HD2 . 51470 1 706 . 1 . 1 75 75 LEU C C 13 176.250 0.3 . 1 . . . . . 74 LEU C . 51470 1 707 . 1 . 1 75 75 LEU CA C 13 54.237 0.3 . 1 . . . . . 74 LEU CA . 51470 1 708 . 1 . 1 75 75 LEU CB C 13 42.344 0.3 . 1 . . . . . 74 LEU CB . 51470 1 709 . 1 . 1 75 75 LEU CG C 13 27.261 0.3 . 1 . . . . . 74 LEU CG . 51470 1 710 . 1 . 1 75 75 LEU CD1 C 13 25.084 0.3 . 1 . . . . . 74 LEU CD1 . 51470 1 711 . 1 . 1 75 75 LEU CD2 C 13 23.138 0.3 . 1 . . . . . 74 LEU CD2 . 51470 1 712 . 1 . 1 75 75 LEU N N 15 123.002 0.3 . 1 . . . . . 74 LEU N . 51470 1 713 . 1 . 1 77 77 PRO HA H 1 4.879 0.020 . 1 . . . . . 76 PRO HA . 51470 1 714 . 1 . 1 77 77 PRO HB2 H 1 2.331 0.020 . 1 . . . . . 76 PRO HB2 . 51470 1 715 . 1 . 1 77 77 PRO HB3 H 1 2.331 0.020 . 1 . . . . . 76 PRO HB3 . 51470 1 716 . 1 . 1 77 77 PRO HG2 H 1 2.521 0.020 . 2 . . . . . 76 PRO HG2 . 51470 1 717 . 1 . 1 77 77 PRO HG3 H 1 1.900 0.020 . 2 . . . . . 76 PRO HG3 . 51470 1 718 . 1 . 1 77 77 PRO HD2 H 1 3.382 0.020 . 2 . . . . . 76 PRO HD2 . 51470 1 719 . 1 . 1 77 77 PRO HD3 H 1 3.592 0.020 . 2 . . . . . 76 PRO HD3 . 51470 1 720 . 1 . 1 77 77 PRO C C 13 175.046 0.3 . 1 . . . . . 76 PRO C . 51470 1 721 . 1 . 1 77 77 PRO CA C 13 64.580 0.3 . 1 . . . . . 76 PRO CA . 51470 1 722 . 1 . 1 77 77 PRO CB C 13 33.324 0.3 . 1 . . . . . 76 PRO CB . 51470 1 723 . 1 . 1 77 77 PRO CG C 13 25.157 0.3 . 1 . . . . . 76 PRO CG . 51470 1 724 . 1 . 1 77 77 PRO CD C 13 50.071 0.3 . 1 . . . . . 76 PRO CD . 51470 1 725 . 1 . 1 78 78 ARG H H 1 7.459 0.020 . 1 . . . . . 77 ARG H . 51470 1 726 . 1 . 1 78 78 ARG HA H 1 4.495 0.020 . 1 . . . . . 77 ARG HA . 51470 1 727 . 1 . 1 78 78 ARG HB2 H 1 1.691 0.020 . 1 . . . . . 77 ARG HB2 . 51470 1 728 . 1 . 1 78 78 ARG HB3 H 1 1.691 0.020 . 1 . . . . . 77 ARG HB3 . 51470 1 729 . 1 . 1 78 78 ARG HG2 H 1 0.144 0.020 . 1 . . . . . 77 ARG HG2 . 51470 1 730 . 1 . 1 78 78 ARG HG3 H 1 0.144 0.020 . 1 . . . . . 77 ARG HG3 . 51470 1 731 . 1 . 1 78 78 ARG HD2 H 1 2.583 0.020 . 2 . . . . . 77 ARG HD2 . 51470 1 732 . 1 . 1 78 78 ARG HD3 H 1 2.607 0.020 . 2 . . . . . 77 ARG HD3 . 51470 1 733 . 1 . 1 78 78 ARG C C 13 171.593 0.3 . 1 . . . . . 77 ARG C . 51470 1 734 . 1 . 1 78 78 ARG CA C 13 53.574 0.3 . 1 . . . . . 77 ARG CA . 51470 1 735 . 1 . 1 78 78 ARG CB C 13 26.636 0.3 . 1 . . . . . 77 ARG CB . 51470 1 736 . 1 . 1 78 78 ARG CG C 13 22.397 0.3 . 1 . . . . . 77 ARG CG . 51470 1 737 . 1 . 1 78 78 ARG CD C 13 43.284 0.3 . 1 . . . . . 77 ARG CD . 51470 1 738 . 1 . 1 78 78 ARG N N 15 120.037 0.3 . 1 . . . . . 77 ARG N . 51470 1 739 . 1 . 1 79 79 PRO HA H 1 4.949 0.020 . 1 . . . . . 78 PRO HA . 51470 1 740 . 1 . 1 79 79 PRO HB2 H 1 1.919 0.020 . 1 . . . . . 78 PRO HB2 . 51470 1 741 . 1 . 1 79 79 PRO HB3 H 1 1.919 0.020 . 1 . . . . . 78 PRO HB3 . 51470 1 742 . 1 . 1 79 79 PRO HG2 H 1 2.008 0.020 . 1 . . . . . 78 PRO HG2 . 51470 1 743 . 1 . 1 79 79 PRO HG3 H 1 2.008 0.020 . 1 . . . . . 78 PRO HG3 . 51470 1 744 . 1 . 1 79 79 PRO HD2 H 1 3.992 0.020 . 2 . . . . . 78 PRO HD2 . 51470 1 745 . 1 . 1 79 79 PRO HD3 H 1 3.776 0.020 . 2 . . . . . 78 PRO HD3 . 51470 1 746 . 1 . 1 79 79 PRO C C 13 178.188 0.3 . 1 . . . . . 78 PRO C . 51470 1 747 . 1 . 1 79 79 PRO CA C 13 64.401 0.3 . 1 . . . . . 78 PRO CA . 51470 1 748 . 1 . 1 79 79 PRO CB C 13 31.565 0.3 . 1 . . . . . 78 PRO CB . 51470 1 749 . 1 . 1 79 79 PRO CG C 13 27.330 0.3 . 1 . . . . . 78 PRO CG . 51470 1 750 . 1 . 1 79 79 PRO CD C 13 50.969 0.3 . 1 . . . . . 78 PRO CD . 51470 1 751 . 1 . 1 80 80 ILE H H 1 9.311 0.020 . 1 . . . . . 79 ILE H . 51470 1 752 . 1 . 1 80 80 ILE HA H 1 5.064 0.020 . 1 . . . . . 79 ILE HA . 51470 1 753 . 1 . 1 80 80 ILE HB H 1 1.327 0.020 . 1 . . . . . 79 ILE HB . 51470 1 754 . 1 . 1 80 80 ILE HG12 H 1 1.406 0.020 . 2 . . . . . 79 ILE HG12 . 51470 1 755 . 1 . 1 80 80 ILE HG13 H 1 0.645 0.020 . 2 . . . . . 79 ILE HG13 . 51470 1 756 . 1 . 1 80 80 ILE HG21 H 1 0.054 0.020 . 1 . . . . . 79 ILE HG2 . 51470 1 757 . 1 . 1 80 80 ILE HG22 H 1 0.054 0.020 . 1 . . . . . 79 ILE HG2 . 51470 1 758 . 1 . 1 80 80 ILE HG23 H 1 0.054 0.020 . 1 . . . . . 79 ILE HG2 . 51470 1 759 . 1 . 1 80 80 ILE HD11 H 1 0.627 0.020 . 1 . . . . . 79 ILE HD1 . 51470 1 760 . 1 . 1 80 80 ILE HD12 H 1 0.627 0.020 . 1 . . . . . 79 ILE HD1 . 51470 1 761 . 1 . 1 80 80 ILE HD13 H 1 0.627 0.020 . 1 . . . . . 79 ILE HD1 . 51470 1 762 . 1 . 1 80 80 ILE C C 13 172.776 0.3 . 1 . . . . . 79 ILE C . 51470 1 763 . 1 . 1 80 80 ILE CA C 13 60.703 0.3 . 1 . . . . . 79 ILE CA . 51470 1 764 . 1 . 1 80 80 ILE CB C 13 44.008 0.3 . 1 . . . . . 79 ILE CB . 51470 1 765 . 1 . 1 80 80 ILE CG1 C 13 29.083 0.3 . 1 . . . . . 79 ILE CG1 . 51470 1 766 . 1 . 1 80 80 ILE CG2 C 13 15.485 0.3 . 1 . . . . . 79 ILE CG2 . 51470 1 767 . 1 . 1 80 80 ILE CD1 C 13 13.956 0.3 . 1 . . . . . 79 ILE CD1 . 51470 1 768 . 1 . 1 80 80 ILE N N 15 134.084 0.3 . 1 . . . . . 79 ILE N . 51470 1 769 . 1 . 1 81 81 ILE H H 1 8.590 0.020 . 1 . . . . . 80 ILE H . 51470 1 770 . 1 . 1 81 81 ILE HA H 1 4.079 0.020 . 1 . . . . . 80 ILE HA . 51470 1 771 . 1 . 1 81 81 ILE HB H 1 1.276 0.020 . 1 . . . . . 80 ILE HB . 51470 1 772 . 1 . 1 81 81 ILE HG12 H 1 -0.306 0.020 . 1 . . . . . 80 ILE HG12 . 51470 1 773 . 1 . 1 81 81 ILE HG13 H 1 -0.306 0.020 . 1 . . . . . 80 ILE HG13 . 51470 1 774 . 1 . 1 81 81 ILE HG21 H 1 -0.211 0.020 . 1 . . . . . 80 ILE HG2 . 51470 1 775 . 1 . 1 81 81 ILE HG22 H 1 -0.211 0.020 . 1 . . . . . 80 ILE HG2 . 51470 1 776 . 1 . 1 81 81 ILE HG23 H 1 -0.211 0.020 . 1 . . . . . 80 ILE HG2 . 51470 1 777 . 1 . 1 81 81 ILE HD11 H 1 -0.029 0.020 . 1 . . . . . 80 ILE HD1 . 51470 1 778 . 1 . 1 81 81 ILE HD12 H 1 -0.029 0.020 . 1 . . . . . 80 ILE HD1 . 51470 1 779 . 1 . 1 81 81 ILE HD13 H 1 -0.029 0.020 . 1 . . . . . 80 ILE HD1 . 51470 1 780 . 1 . 1 81 81 ILE C C 13 174.189 0.3 . 1 . . . . . 80 ILE C . 51470 1 781 . 1 . 1 81 81 ILE CA C 13 59.275 0.3 . 1 . . . . . 80 ILE CA . 51470 1 782 . 1 . 1 81 81 ILE CB C 13 40.562 0.3 . 1 . . . . . 80 ILE CB . 51470 1 783 . 1 . 1 81 81 ILE CG1 C 13 27.588 0.3 . 1 . . . . . 80 ILE CG1 . 51470 1 784 . 1 . 1 81 81 ILE CG2 C 13 16.007 0.3 . 1 . . . . . 80 ILE CG2 . 51470 1 785 . 1 . 1 81 81 ILE CD1 C 13 13.592 0.3 . 1 . . . . . 80 ILE CD1 . 51470 1 786 . 1 . 1 81 81 ILE N N 15 125.507 0.3 . 1 . . . . . 80 ILE N . 51470 1 787 . 1 . 1 82 82 HIS H H 1 9.106 0.020 . 1 . . . . . 81 HIS H . 51470 1 788 . 1 . 1 82 82 HIS HA H 1 4.560 0.020 . 1 . . . . . 81 HIS HA . 51470 1 789 . 1 . 1 82 82 HIS HB2 H 1 2.711 0.020 . 1 . . . . . 81 HIS HB2 . 51470 1 790 . 1 . 1 82 82 HIS HB3 H 1 2.711 0.020 . 1 . . . . . 81 HIS HB3 . 51470 1 791 . 1 . 1 82 82 HIS C C 13 174.057 0.3 . 1 . . . . . 81 HIS C . 51470 1 792 . 1 . 1 82 82 HIS CA C 13 54.733 0.3 . 1 . . . . . 81 HIS CA . 51470 1 793 . 1 . 1 82 82 HIS CB C 13 31.136 0.3 . 1 . . . . . 81 HIS CB . 51470 1 794 . 1 . 1 82 82 HIS N N 15 126.773 0.3 . 1 . . . . . 81 HIS N . 51470 1 795 . 1 . 1 83 83 ALA H H 1 8.335 0.020 . 1 . . . . . 82 ALA H . 51470 1 796 . 1 . 1 83 83 ALA HA H 1 4.455 0.020 . 1 . . . . . 82 ALA HA . 51470 1 797 . 1 . 1 83 83 ALA HB1 H 1 1.109 0.020 . 1 . . . . . 82 ALA HB . 51470 1 798 . 1 . 1 83 83 ALA HB2 H 1 1.109 0.020 . 1 . . . . . 82 ALA HB . 51470 1 799 . 1 . 1 83 83 ALA HB3 H 1 1.109 0.020 . 1 . . . . . 82 ALA HB . 51470 1 800 . 1 . 1 83 83 ALA C C 13 176.592 0.3 . 1 . . . . . 82 ALA C . 51470 1 801 . 1 . 1 83 83 ALA CA C 13 50.506 0.3 . 1 . . . . . 82 ALA CA . 51470 1 802 . 1 . 1 83 83 ALA CB C 13 22.241 0.3 . 1 . . . . . 82 ALA CB . 51470 1 803 . 1 . 1 83 83 ALA N N 15 127.670 0.3 . 1 . . . . . 82 ALA N . 51470 1 804 . 1 . 1 84 84 VAL H H 1 9.048 0.020 . 1 . . . . . 83 VAL H . 51470 1 805 . 1 . 1 84 84 VAL HA H 1 4.167 0.020 . 1 . . . . . 83 VAL HA . 51470 1 806 . 1 . 1 84 84 VAL HB H 1 1.752 0.020 . 1 . . . . . 83 VAL HB . 51470 1 807 . 1 . 1 84 84 VAL HG11 H 1 0.731 0.020 . 1 . . . . . 83 VAL HG1 . 51470 1 808 . 1 . 1 84 84 VAL HG12 H 1 0.731 0.020 . 1 . . . . . 83 VAL HG1 . 51470 1 809 . 1 . 1 84 84 VAL HG13 H 1 0.731 0.020 . 1 . . . . . 83 VAL HG1 . 51470 1 810 . 1 . 1 84 84 VAL HG21 H 1 0.596 0.020 . 1 . . . . . 83 VAL HG2 . 51470 1 811 . 1 . 1 84 84 VAL HG22 H 1 0.596 0.020 . 1 . . . . . 83 VAL HG2 . 51470 1 812 . 1 . 1 84 84 VAL HG23 H 1 0.596 0.020 . 1 . . . . . 83 VAL HG2 . 51470 1 813 . 1 . 1 84 84 VAL C C 13 174.427 0.3 . 1 . . . . . 83 VAL C . 51470 1 814 . 1 . 1 84 84 VAL CA C 13 61.322 0.3 . 1 . . . . . 83 VAL CA . 51470 1 815 . 1 . 1 84 84 VAL CB C 13 33.060 0.3 . 1 . . . . . 83 VAL CB . 51470 1 816 . 1 . 1 84 84 VAL CG1 C 13 21.179 0.3 . 1 . . . . . 83 VAL CG1 . 51470 1 817 . 1 . 1 84 84 VAL CG2 C 13 22.357 0.3 . 1 . . . . . 83 VAL CG2 . 51470 1 818 . 1 . 1 84 84 VAL N N 15 121.416 0.3 . 1 . . . . . 83 VAL N . 51470 1 819 . 1 . 1 85 85 ALA H H 1 8.647 0.020 . 1 . . . . . 84 ALA H . 51470 1 820 . 1 . 1 85 85 ALA HA H 1 4.263 0.020 . 1 . . . . . 84 ALA HA . 51470 1 821 . 1 . 1 85 85 ALA HB1 H 1 1.083 0.020 . 1 . . . . . 84 ALA HB . 51470 1 822 . 1 . 1 85 85 ALA HB2 H 1 1.083 0.020 . 1 . . . . . 84 ALA HB . 51470 1 823 . 1 . 1 85 85 ALA HB3 H 1 1.083 0.020 . 1 . . . . . 84 ALA HB . 51470 1 824 . 1 . 1 85 85 ALA C C 13 173.889 0.3 . 1 . . . . . 84 ALA C . 51470 1 825 . 1 . 1 85 85 ALA CA C 13 49.105 0.3 . 1 . . . . . 84 ALA CA . 51470 1 826 . 1 . 1 85 85 ALA CB C 13 18.402 0.3 . 1 . . . . . 84 ALA CB . 51470 1 827 . 1 . 1 85 85 ALA N N 15 128.071 0.3 . 1 . . . . . 84 ALA N . 51470 1 828 . 1 . 1 86 86 PRO HA H 1 4.389 0.020 . 1 . . . . . 85 PRO HA . 51470 1 829 . 1 . 1 86 86 PRO HB2 H 1 2.228 0.020 . 2 . . . . . 85 PRO HB2 . 51470 1 830 . 1 . 1 86 86 PRO HB3 H 1 2.189 0.020 . 2 . . . . . 85 PRO HB3 . 51470 1 831 . 1 . 1 86 86 PRO HG2 H 1 1.921 0.020 . 1 . . . . . 85 PRO HG2 . 51470 1 832 . 1 . 1 86 86 PRO HG3 H 1 1.921 0.020 . 1 . . . . . 85 PRO HG3 . 51470 1 833 . 1 . 1 86 86 PRO HD2 H 1 3.355 0.020 . 2 . . . . . 85 PRO HD2 . 51470 1 834 . 1 . 1 86 86 PRO HD3 H 1 3.480 0.020 . 2 . . . . . 85 PRO HD3 . 51470 1 835 . 1 . 1 86 86 PRO C C 13 173.223 0.3 . 1 . . . . . 85 PRO C . 51470 1 836 . 1 . 1 86 86 PRO CA C 13 62.824 0.3 . 1 . . . . . 85 PRO CA . 51470 1 837 . 1 . 1 86 86 PRO CB C 13 31.774 0.3 . 1 . . . . . 85 PRO CB . 51470 1 838 . 1 . 1 86 86 PRO CG C 13 27.389 0.3 . 1 . . . . . 85 PRO CG . 51470 1 839 . 1 . 1 86 86 PRO CD C 13 49.877 0.3 . 1 . . . . . 85 PRO CD . 51470 1 840 . 1 . 1 87 87 ASP H H 1 7.867 0.020 . 1 . . . . . 86 ASP H . 51470 1 841 . 1 . 1 87 87 ASP HA H 1 4.583 0.020 . 1 . . . . . 86 ASP HA . 51470 1 842 . 1 . 1 87 87 ASP HB2 H 1 2.872 0.020 . 2 . . . . . 86 ASP HB2 . 51470 1 843 . 1 . 1 87 87 ASP HB3 H 1 1.869 0.020 . 2 . . . . . 86 ASP HB3 . 51470 1 844 . 1 . 1 87 87 ASP C C 13 178.111 0.3 . 1 . . . . . 86 ASP C . 51470 1 845 . 1 . 1 87 87 ASP CA C 13 52.729 0.3 . 1 . . . . . 86 ASP CA . 51470 1 846 . 1 . 1 87 87 ASP CB C 13 41.013 0.3 . 1 . . . . . 86 ASP CB . 51470 1 847 . 1 . 1 87 87 ASP N N 15 115.831 0.3 . 1 . . . . . 86 ASP N . 51470 1 848 . 1 . 1 88 88 TYR H H 1 8.895 0.020 . 1 . . . . . 87 TYR H . 51470 1 849 . 1 . 1 88 88 TYR HA H 1 4.789 0.020 . 1 . . . . . 87 TYR HA . 51470 1 850 . 1 . 1 88 88 TYR HB2 H 1 3.276 0.020 . 2 . . . . . 87 TYR HB2 . 51470 1 851 . 1 . 1 88 88 TYR HB3 H 1 2.954 0.020 . 2 . . . . . 87 TYR HB3 . 51470 1 852 . 1 . 1 88 88 TYR C C 13 177.463 0.3 . 1 . . . . . 87 TYR C . 51470 1 853 . 1 . 1 88 88 TYR CA C 13 57.642 0.3 . 1 . . . . . 87 TYR CA . 51470 1 854 . 1 . 1 88 88 TYR CB C 13 36.608 0.3 . 1 . . . . . 87 TYR CB . 51470 1 855 . 1 . 1 88 88 TYR N N 15 130.669 0.3 . 1 . . . . . 87 TYR N . 51470 1 856 . 1 . 1 89 89 ARG H H 1 8.483 0.020 . 1 . . . . . 88 ARG H . 51470 1 857 . 1 . 1 89 89 ARG HA H 1 4.071 0.020 . 1 . . . . . 88 ARG HA . 51470 1 858 . 1 . 1 89 89 ARG HB2 H 1 1.853 0.020 . 1 . . . . . 88 ARG HB2 . 51470 1 859 . 1 . 1 89 89 ARG HB3 H 1 1.853 0.020 . 1 . . . . . 88 ARG HB3 . 51470 1 860 . 1 . 1 89 89 ARG HG2 H 1 1.726 0.020 . 1 . . . . . 88 ARG HG2 . 51470 1 861 . 1 . 1 89 89 ARG HG3 H 1 1.726 0.020 . 1 . . . . . 88 ARG HG3 . 51470 1 862 . 1 . 1 89 89 ARG HD2 H 1 3.253 0.020 . 1 . . . . . 88 ARG HD2 . 51470 1 863 . 1 . 1 89 89 ARG HD3 H 1 3.253 0.020 . 1 . . . . . 88 ARG HD3 . 51470 1 864 . 1 . 1 89 89 ARG C C 13 177.533 0.3 . 1 . . . . . 88 ARG C . 51470 1 865 . 1 . 1 89 89 ARG CA C 13 58.713 0.3 . 1 . . . . . 88 ARG CA . 51470 1 866 . 1 . 1 89 89 ARG CB C 13 29.821 0.3 . 1 . . . . . 88 ARG CB . 51470 1 867 . 1 . 1 89 89 ARG CG C 13 27.196 0.3 . 1 . . . . . 88 ARG CG . 51470 1 868 . 1 . 1 89 89 ARG CD C 13 43.325 0.3 . 1 . . . . . 88 ARG CD . 51470 1 869 . 1 . 1 89 89 ARG N N 15 118.507 0.3 . 1 . . . . . 88 ARG N . 51470 1 870 . 1 . 1 90 90 LEU H H 1 7.576 0.020 . 1 . . . . . 89 LEU H . 51470 1 871 . 1 . 1 90 90 LEU HA H 1 4.450 0.020 . 1 . . . . . 89 LEU HA . 51470 1 872 . 1 . 1 90 90 LEU HB2 H 1 1.630 0.020 . 2 . . . . . 89 LEU HB2 . 51470 1 873 . 1 . 1 90 90 LEU HB3 H 1 1.810 0.020 . 2 . . . . . 89 LEU HB3 . 51470 1 874 . 1 . 1 90 90 LEU HG H 1 1.465 0.020 . 1 . . . . . 89 LEU HG . 51470 1 875 . 1 . 1 90 90 LEU HD11 H 1 0.941 0.020 . 1 . . . . . 89 LEU HD1 . 51470 1 876 . 1 . 1 90 90 LEU HD12 H 1 0.941 0.020 . 1 . . . . . 89 LEU HD1 . 51470 1 877 . 1 . 1 90 90 LEU HD13 H 1 0.941 0.020 . 1 . . . . . 89 LEU HD1 . 51470 1 878 . 1 . 1 90 90 LEU HD21 H 1 0.833 0.020 . 1 . . . . . 89 LEU HD2 . 51470 1 879 . 1 . 1 90 90 LEU HD22 H 1 0.833 0.020 . 1 . . . . . 89 LEU HD2 . 51470 1 880 . 1 . 1 90 90 LEU HD23 H 1 0.833 0.020 . 1 . . . . . 89 LEU HD2 . 51470 1 881 . 1 . 1 90 90 LEU C C 13 176.655 0.3 . 1 . . . . . 89 LEU C . 51470 1 882 . 1 . 1 90 90 LEU CA C 13 54.706 0.3 . 1 . . . . . 89 LEU CA . 51470 1 883 . 1 . 1 90 90 LEU CB C 13 43.139 0.3 . 1 . . . . . 89 LEU CB . 51470 1 884 . 1 . 1 90 90 LEU CG C 13 27.011 0.3 . 1 . . . . . 89 LEU CG . 51470 1 885 . 1 . 1 90 90 LEU CD1 C 13 25.476 0.3 . 1 . . . . . 89 LEU CD1 . 51470 1 886 . 1 . 1 90 90 LEU CD2 C 13 22.924 0.3 . 1 . . . . . 89 LEU CD2 . 51470 1 887 . 1 . 1 90 90 LEU N N 15 117.760 0.3 . 1 . . . . . 89 LEU N . 51470 1 888 . 1 . 1 91 91 GLU H H 1 7.833 0.020 . 1 . . . . . 90 GLU H . 51470 1 889 . 1 . 1 91 91 GLU HA H 1 4.195 0.020 . 1 . . . . . 90 GLU HA . 51470 1 890 . 1 . 1 91 91 GLU HB2 H 1 1.926 0.020 . 1 . . . . . 90 GLU HB2 . 51470 1 891 . 1 . 1 91 91 GLU HB3 H 1 1.926 0.020 . 1 . . . . . 90 GLU HB3 . 51470 1 892 . 1 . 1 91 91 GLU HG2 H 1 2.153 0.020 . 1 . . . . . 90 GLU HG2 . 51470 1 893 . 1 . 1 91 91 GLU HG3 H 1 2.153 0.020 . 1 . . . . . 90 GLU HG3 . 51470 1 894 . 1 . 1 91 91 GLU C C 13 175.052 0.3 . 1 . . . . . 90 GLU C . 51470 1 895 . 1 . 1 91 91 GLU CA C 13 55.954 0.3 . 1 . . . . . 90 GLU CA . 51470 1 896 . 1 . 1 91 91 GLU CB C 13 30.803 0.3 . 1 . . . . . 90 GLU CB . 51470 1 897 . 1 . 1 91 91 GLU CG C 13 35.399 0.3 . 1 . . . . . 90 GLU CG . 51470 1 898 . 1 . 1 91 91 GLU N N 15 117.911 0.3 . 1 . . . . . 90 GLU N . 51470 1 899 . 1 . 1 92 92 HIS H H 1 8.741 0.020 . 1 . . . . . 91 HIS H . 51470 1 900 . 1 . 1 92 92 HIS HA H 1 3.757 0.020 . 1 . . . . . 91 HIS HA . 51470 1 901 . 1 . 1 92 92 HIS HB2 H 1 2.911 0.020 . 2 . . . . . 91 HIS HB2 . 51470 1 902 . 1 . 1 92 92 HIS HB3 H 1 2.776 0.020 . 2 . . . . . 91 HIS HB3 . 51470 1 903 . 1 . 1 92 92 HIS C C 13 172.786 0.3 . 1 . . . . . 91 HIS C . 51470 1 904 . 1 . 1 92 92 HIS CA C 13 53.556 0.3 . 1 . . . . . 91 HIS CA . 51470 1 905 . 1 . 1 92 92 HIS CB C 13 28.948 0.3 . 1 . . . . . 91 HIS CB . 51470 1 906 . 1 . 1 92 92 HIS N N 15 121.912 0.3 . 1 . . . . . 91 HIS N . 51470 1 907 . 1 . 1 93 93 ASN H H 1 7.175 0.020 . 1 . . . . . 92 ASN H . 51470 1 908 . 1 . 1 93 93 ASN HA H 1 5.132 0.020 . 1 . . . . . 92 ASN HA . 51470 1 909 . 1 . 1 93 93 ASN HB2 H 1 3.048 0.020 . 2 . . . . . 92 ASN HB2 . 51470 1 910 . 1 . 1 93 93 ASN HB3 H 1 2.641 0.020 . 2 . . . . . 92 ASN HB3 . 51470 1 911 . 1 . 1 93 93 ASN C C 13 173.367 0.3 . 1 . . . . . 92 ASN C . 51470 1 912 . 1 . 1 93 93 ASN CA C 13 50.437 0.3 . 1 . . . . . 92 ASN CA . 51470 1 913 . 1 . 1 93 93 ASN CB C 13 39.530 0.3 . 1 . . . . . 92 ASN CB . 51470 1 914 . 1 . 1 93 93 ASN N N 15 119.695 0.3 . 1 . . . . . 92 ASN N . 51470 1 915 . 1 . 1 94 94 PRO HA H 1 4.618 0.020 . 1 . . . . . 93 PRO HA . 51470 1 916 . 1 . 1 94 94 PRO HB2 H 1 2.503 0.020 . 2 . . . . . 93 PRO HB2 . 51470 1 917 . 1 . 1 94 94 PRO HB3 H 1 2.123 0.020 . 2 . . . . . 93 PRO HB3 . 51470 1 918 . 1 . 1 94 94 PRO HG2 H 1 2.154 0.020 . 1 . . . . . 93 PRO HG2 . 51470 1 919 . 1 . 1 94 94 PRO HG3 H 1 2.154 0.020 . 1 . . . . . 93 PRO HG3 . 51470 1 920 . 1 . 1 94 94 PRO HD2 H 1 3.759 0.020 . 1 . . . . . 93 PRO HD2 . 51470 1 921 . 1 . 1 94 94 PRO HD3 H 1 3.759 0.020 . 1 . . . . . 93 PRO HD3 . 51470 1 922 . 1 . 1 94 94 PRO C C 13 179.394 0.3 . 1 . . . . . 93 PRO C . 51470 1 923 . 1 . 1 94 94 PRO CA C 13 64.638 0.3 . 1 . . . . . 93 PRO CA . 51470 1 924 . 1 . 1 94 94 PRO CB C 13 32.045 0.3 . 1 . . . . . 93 PRO CB . 51470 1 925 . 1 . 1 94 94 PRO CG C 13 27.395 0.3 . 1 . . . . . 93 PRO CG . 51470 1 926 . 1 . 1 94 94 PRO CD C 13 50.645 0.3 . 1 . . . . . 93 PRO CD . 51470 1 927 . 1 . 1 95 95 LYS H H 1 8.248 0.020 . 1 . . . . . 94 LYS H . 51470 1 928 . 1 . 1 95 95 LYS HA H 1 4.204 0.020 . 1 . . . . . 94 LYS HA . 51470 1 929 . 1 . 1 95 95 LYS HB2 H 1 1.883 0.020 . 2 . . . . . 94 LYS HB2 . 51470 1 930 . 1 . 1 95 95 LYS HB3 H 1 1.972 0.020 . 2 . . . . . 94 LYS HB3 . 51470 1 931 . 1 . 1 95 95 LYS HG2 H 1 1.715 0.020 . 1 . . . . . 94 LYS HG2 . 51470 1 932 . 1 . 1 95 95 LYS HG3 H 1 1.715 0.020 . 1 . . . . . 94 LYS HG3 . 51470 1 933 . 1 . 1 95 95 LYS HD2 H 1 1.579 0.020 . 2 . . . . . 94 LYS HD2 . 51470 1 934 . 1 . 1 95 95 LYS HD3 H 1 1.463 0.020 . 2 . . . . . 94 LYS HD3 . 51470 1 935 . 1 . 1 95 95 LYS HE2 H 1 3.018 0.020 . 1 . . . . . 94 LYS HE2 . 51470 1 936 . 1 . 1 95 95 LYS HE3 H 1 3.018 0.020 . 1 . . . . . 94 LYS HE3 . 51470 1 937 . 1 . 1 95 95 LYS C C 13 180.098 0.3 . 1 . . . . . 94 LYS C . 51470 1 938 . 1 . 1 95 95 LYS CA C 13 59.252 0.3 . 1 . . . . . 94 LYS CA . 51470 1 939 . 1 . 1 95 95 LYS CB C 13 31.406 0.3 . 1 . . . . . 94 LYS CB . 51470 1 940 . 1 . 1 95 95 LYS CG C 13 25.354 0.3 . 1 . . . . . 94 LYS CG . 51470 1 941 . 1 . 1 95 95 LYS CD C 13 29.038 0.3 . 1 . . . . . 94 LYS CD . 51470 1 942 . 1 . 1 95 95 LYS CE C 13 42.115 0.3 . 1 . . . . . 94 LYS CE . 51470 1 943 . 1 . 1 95 95 LYS N N 15 119.458 0.3 . 1 . . . . . 94 LYS N . 51470 1 944 . 1 . 1 96 96 MET H H 1 7.809 0.020 . 1 . . . . . 95 MET H . 51470 1 945 . 1 . 1 96 96 MET HA H 1 4.366 0.020 . 1 . . . . . 95 MET HA . 51470 1 946 . 1 . 1 96 96 MET HB2 H 1 2.565 0.020 . 2 . . . . . 95 MET HB2 . 51470 1 947 . 1 . 1 96 96 MET HB3 H 1 2.802 0.020 . 2 . . . . . 95 MET HB3 . 51470 1 948 . 1 . 1 96 96 MET HG2 H 1 2.169 0.020 . 1 . . . . . 95 MET HG2 . 51470 1 949 . 1 . 1 96 96 MET HG3 H 1 2.169 0.020 . 1 . . . . . 95 MET HG3 . 51470 1 950 . 1 . 1 96 96 MET C C 13 178.985 0.3 . 1 . . . . . 95 MET C . 51470 1 951 . 1 . 1 96 96 MET CA C 13 57.596 0.3 . 1 . . . . . 95 MET CA . 51470 1 952 . 1 . 1 96 96 MET CB C 13 32.636 0.3 . 1 . . . . . 95 MET CB . 51470 1 953 . 1 . 1 96 96 MET CG C 13 32.944 0.3 . 1 . . . . . 95 MET CG . 51470 1 954 . 1 . 1 96 96 MET N N 15 118.295 0.3 . 1 . . . . . 95 MET N . 51470 1 955 . 1 . 1 97 97 LEU H H 1 7.631 0.020 . 1 . . . . . 96 LEU H . 51470 1 956 . 1 . 1 97 97 LEU HA H 1 4.069 0.020 . 1 . . . . . 96 LEU HA . 51470 1 957 . 1 . 1 97 97 LEU HB2 H 1 2.265 0.020 . 2 . . . . . 96 LEU HB2 . 51470 1 958 . 1 . 1 97 97 LEU HB3 H 1 1.641 0.020 . 2 . . . . . 96 LEU HB3 . 51470 1 959 . 1 . 1 97 97 LEU HG H 1 0.819 0.020 . 1 . . . . . 96 LEU HG . 51470 1 960 . 1 . 1 97 97 LEU HD11 H 1 0.826 0.020 . 1 . . . . . 96 LEU HD1 . 51470 1 961 . 1 . 1 97 97 LEU HD12 H 1 0.826 0.020 . 1 . . . . . 96 LEU HD1 . 51470 1 962 . 1 . 1 97 97 LEU HD13 H 1 0.826 0.020 . 1 . . . . . 96 LEU HD1 . 51470 1 963 . 1 . 1 97 97 LEU HD21 H 1 0.976 0.020 . 1 . . . . . 96 LEU HD2 . 51470 1 964 . 1 . 1 97 97 LEU HD22 H 1 0.976 0.020 . 1 . . . . . 96 LEU HD2 . 51470 1 965 . 1 . 1 97 97 LEU HD23 H 1 0.976 0.020 . 1 . . . . . 96 LEU HD2 . 51470 1 966 . 1 . 1 97 97 LEU C C 13 176.857 0.3 . 1 . . . . . 96 LEU C . 51470 1 967 . 1 . 1 97 97 LEU CA C 13 58.093 0.3 . 1 . . . . . 96 LEU CA . 51470 1 968 . 1 . 1 97 97 LEU CB C 13 42.133 0.3 . 1 . . . . . 96 LEU CB . 51470 1 969 . 1 . 1 97 97 LEU CG C 13 26.206 0.3 . 1 . . . . . 96 LEU CG . 51470 1 970 . 1 . 1 97 97 LEU CD1 C 13 25.934 0.3 . 1 . . . . . 96 LEU CD1 . 51470 1 971 . 1 . 1 97 97 LEU CD2 C 13 23.157 0.3 . 1 . . . . . 96 LEU CD2 . 51470 1 972 . 1 . 1 97 97 LEU N N 15 122.663 0.3 . 1 . . . . . 96 LEU N . 51470 1 973 . 1 . 1 98 98 GLU H H 1 7.651 0.020 . 1 . . . . . 97 GLU H . 51470 1 974 . 1 . 1 98 98 GLU HA H 1 3.942 0.020 . 1 . . . . . 97 GLU HA . 51470 1 975 . 1 . 1 98 98 GLU HB2 H 1 2.190 0.020 . 1 . . . . . 97 GLU HB2 . 51470 1 976 . 1 . 1 98 98 GLU HB3 H 1 2.190 0.020 . 1 . . . . . 97 GLU HB3 . 51470 1 977 . 1 . 1 98 98 GLU HG2 H 1 2.214 0.020 . 2 . . . . . 97 GLU HG2 . 51470 1 978 . 1 . 1 98 98 GLU HG3 H 1 2.432 0.020 . 2 . . . . . 97 GLU HG3 . 51470 1 979 . 1 . 1 98 98 GLU C C 13 178.901 0.3 . 1 . . . . . 97 GLU C . 51470 1 980 . 1 . 1 98 98 GLU CA C 13 60.256 0.3 . 1 . . . . . 97 GLU CA . 51470 1 981 . 1 . 1 98 98 GLU CB C 13 29.593 0.3 . 1 . . . . . 97 GLU CB . 51470 1 982 . 1 . 1 98 98 GLU CG C 13 35.899 0.3 . 1 . . . . . 97 GLU CG . 51470 1 983 . 1 . 1 98 98 GLU N N 15 117.103 0.3 . 1 . . . . . 97 GLU N . 51470 1 984 . 1 . 1 99 99 ALA H H 1 7.756 0.020 . 1 . . . . . 98 ALA H . 51470 1 985 . 1 . 1 99 99 ALA HA H 1 4.031 0.020 . 1 . . . . . 98 ALA HA . 51470 1 986 . 1 . 1 99 99 ALA HB1 H 1 1.504 0.020 . 1 . . . . . 98 ALA HB . 51470 1 987 . 1 . 1 99 99 ALA HB2 H 1 1.504 0.020 . 1 . . . . . 98 ALA HB . 51470 1 988 . 1 . 1 99 99 ALA HB3 H 1 1.504 0.020 . 1 . . . . . 98 ALA HB . 51470 1 989 . 1 . 1 99 99 ALA C C 13 177.984 0.3 . 1 . . . . . 98 ALA C . 51470 1 990 . 1 . 1 99 99 ALA CA C 13 54.780 0.3 . 1 . . . . . 98 ALA CA . 51470 1 991 . 1 . 1 99 99 ALA CB C 13 18.220 0.3 . 1 . . . . . 98 ALA CB . 51470 1 992 . 1 . 1 99 99 ALA N N 15 119.842 0.3 . 1 . . . . . 98 ALA N . 51470 1 993 . 1 . 1 100 100 ALA H H 1 7.641 0.020 . 1 . . . . . 99 ALA H . 51470 1 994 . 1 . 1 100 100 ALA HA H 1 4.086 0.020 . 1 . . . . . 99 ALA HA . 51470 1 995 . 1 . 1 100 100 ALA HB1 H 1 1.412 0.020 . 1 . . . . . 99 ALA HB . 51470 1 996 . 1 . 1 100 100 ALA HB2 H 1 1.412 0.020 . 1 . . . . . 99 ALA HB . 51470 1 997 . 1 . 1 100 100 ALA HB3 H 1 1.412 0.020 . 1 . . . . . 99 ALA HB . 51470 1 998 . 1 . 1 100 100 ALA C C 13 180.115 0.3 . 1 . . . . . 99 ALA C . 51470 1 999 . 1 . 1 100 100 ALA CA C 13 54.364 0.3 . 1 . . . . . 99 ALA CA . 51470 1 1000 . 1 . 1 100 100 ALA CB C 13 18.552 0.3 . 1 . . . . . 99 ALA CB . 51470 1 1001 . 1 . 1 100 100 ALA N N 15 118.231 0.3 . 1 . . . . . 99 ALA N . 51470 1 1002 . 1 . 1 101 101 TYR H H 1 6.991 0.020 . 1 . . . . . 100 TYR H . 51470 1 1003 . 1 . 1 101 101 TYR HA H 1 4.324 0.020 . 1 . . . . . 100 TYR HA . 51470 1 1004 . 1 . 1 101 101 TYR HB2 H 1 3.379 0.020 . 2 . . . . . 100 TYR HB2 . 51470 1 1005 . 1 . 1 101 101 TYR HB3 H 1 2.685 0.020 . 2 . . . . . 100 TYR HB3 . 51470 1 1006 . 1 . 1 101 101 TYR C C 13 180.625 0.3 . 1 . . . . . 100 TYR C . 51470 1 1007 . 1 . 1 101 101 TYR CA C 13 61.633 0.3 . 1 . . . . . 100 TYR CA . 51470 1 1008 . 1 . 1 101 101 TYR CB C 13 39.540 0.3 . 1 . . . . . 100 TYR CB . 51470 1 1009 . 1 . 1 101 101 TYR N N 15 109.241 0.3 . 1 . . . . . 100 TYR N . 51470 1 1010 . 1 . 1 102 102 ARG H H 1 9.261 0.020 . 1 . . . . . 101 ARG H . 51470 1 1011 . 1 . 1 102 102 ARG HA H 1 3.942 0.020 . 1 . . . . . 101 ARG HA . 51470 1 1012 . 1 . 1 102 102 ARG HB2 H 1 1.967 0.020 . 1 . . . . . 101 ARG HB2 . 51470 1 1013 . 1 . 1 102 102 ARG HB3 H 1 1.967 0.020 . 1 . . . . . 101 ARG HB3 . 51470 1 1014 . 1 . 1 102 102 ARG HG2 H 1 1.697 0.020 . 1 . . . . . 101 ARG HG2 . 51470 1 1015 . 1 . 1 102 102 ARG HG3 H 1 1.697 0.020 . 1 . . . . . 101 ARG HG3 . 51470 1 1016 . 1 . 1 102 102 ARG HD2 H 1 3.222 0.020 . 1 . . . . . 101 ARG HD2 . 51470 1 1017 . 1 . 1 102 102 ARG HD3 H 1 3.222 0.020 . 1 . . . . . 101 ARG HD3 . 51470 1 1018 . 1 . 1 102 102 ARG C C 13 179.291 0.3 . 1 . . . . . 101 ARG C . 51470 1 1019 . 1 . 1 102 102 ARG CA C 13 60.846 0.3 . 1 . . . . . 101 ARG CA . 51470 1 1020 . 1 . 1 102 102 ARG CB C 13 29.795 0.3 . 1 . . . . . 101 ARG CB . 51470 1 1021 . 1 . 1 102 102 ARG CG C 13 26.736 0.3 . 1 . . . . . 101 ARG CG . 51470 1 1022 . 1 . 1 102 102 ARG CD C 13 42.637 0.3 . 1 . . . . . 101 ARG CD . 51470 1 1023 . 1 . 1 102 102 ARG N N 15 127.722 0.3 . 1 . . . . . 101 ARG N . 51470 1 1024 . 1 . 1 103 103 GLU H H 1 8.719 0.020 . 1 . . . . . 102 GLU H . 51470 1 1025 . 1 . 1 103 103 GLU HA H 1 3.984 0.020 . 1 . . . . . 102 GLU HA . 51470 1 1026 . 1 . 1 103 103 GLU HB2 H 1 1.972 0.020 . 2 . . . . . 102 GLU HB2 . 51470 1 1027 . 1 . 1 103 103 GLU HB3 H 1 1.993 0.020 . 2 . . . . . 102 GLU HB3 . 51470 1 1028 . 1 . 1 103 103 GLU HG2 H 1 2.365 0.020 . 2 . . . . . 102 GLU HG2 . 51470 1 1029 . 1 . 1 103 103 GLU HG3 H 1 2.264 0.020 . 2 . . . . . 102 GLU HG3 . 51470 1 1030 . 1 . 1 103 103 GLU C C 13 177.269 0.3 . 1 . . . . . 102 GLU C . 51470 1 1031 . 1 . 1 103 103 GLU CA C 13 58.374 0.3 . 1 . . . . . 102 GLU CA . 51470 1 1032 . 1 . 1 103 103 GLU CB C 13 29.934 0.3 . 1 . . . . . 102 GLU CB . 51470 1 1033 . 1 . 1 103 103 GLU CG C 13 36.363 0.3 . 1 . . . . . 102 GLU CG . 51470 1 1034 . 1 . 1 103 103 GLU N N 15 117.861 0.3 . 1 . . . . . 102 GLU N . 51470 1 1035 . 1 . 1 104 104 THR H H 1 7.622 0.020 . 1 . . . . . 103 THR H . 51470 1 1036 . 1 . 1 104 104 THR HA H 1 4.236 0.020 . 1 . . . . . 103 THR HA . 51470 1 1037 . 1 . 1 104 104 THR HB H 1 4.377 0.020 . 1 . . . . . 103 THR HB . 51470 1 1038 . 1 . 1 104 104 THR HG21 H 1 1.319 0.020 . 1 . . . . . 103 THR HG2 . 51470 1 1039 . 1 . 1 104 104 THR HG22 H 1 1.319 0.020 . 1 . . . . . 103 THR HG2 . 51470 1 1040 . 1 . 1 104 104 THR HG23 H 1 1.319 0.020 . 1 . . . . . 103 THR HG2 . 51470 1 1041 . 1 . 1 104 104 THR C C 13 174.711 0.3 . 1 . . . . . 103 THR C . 51470 1 1042 . 1 . 1 104 104 THR CA C 13 62.295 0.3 . 1 . . . . . 103 THR CA . 51470 1 1043 . 1 . 1 104 104 THR CB C 13 69.595 0.3 . 1 . . . . . 103 THR CB . 51470 1 1044 . 1 . 1 104 104 THR CG2 C 13 22.262 0.3 . 1 . . . . . 103 THR CG2 . 51470 1 1045 . 1 . 1 104 104 THR N N 15 106.181 0.3 . 1 . . . . . 103 THR N . 51470 1 1046 . 1 . 1 105 105 CYS H H 1 7.462 0.020 . 1 . . . . . 104 CYS H . 51470 1 1047 . 1 . 1 105 105 CYS HA H 1 4.232 0.020 . 1 . . . . . 104 CYS HA . 51470 1 1048 . 1 . 1 105 105 CYS HB2 H 1 2.954 0.020 . 2 . . . . . 104 CYS HB2 . 51470 1 1049 . 1 . 1 105 105 CYS HB3 H 1 3.091 0.020 . 2 . . . . . 104 CYS HB3 . 51470 1 1050 . 1 . 1 105 105 CYS C C 13 174.147 0.3 . 1 . . . . . 104 CYS C . 51470 1 1051 . 1 . 1 105 105 CYS CA C 13 61.996 0.3 . 1 . . . . . 104 CYS CA . 51470 1 1052 . 1 . 1 105 105 CYS CB C 13 28.521 0.3 . 1 . . . . . 104 CYS CB . 51470 1 1053 . 1 . 1 105 105 CYS N N 15 117.117 0.3 . 1 . . . . . 104 CYS N . 51470 1 1054 . 1 . 1 106 106 SER H H 1 7.390 0.020 . 1 . . . . . 105 SER H . 51470 1 1055 . 1 . 1 106 106 SER HA H 1 4.504 0.020 . 1 . . . . . 105 SER HA . 51470 1 1056 . 1 . 1 106 106 SER HB2 H 1 3.701 0.020 . 2 . . . . . 105 SER HB2 . 51470 1 1057 . 1 . 1 106 106 SER HB3 H 1 3.624 0.020 . 2 . . . . . 105 SER HB3 . 51470 1 1058 . 1 . 1 106 106 SER C C 13 172.156 0.3 . 1 . . . . . 105 SER C . 51470 1 1059 . 1 . 1 106 106 SER CA C 13 55.991 0.3 . 1 . . . . . 105 SER CA . 51470 1 1060 . 1 . 1 106 106 SER CB C 13 61.014 0.3 . 1 . . . . . 105 SER CB . 51470 1 1061 . 1 . 1 106 106 SER N N 15 120.710 0.3 . 1 . . . . . 105 SER N . 51470 1 1062 . 1 . 1 107 107 ARG H H 1 7.422 0.020 . 1 . . . . . 106 ARG H . 51470 1 1063 . 1 . 1 107 107 ARG HA H 1 4.494 0.020 . 1 . . . . . 106 ARG HA . 51470 1 1064 . 1 . 1 107 107 ARG HB2 H 1 1.713 0.020 . 1 . . . . . 106 ARG HB2 . 51470 1 1065 . 1 . 1 107 107 ARG HB3 H 1 1.713 0.020 . 1 . . . . . 106 ARG HB3 . 51470 1 1066 . 1 . 1 107 107 ARG HG2 H 1 1.652 0.020 . 1 . . . . . 106 ARG HG2 . 51470 1 1067 . 1 . 1 107 107 ARG HG3 H 1 1.652 0.020 . 1 . . . . . 106 ARG HG3 . 51470 1 1068 . 1 . 1 107 107 ARG HD2 H 1 2.965 0.020 . 1 . . . . . 106 ARG HD2 . 51470 1 1069 . 1 . 1 107 107 ARG HD3 H 1 2.965 0.020 . 1 . . . . . 106 ARG HD3 . 51470 1 1070 . 1 . 1 107 107 ARG C C 13 176.184 0.3 . 1 . . . . . 106 ARG C . 51470 1 1071 . 1 . 1 107 107 ARG CA C 13 53.201 0.3 . 1 . . . . . 106 ARG CA . 51470 1 1072 . 1 . 1 107 107 ARG CB C 13 29.364 0.3 . 1 . . . . . 106 ARG CB . 51470 1 1073 . 1 . 1 107 107 ARG CG C 13 26.940 0.3 . 1 . . . . . 106 ARG CG . 51470 1 1074 . 1 . 1 107 107 ARG CD C 13 43.156 0.3 . 1 . . . . . 106 ARG CD . 51470 1 1075 . 1 . 1 107 107 ARG N N 15 111.538 0.3 . 1 . . . . . 106 ARG N . 51470 1 1076 . 1 . 1 108 108 LEU H H 1 8.532 0.020 . 1 . . . . . 107 LEU H . 51470 1 1077 . 1 . 1 108 108 LEU HA H 1 4.690 0.020 . 1 . . . . . 107 LEU HA . 51470 1 1078 . 1 . 1 108 108 LEU HB2 H 1 1.756 0.020 . 2 . . . . . 107 LEU HB2 . 51470 1 1079 . 1 . 1 108 108 LEU HB3 H 1 1.653 0.020 . 2 . . . . . 107 LEU HB3 . 51470 1 1080 . 1 . 1 108 108 LEU HG H 1 1.698 0.020 . 1 . . . . . 107 LEU HG . 51470 1 1081 . 1 . 1 108 108 LEU HD11 H 1 0.976 0.020 . 1 . . . . . 107 LEU HD1 . 51470 1 1082 . 1 . 1 108 108 LEU HD12 H 1 0.976 0.020 . 1 . . . . . 107 LEU HD1 . 51470 1 1083 . 1 . 1 108 108 LEU HD13 H 1 0.976 0.020 . 1 . . . . . 107 LEU HD1 . 51470 1 1084 . 1 . 1 108 108 LEU HD21 H 1 0.933 0.020 . 1 . . . . . 107 LEU HD2 . 51470 1 1085 . 1 . 1 108 108 LEU HD22 H 1 0.933 0.020 . 1 . . . . . 107 LEU HD2 . 51470 1 1086 . 1 . 1 108 108 LEU HD23 H 1 0.933 0.020 . 1 . . . . . 107 LEU HD2 . 51470 1 1087 . 1 . 1 108 108 LEU C C 13 178.220 0.3 . 1 . . . . . 107 LEU C . 51470 1 1088 . 1 . 1 108 108 LEU CA C 13 54.377 0.3 . 1 . . . . . 107 LEU CA . 51470 1 1089 . 1 . 1 108 108 LEU CB C 13 43.174 0.3 . 1 . . . . . 107 LEU CB . 51470 1 1090 . 1 . 1 108 108 LEU CG C 13 26.719 0.3 . 1 . . . . . 107 LEU CG . 51470 1 1091 . 1 . 1 108 108 LEU CD1 C 13 25.057 0.3 . 1 . . . . . 107 LEU CD1 . 51470 1 1092 . 1 . 1 108 108 LEU CD2 C 13 23.666 0.3 . 1 . . . . . 107 LEU CD2 . 51470 1 1093 . 1 . 1 108 108 LEU N N 15 120.826 0.3 . 1 . . . . . 107 LEU N . 51470 1 1094 . 1 . 1 109 109 GLY H H 1 8.509 0.020 . 1 . . . . . 108 GLY H . 51470 1 1095 . 1 . 1 109 109 GLY HA2 H 1 4.490 0.020 . 2 . . . . . 108 GLY HA2 . 51470 1 1096 . 1 . 1 109 109 GLY HA3 H 1 4.195 0.020 . 2 . . . . . 108 GLY HA3 . 51470 1 1097 . 1 . 1 109 109 GLY C C 13 173.993 0.3 . 1 . . . . . 108 GLY C . 51470 1 1098 . 1 . 1 109 109 GLY CA C 13 44.201 0.3 . 1 . . . . . 108 GLY CA . 51470 1 1099 . 1 . 1 109 109 GLY N N 15 109.342 0.3 . 1 . . . . . 108 GLY N . 51470 1 1100 . 1 . 1 110 110 THR H H 1 8.193 0.020 . 1 . . . . . 109 THR H . 51470 1 1101 . 1 . 1 110 110 THR HA H 1 4.657 0.020 . 1 . . . . . 109 THR HA . 51470 1 1102 . 1 . 1 110 110 THR HB H 1 4.639 0.020 . 1 . . . . . 109 THR HB . 51470 1 1103 . 1 . 1 110 110 THR HG21 H 1 1.498 0.020 . 1 . . . . . 109 THR HG2 . 51470 1 1104 . 1 . 1 110 110 THR HG22 H 1 1.498 0.020 . 1 . . . . . 109 THR HG2 . 51470 1 1105 . 1 . 1 110 110 THR HG23 H 1 1.498 0.020 . 1 . . . . . 109 THR HG2 . 51470 1 1106 . 1 . 1 110 110 THR C C 13 174.290 0.3 . 1 . . . . . 109 THR C . 51470 1 1107 . 1 . 1 110 110 THR CA C 13 60.618 0.3 . 1 . . . . . 109 THR CA . 51470 1 1108 . 1 . 1 110 110 THR CB C 13 73.028 0.3 . 1 . . . . . 109 THR CB . 51470 1 1109 . 1 . 1 110 110 THR CG2 C 13 22.508 0.3 . 1 . . . . . 109 THR CG2 . 51470 1 1110 . 1 . 1 110 110 THR N N 15 109.965 0.3 . 1 . . . . . 109 THR N . 51470 1 1111 . 1 . 1 111 111 ALA H H 1 9.390 0.020 . 1 . . . . . 110 ALA H . 51470 1 1112 . 1 . 1 111 111 ALA HA H 1 5.633 0.020 . 1 . . . . . 110 ALA HA . 51470 1 1113 . 1 . 1 111 111 ALA HB1 H 1 0.977 0.020 . 1 . . . . . 110 ALA HB . 51470 1 1114 . 1 . 1 111 111 ALA HB2 H 1 0.977 0.020 . 1 . . . . . 110 ALA HB . 51470 1 1115 . 1 . 1 111 111 ALA HB3 H 1 0.977 0.020 . 1 . . . . . 110 ALA HB . 51470 1 1116 . 1 . 1 111 111 ALA C C 13 174.213 0.3 . 1 . . . . . 110 ALA C . 51470 1 1117 . 1 . 1 111 111 ALA CA C 13 50.193 0.3 . 1 . . . . . 110 ALA CA . 51470 1 1118 . 1 . 1 111 111 ALA CB C 13 22.399 0.3 . 1 . . . . . 110 ALA CB . 51470 1 1119 . 1 . 1 111 111 ALA N N 15 123.359 0.3 . 1 . . . . . 110 ALA N . 51470 1 1120 . 1 . 1 112 112 ALA H H 1 8.174 0.020 . 1 . . . . . 111 ALA H . 51470 1 1121 . 1 . 1 112 112 ALA HA H 1 5.624 0.020 . 1 . . . . . 111 ALA HA . 51470 1 1122 . 1 . 1 112 112 ALA HB1 H 1 1.680 0.020 . 1 . . . . . 111 ALA HB . 51470 1 1123 . 1 . 1 112 112 ALA HB2 H 1 1.680 0.020 . 1 . . . . . 111 ALA HB . 51470 1 1124 . 1 . 1 112 112 ALA HB3 H 1 1.680 0.020 . 1 . . . . . 111 ALA HB . 51470 1 1125 . 1 . 1 112 112 ALA C C 13 175.257 0.3 . 1 . . . . . 111 ALA C . 51470 1 1126 . 1 . 1 112 112 ALA CA C 13 50.367 0.3 . 1 . . . . . 111 ALA CA . 51470 1 1127 . 1 . 1 112 112 ALA CB C 13 21.090 0.3 . 1 . . . . . 111 ALA CB . 51470 1 1128 . 1 . 1 112 112 ALA N N 15 123.445 0.3 . 1 . . . . . 111 ALA N . 51470 1 1129 . 1 . 1 113 113 TYR H H 1 9.647 0.020 . 1 . . . . . 112 TYR H . 51470 1 1130 . 1 . 1 113 113 TYR HA H 1 4.957 0.020 . 1 . . . . . 112 TYR HA . 51470 1 1131 . 1 . 1 113 113 TYR HB2 H 1 3.634 0.020 . 2 . . . . . 112 TYR HB2 . 51470 1 1132 . 1 . 1 113 113 TYR HB3 H 1 2.967 0.020 . 2 . . . . . 112 TYR HB3 . 51470 1 1133 . 1 . 1 113 113 TYR C C 13 174.639 0.3 . 1 . . . . . 112 TYR C . 51470 1 1134 . 1 . 1 113 113 TYR CA C 13 57.295 0.3 . 1 . . . . . 112 TYR CA . 51470 1 1135 . 1 . 1 113 113 TYR CB C 13 41.742 0.3 . 1 . . . . . 112 TYR CB . 51470 1 1136 . 1 . 1 113 113 TYR N N 15 119.322 0.3 . 1 . . . . . 112 TYR N . 51470 1 1137 . 1 . 1 114 114 PRO HA H 1 5.352 0.020 . 1 . . . . . 113 PRO HA . 51470 1 1138 . 1 . 1 114 114 PRO HB2 H 1 2.128 0.020 . 2 . . . . . 113 PRO HB2 . 51470 1 1139 . 1 . 1 114 114 PRO HB3 H 1 1.993 0.020 . 2 . . . . . 113 PRO HB3 . 51470 1 1140 . 1 . 1 114 114 PRO HG2 H 1 1.586 0.020 . 2 . . . . . 113 PRO HG2 . 51470 1 1141 . 1 . 1 114 114 PRO HG3 H 1 2.055 0.020 . 2 . . . . . 113 PRO HG3 . 51470 1 1142 . 1 . 1 114 114 PRO HD2 H 1 4.266 0.020 . 1 . . . . . 113 PRO HD2 . 51470 1 1143 . 1 . 1 114 114 PRO HD3 H 1 4.266 0.020 . 1 . . . . . 113 PRO HD3 . 51470 1 1144 . 1 . 1 114 114 PRO C C 13 174.777 0.3 . 1 . . . . . 113 PRO C . 51470 1 1145 . 1 . 1 114 114 PRO CA C 13 61.155 0.3 . 1 . . . . . 113 PRO CA . 51470 1 1146 . 1 . 1 114 114 PRO CB C 13 32.139 0.3 . 1 . . . . . 113 PRO CB . 51470 1 1147 . 1 . 1 114 114 PRO CG C 13 25.193 0.3 . 1 . . . . . 113 PRO CG . 51470 1 1148 . 1 . 1 114 114 PRO CD C 13 49.119 0.3 . 1 . . . . . 113 PRO CD . 51470 1 1149 . 1 . 1 115 115 LEU H H 1 7.883 0.020 . 1 . . . . . 114 LEU H . 51470 1 1150 . 1 . 1 115 115 LEU HA H 1 4.551 0.020 . 1 . . . . . 114 LEU HA . 51470 1 1151 . 1 . 1 115 115 LEU HB2 H 1 1.448 0.020 . 2 . . . . . 114 LEU HB2 . 51470 1 1152 . 1 . 1 115 115 LEU HB3 H 1 1.622 0.020 . 2 . . . . . 114 LEU HB3 . 51470 1 1153 . 1 . 1 115 115 LEU HG H 1 0.948 0.020 . 1 . . . . . 114 LEU HG . 51470 1 1154 . 1 . 1 115 115 LEU HD11 H 1 0.952 0.020 . 1 . . . . . 114 LEU HD1 . 51470 1 1155 . 1 . 1 115 115 LEU HD12 H 1 0.952 0.020 . 1 . . . . . 114 LEU HD1 . 51470 1 1156 . 1 . 1 115 115 LEU HD13 H 1 0.952 0.020 . 1 . . . . . 114 LEU HD1 . 51470 1 1157 . 1 . 1 115 115 LEU HD21 H 1 0.943 0.020 . 1 . . . . . 114 LEU HD2 . 51470 1 1158 . 1 . 1 115 115 LEU HD22 H 1 0.943 0.020 . 1 . . . . . 114 LEU HD2 . 51470 1 1159 . 1 . 1 115 115 LEU HD23 H 1 0.943 0.020 . 1 . . . . . 114 LEU HD2 . 51470 1 1160 . 1 . 1 115 115 LEU C C 13 177.639 0.3 . 1 . . . . . 114 LEU C . 51470 1 1161 . 1 . 1 115 115 LEU CA C 13 53.812 0.3 . 1 . . . . . 114 LEU CA . 51470 1 1162 . 1 . 1 115 115 LEU CB C 13 41.674 0.3 . 1 . . . . . 114 LEU CB . 51470 1 1163 . 1 . 1 115 115 LEU CG C 13 25.918 0.3 . 1 . . . . . 114 LEU CG . 51470 1 1164 . 1 . 1 115 115 LEU CD1 C 13 25.377 0.3 . 1 . . . . . 114 LEU CD1 . 51470 1 1165 . 1 . 1 115 115 LEU CD2 C 13 25.429 0.3 . 1 . . . . . 114 LEU CD2 . 51470 1 1166 . 1 . 1 115 115 LEU N N 15 114.932 0.3 . 1 . . . . . 114 LEU N . 51470 1 1167 . 1 . 1 116 116 LEU H H 1 7.938 0.020 . 1 . . . . . 115 LEU H . 51470 1 1168 . 1 . 1 116 116 LEU HA H 1 3.969 0.020 . 1 . . . . . 115 LEU HA . 51470 1 1169 . 1 . 1 116 116 LEU HB2 H 1 0.802 0.020 . 2 . . . . . 115 LEU HB2 . 51470 1 1170 . 1 . 1 116 116 LEU HB3 H 1 1.435 0.020 . 2 . . . . . 115 LEU HB3 . 51470 1 1171 . 1 . 1 116 116 LEU HG H 1 1.542 0.020 . 1 . . . . . 115 LEU HG . 51470 1 1172 . 1 . 1 116 116 LEU HD11 H 1 -0.124 0.020 . 1 . . . . . 115 LEU HD1 . 51470 1 1173 . 1 . 1 116 116 LEU HD12 H 1 -0.124 0.020 . 1 . . . . . 115 LEU HD1 . 51470 1 1174 . 1 . 1 116 116 LEU HD13 H 1 -0.124 0.020 . 1 . . . . . 115 LEU HD1 . 51470 1 1175 . 1 . 1 116 116 LEU HD21 H 1 0.603 0.020 . 1 . . . . . 115 LEU HD2 . 51470 1 1176 . 1 . 1 116 116 LEU HD22 H 1 0.603 0.020 . 1 . . . . . 115 LEU HD2 . 51470 1 1177 . 1 . 1 116 116 LEU HD23 H 1 0.603 0.020 . 1 . . . . . 115 LEU HD2 . 51470 1 1178 . 1 . 1 116 116 LEU C C 13 178.028 0.3 . 1 . . . . . 115 LEU C . 51470 1 1179 . 1 . 1 116 116 LEU CA C 13 56.130 0.3 . 1 . . . . . 115 LEU CA . 51470 1 1180 . 1 . 1 116 116 LEU CB C 13 42.125 0.3 . 1 . . . . . 115 LEU CB . 51470 1 1181 . 1 . 1 116 116 LEU CG C 13 26.667 0.3 . 1 . . . . . 115 LEU CG . 51470 1 1182 . 1 . 1 116 116 LEU CD1 C 13 24.674 0.3 . 1 . . . . . 115 LEU CD1 . 51470 1 1183 . 1 . 1 116 116 LEU CD2 C 13 22.713 0.3 . 1 . . . . . 115 LEU CD2 . 51470 1 1184 . 1 . 1 116 116 LEU N N 15 127.720 0.3 . 1 . . . . . 115 LEU N . 51470 1 1185 . 1 . 1 117 117 GLY H H 1 9.026 0.020 . 1 . . . . . 116 GLY H . 51470 1 1186 . 1 . 1 117 117 GLY HA2 H 1 3.940 0.020 . 2 . . . . . 116 GLY HA2 . 51470 1 1187 . 1 . 1 117 117 GLY HA3 H 1 3.498 0.020 . 2 . . . . . 116 GLY HA3 . 51470 1 1188 . 1 . 1 117 117 GLY C C 13 172.876 0.3 . 1 . . . . . 116 GLY C . 51470 1 1189 . 1 . 1 117 117 GLY CA C 13 45.731 0.3 . 1 . . . . . 116 GLY CA . 51470 1 1190 . 1 . 1 117 117 GLY N N 15 110.221 0.3 . 1 . . . . . 116 GLY N . 51470 1 1191 . 1 . 1 118 118 THR H H 1 7.136 0.020 . 1 . . . . . 117 THR H . 51470 1 1192 . 1 . 1 118 118 THR HA H 1 4.580 0.020 . 1 . . . . . 117 THR HA . 51470 1 1193 . 1 . 1 118 118 THR HB H 1 4.307 0.020 . 1 . . . . . 117 THR HB . 51470 1 1194 . 1 . 1 118 118 THR HG21 H 1 1.129 0.020 . 1 . . . . . 117 THR HG2 . 51470 1 1195 . 1 . 1 118 118 THR HG22 H 1 1.129 0.020 . 1 . . . . . 117 THR HG2 . 51470 1 1196 . 1 . 1 118 118 THR HG23 H 1 1.129 0.020 . 1 . . . . . 117 THR HG2 . 51470 1 1197 . 1 . 1 118 118 THR C C 13 175.640 0.3 . 1 . . . . . 117 THR C . 51470 1 1198 . 1 . 1 118 118 THR CA C 13 61.652 0.3 . 1 . . . . . 117 THR CA . 51470 1 1199 . 1 . 1 118 118 THR CB C 13 70.180 0.3 . 1 . . . . . 117 THR CB . 51470 1 1200 . 1 . 1 118 118 THR CG2 C 13 21.890 0.3 . 1 . . . . . 117 THR CG2 . 51470 1 1201 . 1 . 1 118 118 THR N N 15 108.870 0.3 . 1 . . . . . 117 THR N . 51470 1 1202 . 1 . 1 119 119 GLY H H 1 8.735 0.020 . 1 . . . . . 118 GLY H . 51470 1 1203 . 1 . 1 119 119 GLY HA2 H 1 4.291 0.020 . 2 . . . . . 118 GLY HA2 . 51470 1 1204 . 1 . 1 119 119 GLY HA3 H 1 3.809 0.020 . 2 . . . . . 118 GLY HA3 . 51470 1 1205 . 1 . 1 119 119 GLY C C 13 176.294 0.3 . 1 . . . . . 118 GLY C . 51470 1 1206 . 1 . 1 119 119 GLY CA C 13 45.317 0.3 . 1 . . . . . 118 GLY CA . 51470 1 1207 . 1 . 1 119 119 GLY N N 15 111.402 0.3 . 1 . . . . . 118 GLY N . 51470 1 1208 . 1 . 1 120 120 ILE H H 1 8.643 0.020 . 1 . . . . . 119 ILE H . 51470 1 1209 . 1 . 1 120 120 ILE HA H 1 3.905 0.020 . 1 . . . . . 119 ILE HA . 51470 1 1210 . 1 . 1 120 120 ILE HB H 1 1.731 0.020 . 1 . . . . . 119 ILE HB . 51470 1 1211 . 1 . 1 120 120 ILE HG12 H 1 1.285 0.020 . 2 . . . . . 119 ILE HG12 . 51470 1 1212 . 1 . 1 120 120 ILE HG13 H 1 1.115 0.020 . 2 . . . . . 119 ILE HG13 . 51470 1 1213 . 1 . 1 120 120 ILE HG21 H 1 0.754 0.020 . 1 . . . . . 119 ILE HG2 . 51470 1 1214 . 1 . 1 120 120 ILE HG22 H 1 0.754 0.020 . 1 . . . . . 119 ILE HG2 . 51470 1 1215 . 1 . 1 120 120 ILE HG23 H 1 0.754 0.020 . 1 . . . . . 119 ILE HG2 . 51470 1 1216 . 1 . 1 120 120 ILE HD11 H 1 0.824 0.020 . 1 . . . . . 119 ILE HD1 . 51470 1 1217 . 1 . 1 120 120 ILE HD12 H 1 0.824 0.020 . 1 . . . . . 119 ILE HD1 . 51470 1 1218 . 1 . 1 120 120 ILE HD13 H 1 0.824 0.020 . 1 . . . . . 119 ILE HD1 . 51470 1 1219 . 1 . 1 120 120 ILE C C 13 176.225 0.3 . 1 . . . . . 119 ILE C . 51470 1 1220 . 1 . 1 120 120 ILE CA C 13 64.165 0.3 . 1 . . . . . 119 ILE CA . 51470 1 1221 . 1 . 1 120 120 ILE CB C 13 38.189 0.3 . 1 . . . . . 119 ILE CB . 51470 1 1222 . 1 . 1 120 120 ILE CG1 C 13 27.681 0.3 . 1 . . . . . 119 ILE CG1 . 51470 1 1223 . 1 . 1 120 120 ILE CG2 C 13 17.007 0.3 . 1 . . . . . 119 ILE CG2 . 51470 1 1224 . 1 . 1 120 120 ILE CD1 C 13 13.232 0.3 . 1 . . . . . 119 ILE CD1 . 51470 1 1225 . 1 . 1 120 120 ILE N N 15 127.887 0.3 . 1 . . . . . 119 ILE N . 51470 1 1226 . 1 . 1 121 121 TYR H H 1 7.218 0.020 . 1 . . . . . 120 TYR H . 51470 1 1227 . 1 . 1 121 121 TYR HA H 1 4.598 0.020 . 1 . . . . . 120 TYR HA . 51470 1 1228 . 1 . 1 121 121 TYR HB2 H 1 3.821 0.020 . 2 . . . . . 120 TYR HB2 . 51470 1 1229 . 1 . 1 121 121 TYR HB3 H 1 3.162 0.020 . 2 . . . . . 120 TYR HB3 . 51470 1 1230 . 1 . 1 121 121 TYR C C 13 175.181 0.3 . 1 . . . . . 120 TYR C . 51470 1 1231 . 1 . 1 121 121 TYR CA C 13 57.622 0.3 . 1 . . . . . 120 TYR CA . 51470 1 1232 . 1 . 1 121 121 TYR CB C 13 36.854 0.3 . 1 . . . . . 120 TYR CB . 51470 1 1233 . 1 . 1 121 121 TYR N N 15 117.314 0.3 . 1 . . . . . 120 TYR N . 51470 1 1234 . 1 . 1 122 122 GLN H H 1 7.867 0.020 . 1 . . . . . 121 GLN H . 51470 1 1235 . 1 . 1 122 122 GLN HA H 1 3.747 0.020 . 1 . . . . . 121 GLN HA . 51470 1 1236 . 1 . 1 122 122 GLN HB2 H 1 2.336 0.020 . 2 . . . . . 121 GLN HB2 . 51470 1 1237 . 1 . 1 122 122 GLN HB3 H 1 2.050 0.020 . 2 . . . . . 121 GLN HB3 . 51470 1 1238 . 1 . 1 122 122 GLN HG2 H 1 2.422 0.020 . 2 . . . . . 121 GLN HG2 . 51470 1 1239 . 1 . 1 122 122 GLN HG3 H 1 2.342 0.020 . 2 . . . . . 121 GLN HG3 . 51470 1 1240 . 1 . 1 122 122 GLN C C 13 175.031 0.3 . 1 . . . . . 121 GLN C . 51470 1 1241 . 1 . 1 122 122 GLN CA C 13 57.082 0.3 . 1 . . . . . 121 GLN CA . 51470 1 1242 . 1 . 1 122 122 GLN CB C 13 26.042 0.3 . 1 . . . . . 121 GLN CB . 51470 1 1243 . 1 . 1 122 122 GLN CG C 13 34.410 0.3 . 1 . . . . . 121 GLN CG . 51470 1 1244 . 1 . 1 122 122 GLN N N 15 108.107 0.3 . 1 . . . . . 121 GLN N . 51470 1 1245 . 1 . 1 123 123 VAL H H 1 8.139 0.020 . 1 . . . . . 122 VAL H . 51470 1 1246 . 1 . 1 123 123 VAL HA H 1 3.606 0.020 . 1 . . . . . 122 VAL HA . 51470 1 1247 . 1 . 1 123 123 VAL HB H 1 1.421 0.020 . 1 . . . . . 122 VAL HB . 51470 1 1248 . 1 . 1 123 123 VAL HG11 H 1 0.385 0.020 . 1 . . . . . 122 VAL HG1 . 51470 1 1249 . 1 . 1 123 123 VAL HG12 H 1 0.385 0.020 . 1 . . . . . 122 VAL HG1 . 51470 1 1250 . 1 . 1 123 123 VAL HG13 H 1 0.385 0.020 . 1 . . . . . 122 VAL HG1 . 51470 1 1251 . 1 . 1 123 123 VAL HG21 H 1 0.722 0.020 . 1 . . . . . 122 VAL HG2 . 51470 1 1252 . 1 . 1 123 123 VAL HG22 H 1 0.722 0.020 . 1 . . . . . 122 VAL HG2 . 51470 1 1253 . 1 . 1 123 123 VAL HG23 H 1 0.722 0.020 . 1 . . . . . 122 VAL HG2 . 51470 1 1254 . 1 . 1 123 123 VAL C C 13 174.808 0.3 . 1 . . . . . 122 VAL C . 51470 1 1255 . 1 . 1 123 123 VAL CA C 13 60.976 0.3 . 1 . . . . . 122 VAL CA . 51470 1 1256 . 1 . 1 123 123 VAL CB C 13 31.376 0.3 . 1 . . . . . 122 VAL CB . 51470 1 1257 . 1 . 1 123 123 VAL CG1 C 13 21.979 0.3 . 1 . . . . . 122 VAL CG1 . 51470 1 1258 . 1 . 1 123 123 VAL CG2 C 13 21.260 0.3 . 1 . . . . . 122 VAL CG2 . 51470 1 1259 . 1 . 1 123 123 VAL N N 15 123.055 0.3 . 1 . . . . . 122 VAL N . 51470 1 1260 . 1 . 1 124 124 PRO HA H 1 4.385 0.020 . 1 . . . . . 123 PRO HA . 51470 1 1261 . 1 . 1 124 124 PRO HB2 H 1 1.797 0.020 . 2 . . . . . 123 PRO HB2 . 51470 1 1262 . 1 . 1 124 124 PRO HB3 H 1 1.809 0.020 . 2 . . . . . 123 PRO HB3 . 51470 1 1263 . 1 . 1 124 124 PRO HG2 H 1 2.036 0.020 . 2 . . . . . 123 PRO HG2 . 51470 1 1264 . 1 . 1 124 124 PRO HG3 H 1 2.010 0.020 . 2 . . . . . 123 PRO HG3 . 51470 1 1265 . 1 . 1 124 124 PRO HD2 H 1 4.091 0.020 . 2 . . . . . 123 PRO HD2 . 51470 1 1266 . 1 . 1 124 124 PRO HD3 H 1 3.272 0.020 . 2 . . . . . 123 PRO HD3 . 51470 1 1267 . 1 . 1 124 124 PRO C C 13 175.549 0.3 . 1 . . . . . 123 PRO C . 51470 1 1268 . 1 . 1 124 124 PRO CA C 13 62.074 0.3 . 1 . . . . . 123 PRO CA . 51470 1 1269 . 1 . 1 124 124 PRO CB C 13 31.043 0.3 . 1 . . . . . 123 PRO CB . 51470 1 1270 . 1 . 1 124 124 PRO CG C 13 27.618 0.3 . 1 . . . . . 123 PRO CG . 51470 1 1271 . 1 . 1 124 124 PRO CD C 13 51.203 0.3 . 1 . . . . . 123 PRO CD . 51470 1 1272 . 1 . 1 125 125 ILE H H 1 7.865 0.020 . 1 . . . . . 124 ILE H . 51470 1 1273 . 1 . 1 125 125 ILE HA H 1 3.227 0.020 . 1 . . . . . 124 ILE HA . 51470 1 1274 . 1 . 1 125 125 ILE HB H 1 0.932 0.020 . 1 . . . . . 124 ILE HB . 51470 1 1275 . 1 . 1 125 125 ILE HG12 H 1 1.403 0.020 . 2 . . . . . 124 ILE HG12 . 51470 1 1276 . 1 . 1 125 125 ILE HG13 H 1 0.642 0.020 . 2 . . . . . 124 ILE HG13 . 51470 1 1277 . 1 . 1 125 125 ILE HG21 H 1 0.028 0.020 . 1 . . . . . 124 ILE HG2 . 51470 1 1278 . 1 . 1 125 125 ILE HG22 H 1 0.028 0.020 . 1 . . . . . 124 ILE HG2 . 51470 1 1279 . 1 . 1 125 125 ILE HG23 H 1 0.028 0.020 . 1 . . . . . 124 ILE HG2 . 51470 1 1280 . 1 . 1 125 125 ILE HD11 H 1 0.637 0.020 . 1 . . . . . 124 ILE HD1 . 51470 1 1281 . 1 . 1 125 125 ILE HD12 H 1 0.637 0.020 . 1 . . . . . 124 ILE HD1 . 51470 1 1282 . 1 . 1 125 125 ILE HD13 H 1 0.637 0.020 . 1 . . . . . 124 ILE HD1 . 51470 1 1283 . 1 . 1 125 125 ILE C C 13 176.583 0.3 . 1 . . . . . 124 ILE C . 51470 1 1284 . 1 . 1 125 125 ILE CA C 13 65.547 0.3 . 1 . . . . . 124 ILE CA . 51470 1 1285 . 1 . 1 125 125 ILE CB C 13 38.536 0.3 . 1 . . . . . 124 ILE CB . 51470 1 1286 . 1 . 1 125 125 ILE CG1 C 13 28.764 0.3 . 1 . . . . . 124 ILE CG1 . 51470 1 1287 . 1 . 1 125 125 ILE CG2 C 13 16.114 0.3 . 1 . . . . . 124 ILE CG2 . 51470 1 1288 . 1 . 1 125 125 ILE CD1 C 13 13.603 0.3 . 1 . . . . . 124 ILE CD1 . 51470 1 1289 . 1 . 1 125 125 ILE N N 15 119.182 0.3 . 1 . . . . . 124 ILE N . 51470 1 1290 . 1 . 1 126 126 GLY H H 1 8.155 0.020 . 1 . . . . . 125 GLY H . 51470 1 1291 . 1 . 1 126 126 GLY HA2 H 1 3.803 0.020 . 2 . . . . . 125 GLY HA2 . 51470 1 1292 . 1 . 1 126 126 GLY HA3 H 1 3.515 0.020 . 2 . . . . . 125 GLY HA3 . 51470 1 1293 . 1 . 1 126 126 GLY C C 13 174.721 0.3 . 1 . . . . . 125 GLY C . 51470 1 1294 . 1 . 1 126 126 GLY CA C 13 48.500 0.3 . 1 . . . . . 125 GLY CA . 51470 1 1295 . 1 . 1 126 126 GLY N N 15 104.714 0.3 . 1 . . . . . 125 GLY N . 51470 1 1296 . 1 . 1 127 127 PRO HA H 1 4.326 0.020 . 1 . . . . . 126 PRO HA . 51470 1 1297 . 1 . 1 127 127 PRO HB2 H 1 2.422 0.020 . 2 . . . . . 126 PRO HB2 . 51470 1 1298 . 1 . 1 127 127 PRO HB3 H 1 1.531 0.020 . 2 . . . . . 126 PRO HB3 . 51470 1 1299 . 1 . 1 127 127 PRO HG2 H 1 2.027 0.020 . 2 . . . . . 126 PRO HG2 . 51470 1 1300 . 1 . 1 127 127 PRO HG3 H 1 2.006 0.020 . 2 . . . . . 126 PRO HG3 . 51470 1 1301 . 1 . 1 127 127 PRO HD2 H 1 3.498 0.020 . 2 . . . . . 126 PRO HD2 . 51470 1 1302 . 1 . 1 127 127 PRO HD3 H 1 3.509 0.020 . 2 . . . . . 126 PRO HD3 . 51470 1 1303 . 1 . 1 127 127 PRO C C 13 179.420 0.3 . 1 . . . . . 126 PRO C . 51470 1 1304 . 1 . 1 127 127 PRO CA C 13 64.801 0.3 . 1 . . . . . 126 PRO CA . 51470 1 1305 . 1 . 1 127 127 PRO CB C 13 31.949 0.3 . 1 . . . . . 126 PRO CB . 51470 1 1306 . 1 . 1 127 127 PRO CG C 13 27.675 0.3 . 1 . . . . . 126 PRO CG . 51470 1 1307 . 1 . 1 127 127 PRO CD C 13 50.355 0.3 . 1 . . . . . 126 PRO CD . 51470 1 1308 . 1 . 1 128 128 SER H H 1 7.292 0.020 . 1 . . . . . 127 SER H . 51470 1 1309 . 1 . 1 128 128 SER HA H 1 4.215 0.020 . 1 . . . . . 127 SER HA . 51470 1 1310 . 1 . 1 128 128 SER HB2 H 1 3.892 0.020 . 1 . . . . . 127 SER HB2 . 51470 1 1311 . 1 . 1 128 128 SER HB3 H 1 3.892 0.020 . 1 . . . . . 127 SER HB3 . 51470 1 1312 . 1 . 1 128 128 SER C C 13 176.224 0.3 . 1 . . . . . 127 SER C . 51470 1 1313 . 1 . 1 128 128 SER CA C 13 62.257 0.3 . 1 . . . . . 127 SER CA . 51470 1 1314 . 1 . 1 128 128 SER CB C 13 63.751 0.3 . 1 . . . . . 127 SER CB . 51470 1 1315 . 1 . 1 128 128 SER N N 15 110.880 0.3 . 1 . . . . . 127 SER N . 51470 1 1316 . 1 . 1 129 129 PHE H H 1 8.917 0.020 . 1 . . . . . 128 PHE H . 51470 1 1317 . 1 . 1 129 129 PHE HA H 1 3.822 0.020 . 1 . . . . . 128 PHE HA . 51470 1 1318 . 1 . 1 129 129 PHE HB2 H 1 3.479 0.020 . 2 . . . . . 128 PHE HB2 . 51470 1 1319 . 1 . 1 129 129 PHE HB3 H 1 2.925 0.020 . 2 . . . . . 128 PHE HB3 . 51470 1 1320 . 1 . 1 129 129 PHE C C 13 177.086 0.3 . 1 . . . . . 128 PHE C . 51470 1 1321 . 1 . 1 129 129 PHE CA C 13 62.817 0.3 . 1 . . . . . 128 PHE CA . 51470 1 1322 . 1 . 1 129 129 PHE CB C 13 39.619 0.3 . 1 . . . . . 128 PHE CB . 51470 1 1323 . 1 . 1 129 129 PHE N N 15 121.446 0.3 . 1 . . . . . 128 PHE N . 51470 1 1324 . 1 . 1 130 130 ASP H H 1 9.089 0.020 . 1 . . . . . 129 ASP H . 51470 1 1325 . 1 . 1 130 130 ASP HA H 1 4.213 0.020 . 1 . . . . . 129 ASP HA . 51470 1 1326 . 1 . 1 130 130 ASP HB2 H 1 2.777 0.020 . 2 . . . . . 129 ASP HB2 . 51470 1 1327 . 1 . 1 130 130 ASP HB3 H 1 2.693 0.020 . 2 . . . . . 129 ASP HB3 . 51470 1 1328 . 1 . 1 130 130 ASP C C 13 178.061 0.3 . 1 . . . . . 129 ASP C . 51470 1 1329 . 1 . 1 130 130 ASP CA C 13 56.935 0.3 . 1 . . . . . 129 ASP CA . 51470 1 1330 . 1 . 1 130 130 ASP CB C 13 40.819 0.3 . 1 . . . . . 129 ASP CB . 51470 1 1331 . 1 . 1 130 130 ASP N N 15 120.138 0.3 . 1 . . . . . 129 ASP N . 51470 1 1332 . 1 . 1 131 131 ALA H H 1 7.724 0.020 . 1 . . . . . 130 ALA H . 51470 1 1333 . 1 . 1 131 131 ALA HA H 1 3.947 0.020 . 1 . . . . . 130 ALA HA . 51470 1 1334 . 1 . 1 131 131 ALA HB1 H 1 1.416 0.020 . 1 . . . . . 130 ALA HB . 51470 1 1335 . 1 . 1 131 131 ALA HB2 H 1 1.416 0.020 . 1 . . . . . 130 ALA HB . 51470 1 1336 . 1 . 1 131 131 ALA HB3 H 1 1.416 0.020 . 1 . . . . . 130 ALA HB . 51470 1 1337 . 1 . 1 131 131 ALA C C 13 179.417 0.3 . 1 . . . . . 130 ALA C . 51470 1 1338 . 1 . 1 131 131 ALA CA C 13 54.860 0.3 . 1 . . . . . 130 ALA CA . 51470 1 1339 . 1 . 1 131 131 ALA CB C 13 18.628 0.3 . 1 . . . . . 130 ALA CB . 51470 1 1340 . 1 . 1 131 131 ALA N N 15 120.351 0.3 . 1 . . . . . 130 ALA N . 51470 1 1341 . 1 . 1 132 132 TRP H H 1 7.585 0.020 . 1 . . . . . 131 TRP H . 51470 1 1342 . 1 . 1 132 132 TRP HA H 1 2.667 0.020 . 1 . . . . . 131 TRP HA . 51470 1 1343 . 1 . 1 132 132 TRP HB2 H 1 2.925 0.020 . 2 . . . . . 131 TRP HB2 . 51470 1 1344 . 1 . 1 132 132 TRP HB3 H 1 2.606 0.020 . 2 . . . . . 131 TRP HB3 . 51470 1 1345 . 1 . 1 132 132 TRP C C 13 179.849 0.3 . 1 . . . . . 131 TRP C . 51470 1 1346 . 1 . 1 132 132 TRP CA C 13 61.769 0.3 . 1 . . . . . 131 TRP CA . 51470 1 1347 . 1 . 1 132 132 TRP CB C 13 25.776 0.3 . 1 . . . . . 131 TRP CB . 51470 1 1348 . 1 . 1 132 132 TRP N N 15 121.540 0.3 . 1 . . . . . 131 TRP N . 51470 1 1349 . 1 . 1 133 133 GLU H H 1 8.978 0.020 . 1 . . . . . 132 GLU H . 51470 1 1350 . 1 . 1 133 133 GLU HA H 1 2.654 0.020 . 1 . . . . . 132 GLU HA . 51470 1 1351 . 1 . 1 133 133 GLU HB2 H 1 2.042 0.020 . 2 . . . . . 132 GLU HB2 . 51470 1 1352 . 1 . 1 133 133 GLU HB3 H 1 1.782 0.020 . 2 . . . . . 132 GLU HB3 . 51470 1 1353 . 1 . 1 133 133 GLU HG2 H 1 2.069 0.020 . 2 . . . . . 132 GLU HG2 . 51470 1 1354 . 1 . 1 133 133 GLU HG3 H 1 2.028 0.020 . 2 . . . . . 132 GLU HG3 . 51470 1 1355 . 1 . 1 133 133 GLU C C 13 177.471 0.3 . 1 . . . . . 132 GLU C . 51470 1 1356 . 1 . 1 133 133 GLU CA C 13 60.647 0.3 . 1 . . . . . 132 GLU CA . 51470 1 1357 . 1 . 1 133 133 GLU CB C 13 29.514 0.3 . 1 . . . . . 132 GLU CB . 51470 1 1358 . 1 . 1 133 133 GLU CG C 13 37.001 0.3 . 1 . . . . . 132 GLU CG . 51470 1 1359 . 1 . 1 133 133 GLU N N 15 122.913 0.3 . 1 . . . . . 132 GLU N . 51470 1 1360 . 1 . 1 134 134 ARG H H 1 7.272 0.020 . 1 . . . . . 133 ARG H . 51470 1 1361 . 1 . 1 134 134 ARG HA H 1 3.927 0.020 . 1 . . . . . 133 ARG HA . 51470 1 1362 . 1 . 1 134 134 ARG HB2 H 1 1.585 0.020 . 2 . . . . . 133 ARG HB2 . 51470 1 1363 . 1 . 1 134 134 ARG HB3 H 1 1.729 0.020 . 2 . . . . . 133 ARG HB3 . 51470 1 1364 . 1 . 1 134 134 ARG HG2 H 1 1.476 0.020 . 2 . . . . . 133 ARG HG2 . 51470 1 1365 . 1 . 1 134 134 ARG HG3 H 1 1.734 0.020 . 2 . . . . . 133 ARG HG3 . 51470 1 1366 . 1 . 1 134 134 ARG HD2 H 1 3.009 0.020 . 2 . . . . . 133 ARG HD2 . 51470 1 1367 . 1 . 1 134 134 ARG HD3 H 1 3.220 0.020 . 2 . . . . . 133 ARG HD3 . 51470 1 1368 . 1 . 1 134 134 ARG C C 13 176.219 0.3 . 1 . . . . . 133 ARG C . 51470 1 1369 . 1 . 1 134 134 ARG CA C 13 57.247 0.3 . 1 . . . . . 133 ARG CA . 51470 1 1370 . 1 . 1 134 134 ARG CB C 13 32.841 0.3 . 1 . . . . . 133 ARG CB . 51470 1 1371 . 1 . 1 134 134 ARG CG C 13 28.882 0.3 . 1 . . . . . 133 ARG CG . 51470 1 1372 . 1 . 1 134 134 ARG CD C 13 42.315 0.3 . 1 . . . . . 133 ARG CD . 51470 1 1373 . 1 . 1 134 134 ARG N N 15 113.879 0.3 . 1 . . . . . 133 ARG N . 51470 1 1374 . 1 . 1 135 135 ASN H H 1 7.075 0.020 . 1 . . . . . 134 ASN H . 51470 1 1375 . 1 . 1 135 135 ASN HA H 1 4.691 0.020 . 1 . . . . . 134 ASN HA . 51470 1 1376 . 1 . 1 135 135 ASN HB2 H 1 2.641 0.020 . 2 . . . . . 134 ASN HB2 . 51470 1 1377 . 1 . 1 135 135 ASN HB3 H 1 1.839 0.020 . 2 . . . . . 134 ASN HB3 . 51470 1 1378 . 1 . 1 135 135 ASN C C 13 187.551 0.3 . 1 . . . . . 134 ASN C . 51470 1 1379 . 1 . 1 135 135 ASN CA C 13 52.364 0.3 . 1 . . . . . 134 ASN CA . 51470 1 1380 . 1 . 1 135 135 ASN CB C 13 42.231 0.3 . 1 . . . . . 134 ASN CB . 51470 1 1381 . 1 . 1 135 135 ASN N N 15 119.181 0.3 . 1 . . . . . 134 ASN N . 51470 1 1382 . 1 . 1 136 136 HIS H H 1 6.730 0.020 . 1 . . . . . 135 HIS H . 51470 1 1383 . 1 . 1 136 136 HIS HA H 1 4.677 0.020 . 1 . . . . . 135 HIS HA . 51470 1 1384 . 1 . 1 136 136 HIS HB2 H 1 3.674 0.020 . 1 . . . . . 135 HIS HB2 . 51470 1 1385 . 1 . 1 136 136 HIS HB3 H 1 3.674 0.020 . 1 . . . . . 135 HIS HB3 . 51470 1 1386 . 1 . 1 136 136 HIS C C 13 172.884 0.3 . 1 . . . . . 135 HIS C . 51470 1 1387 . 1 . 1 136 136 HIS CA C 13 55.797 0.3 . 1 . . . . . 135 HIS CA . 51470 1 1388 . 1 . 1 136 136 HIS CB C 13 27.971 0.3 . 1 . . . . . 135 HIS CB . 51470 1 1389 . 1 . 1 136 136 HIS N N 15 109.840 0.3 . 1 . . . . . 135 HIS N . 51470 1 1390 . 1 . 1 137 137 ARG H H 1 9.706 0.020 . 1 . . . . . 136 ARG H . 51470 1 1391 . 1 . 1 137 137 ARG HA H 1 4.688 0.020 . 1 . . . . . 136 ARG HA . 51470 1 1392 . 1 . 1 137 137 ARG HB2 H 1 2.035 0.020 . 1 . . . . . 136 ARG HB2 . 51470 1 1393 . 1 . 1 137 137 ARG HB3 H 1 2.035 0.020 . 1 . . . . . 136 ARG HB3 . 51470 1 1394 . 1 . 1 137 137 ARG HG2 H 1 1.729 0.020 . 1 . . . . . 136 ARG HG2 . 51470 1 1395 . 1 . 1 137 137 ARG HG3 H 1 1.729 0.020 . 1 . . . . . 136 ARG HG3 . 51470 1 1396 . 1 . 1 137 137 ARG HD2 H 1 3.227 0.020 . 2 . . . . . 136 ARG HD2 . 51470 1 1397 . 1 . 1 137 137 ARG HD3 H 1 3.434 0.020 . 2 . . . . . 136 ARG HD3 . 51470 1 1398 . 1 . 1 137 137 ARG C C 13 173.518 0.3 . 1 . . . . . 136 ARG C . 51470 1 1399 . 1 . 1 137 137 ARG CA C 13 52.583 0.3 . 1 . . . . . 136 ARG CA . 51470 1 1400 . 1 . 1 137 137 ARG CB C 13 29.625 0.3 . 1 . . . . . 136 ARG CB . 51470 1 1401 . 1 . 1 137 137 ARG CG C 13 27.175 0.3 . 1 . . . . . 136 ARG CG . 51470 1 1402 . 1 . 1 137 137 ARG CD C 13 42.291 0.3 . 1 . . . . . 136 ARG CD . 51470 1 1403 . 1 . 1 137 137 ARG N N 15 122.439 0.3 . 1 . . . . . 136 ARG N . 51470 1 1404 . 1 . 1 138 138 PRO HA H 1 4.010 0.020 . 1 . . . . . 137 PRO HA . 51470 1 1405 . 1 . 1 138 138 PRO HB2 H 1 1.537 0.020 . 1 . . . . . 137 PRO HB2 . 51470 1 1406 . 1 . 1 138 138 PRO HB3 H 1 1.537 0.020 . 1 . . . . . 137 PRO HB3 . 51470 1 1407 . 1 . 1 138 138 PRO HG2 H 1 2.151 0.020 . 1 . . . . . 137 PRO HG2 . 51470 1 1408 . 1 . 1 138 138 PRO HG3 H 1 2.151 0.020 . 1 . . . . . 137 PRO HG3 . 51470 1 1409 . 1 . 1 138 138 PRO HD2 H 1 3.760 0.020 . 1 . . . . . 137 PRO HD2 . 51470 1 1410 . 1 . 1 138 138 PRO HD3 H 1 3.760 0.020 . 1 . . . . . 137 PRO HD3 . 51470 1 1411 . 1 . 1 138 138 PRO C C 13 178.084 0.3 . 1 . . . . . 137 PRO C . 51470 1 1412 . 1 . 1 138 138 PRO CA C 13 64.744 0.3 . 1 . . . . . 137 PRO CA . 51470 1 1413 . 1 . 1 138 138 PRO CB C 13 32.204 0.3 . 1 . . . . . 137 PRO CB . 51470 1 1414 . 1 . 1 138 138 PRO CG C 13 27.243 0.3 . 1 . . . . . 137 PRO CG . 51470 1 1415 . 1 . 1 138 138 PRO CD C 13 50.715 0.3 . 1 . . . . . 137 PRO CD . 51470 1 1416 . 1 . 1 139 139 GLY H H 1 7.552 0.020 . 1 . . . . . 138 GLY H . 51470 1 1417 . 1 . 1 139 139 GLY HA2 H 1 4.426 0.020 . 2 . . . . . 138 GLY HA2 . 51470 1 1418 . 1 . 1 139 139 GLY HA3 H 1 3.432 0.020 . 2 . . . . . 138 GLY HA3 . 51470 1 1419 . 1 . 1 139 139 GLY C C 13 172.997 0.3 . 1 . . . . . 138 GLY C . 51470 1 1420 . 1 . 1 139 139 GLY CA C 13 45.183 0.3 . 1 . . . . . 138 GLY CA . 51470 1 1421 . 1 . 1 139 139 GLY N N 15 112.824 0.3 . 1 . . . . . 138 GLY N . 51470 1 1422 . 1 . 1 140 140 ASP H H 1 8.227 0.020 . 1 . . . . . 139 ASP H . 51470 1 1423 . 1 . 1 140 140 ASP HA H 1 5.205 0.020 . 1 . . . . . 139 ASP HA . 51470 1 1424 . 1 . 1 140 140 ASP HB2 H 1 3.001 0.020 . 2 . . . . . 139 ASP HB2 . 51470 1 1425 . 1 . 1 140 140 ASP HB3 H 1 3.602 0.020 . 2 . . . . . 139 ASP HB3 . 51470 1 1426 . 1 . 1 140 140 ASP C C 13 174.833 0.3 . 1 . . . . . 139 ASP C . 51470 1 1427 . 1 . 1 140 140 ASP CA C 13 55.227 0.3 . 1 . . . . . 139 ASP CA . 51470 1 1428 . 1 . 1 140 140 ASP CB C 13 43.068 0.3 . 1 . . . . . 139 ASP CB . 51470 1 1429 . 1 . 1 140 140 ASP N N 15 121.445 0.3 . 1 . . . . . 139 ASP N . 51470 1 1430 . 1 . 1 141 141 GLU H H 1 9.148 0.020 . 1 . . . . . 140 GLU H . 51470 1 1431 . 1 . 1 141 141 GLU HA H 1 5.812 0.020 . 1 . . . . . 140 GLU HA . 51470 1 1432 . 1 . 1 141 141 GLU HB2 H 1 2.434 0.020 . 1 . . . . . 140 GLU HB2 . 51470 1 1433 . 1 . 1 141 141 GLU HB3 H 1 2.434 0.020 . 1 . . . . . 140 GLU HB3 . 51470 1 1434 . 1 . 1 141 141 GLU HG2 H 1 2.476 0.020 . 1 . . . . . 140 GLU HG2 . 51470 1 1435 . 1 . 1 141 141 GLU HG3 H 1 2.476 0.020 . 1 . . . . . 140 GLU HG3 . 51470 1 1436 . 1 . 1 141 141 GLU C C 13 174.939 0.3 . 1 . . . . . 140 GLU C . 51470 1 1437 . 1 . 1 141 141 GLU CA C 13 53.602 0.3 . 1 . . . . . 140 GLU CA . 51470 1 1438 . 1 . 1 141 141 GLU CB C 13 36.140 0.3 . 1 . . . . . 140 GLU CB . 51470 1 1439 . 1 . 1 141 141 GLU CG C 13 37.824 0.3 . 1 . . . . . 140 GLU CG . 51470 1 1440 . 1 . 1 141 141 GLU N N 15 115.471 0.3 . 1 . . . . . 140 GLU N . 51470 1 1441 . 1 . 1 142 142 LEU H H 1 8.618 0.020 . 1 . . . . . 141 LEU H . 51470 1 1442 . 1 . 1 142 142 LEU HA H 1 4.935 0.020 . 1 . . . . . 141 LEU HA . 51470 1 1443 . 1 . 1 142 142 LEU HB2 H 1 0.649 0.020 . 2 . . . . . 141 LEU HB2 . 51470 1 1444 . 1 . 1 142 142 LEU HB3 H 1 -0.859 0.020 . 2 . . . . . 141 LEU HB3 . 51470 1 1445 . 1 . 1 142 142 LEU HG H 1 0.159 0.020 . 1 . . . . . 141 LEU HG . 51470 1 1446 . 1 . 1 142 142 LEU HD11 H 1 0.144 0.020 . 1 . . . . . 141 LEU HD1 . 51470 1 1447 . 1 . 1 142 142 LEU HD12 H 1 0.144 0.020 . 1 . . . . . 141 LEU HD1 . 51470 1 1448 . 1 . 1 142 142 LEU HD13 H 1 0.144 0.020 . 1 . . . . . 141 LEU HD1 . 51470 1 1449 . 1 . 1 142 142 LEU HD21 H 1 0.093 0.020 . 1 . . . . . 141 LEU HD2 . 51470 1 1450 . 1 . 1 142 142 LEU HD22 H 1 0.093 0.020 . 1 . . . . . 141 LEU HD2 . 51470 1 1451 . 1 . 1 142 142 LEU HD23 H 1 0.093 0.020 . 1 . . . . . 141 LEU HD2 . 51470 1 1452 . 1 . 1 142 142 LEU C C 13 173.774 0.3 . 1 . . . . . 141 LEU C . 51470 1 1453 . 1 . 1 142 142 LEU CA C 13 53.424 0.3 . 1 . . . . . 141 LEU CA . 51470 1 1454 . 1 . 1 142 142 LEU CB C 13 43.545 0.3 . 1 . . . . . 141 LEU CB . 51470 1 1455 . 1 . 1 142 142 LEU CG C 13 26.975 0.3 . 1 . . . . . 141 LEU CG . 51470 1 1456 . 1 . 1 142 142 LEU CD1 C 13 22.266 0.3 . 1 . . . . . 141 LEU CD1 . 51470 1 1457 . 1 . 1 142 142 LEU CD2 C 13 21.346 0.3 . 1 . . . . . 141 LEU CD2 . 51470 1 1458 . 1 . 1 142 142 LEU N N 15 124.894 0.3 . 1 . . . . . 141 LEU N . 51470 1 1459 . 1 . 1 143 143 TYR H H 1 9.252 0.020 . 1 . . . . . 142 TYR H . 51470 1 1460 . 1 . 1 143 143 TYR HA H 1 4.587 0.020 . 1 . . . . . 142 TYR HA . 51470 1 1461 . 1 . 1 143 143 TYR HB2 H 1 2.684 0.020 . 1 . . . . . 142 TYR HB2 . 51470 1 1462 . 1 . 1 143 143 TYR HB3 H 1 2.684 0.020 . 1 . . . . . 142 TYR HB3 . 51470 1 1463 . 1 . 1 143 143 TYR C C 13 175.275 0.3 . 1 . . . . . 142 TYR C . 51470 1 1464 . 1 . 1 143 143 TYR CA C 13 57.606 0.3 . 1 . . . . . 142 TYR CA . 51470 1 1465 . 1 . 1 143 143 TYR CB C 13 39.289 0.3 . 1 . . . . . 142 TYR CB . 51470 1 1466 . 1 . 1 143 143 TYR N N 15 125.570 0.3 . 1 . . . . . 142 TYR N . 51470 1 1467 . 1 . 1 144 144 LEU H H 1 9.124 0.020 . 1 . . . . . 143 LEU H . 51470 1 1468 . 1 . 1 144 144 LEU HA H 1 4.996 0.020 . 1 . . . . . 143 LEU HA . 51470 1 1469 . 1 . 1 144 144 LEU HB2 H 1 1.770 0.020 . 2 . . . . . 143 LEU HB2 . 51470 1 1470 . 1 . 1 144 144 LEU HB3 H 1 1.433 0.020 . 2 . . . . . 143 LEU HB3 . 51470 1 1471 . 1 . 1 144 144 LEU HG H 1 0.505 0.020 . 1 . . . . . 143 LEU HG . 51470 1 1472 . 1 . 1 144 144 LEU HD11 H 1 0.809 0.020 . 1 . . . . . 143 LEU HD1 . 51470 1 1473 . 1 . 1 144 144 LEU HD12 H 1 0.809 0.020 . 1 . . . . . 143 LEU HD1 . 51470 1 1474 . 1 . 1 144 144 LEU HD13 H 1 0.809 0.020 . 1 . . . . . 143 LEU HD1 . 51470 1 1475 . 1 . 1 144 144 LEU HD21 H 1 0.757 0.020 . 1 . . . . . 143 LEU HD2 . 51470 1 1476 . 1 . 1 144 144 LEU HD22 H 1 0.757 0.020 . 1 . . . . . 143 LEU HD2 . 51470 1 1477 . 1 . 1 144 144 LEU HD23 H 1 0.757 0.020 . 1 . . . . . 143 LEU HD2 . 51470 1 1478 . 1 . 1 144 144 LEU C C 13 175.443 0.3 . 1 . . . . . 143 LEU C . 51470 1 1479 . 1 . 1 144 144 LEU CA C 13 51.229 0.3 . 1 . . . . . 143 LEU CA . 51470 1 1480 . 1 . 1 144 144 LEU CB C 13 43.556 0.3 . 1 . . . . . 143 LEU CB . 51470 1 1481 . 1 . 1 144 144 LEU CG C 13 26.252 0.3 . 1 . . . . . 143 LEU CG . 51470 1 1482 . 1 . 1 144 144 LEU CD1 C 13 23.543 0.3 . 1 . . . . . 143 LEU CD1 . 51470 1 1483 . 1 . 1 144 144 LEU CD2 C 13 21.582 0.3 . 1 . . . . . 143 LEU CD2 . 51470 1 1484 . 1 . 1 144 144 LEU N N 15 121.889 0.3 . 1 . . . . . 143 LEU N . 51470 1 1485 . 1 . 1 145 145 PRO HA H 1 4.880 0.020 . 1 . . . . . 144 PRO HA . 51470 1 1486 . 1 . 1 145 145 PRO HB2 H 1 2.557 0.020 . 2 . . . . . 144 PRO HB2 . 51470 1 1487 . 1 . 1 145 145 PRO HB3 H 1 2.306 0.020 . 2 . . . . . 144 PRO HB3 . 51470 1 1488 . 1 . 1 145 145 PRO HG2 H 1 2.088 0.020 . 2 . . . . . 144 PRO HG2 . 51470 1 1489 . 1 . 1 145 145 PRO HG3 H 1 2.267 0.020 . 2 . . . . . 144 PRO HG3 . 51470 1 1490 . 1 . 1 145 145 PRO HD2 H 1 3.627 0.020 . 2 . . . . . 144 PRO HD2 . 51470 1 1491 . 1 . 1 145 145 PRO HD3 H 1 4.250 0.020 . 2 . . . . . 144 PRO HD3 . 51470 1 1492 . 1 . 1 145 145 PRO C C 13 176.715 0.3 . 1 . . . . . 144 PRO C . 51470 1 1493 . 1 . 1 145 145 PRO CA C 13 61.714 0.3 . 1 . . . . . 144 PRO CA . 51470 1 1494 . 1 . 1 145 145 PRO CB C 13 31.629 0.3 . 1 . . . . . 144 PRO CB . 51470 1 1495 . 1 . 1 145 145 PRO CG C 13 27.496 0.3 . 1 . . . . . 144 PRO CG . 51470 1 1496 . 1 . 1 145 145 PRO CD C 13 51.089 0.3 . 1 . . . . . 144 PRO CD . 51470 1 1497 . 1 . 1 146 146 GLU H H 1 8.822 0.020 . 1 . . . . . 145 GLU H . 51470 1 1498 . 1 . 1 146 146 GLU HA H 1 4.013 0.020 . 1 . . . . . 145 GLU HA . 51470 1 1499 . 1 . 1 146 146 GLU HB2 H 1 2.135 0.020 . 2 . . . . . 145 GLU HB2 . 51470 1 1500 . 1 . 1 146 146 GLU HB3 H 1 2.043 0.020 . 2 . . . . . 145 GLU HB3 . 51470 1 1501 . 1 . 1 146 146 GLU HG2 H 1 2.371 0.020 . 1 . . . . . 145 GLU HG2 . 51470 1 1502 . 1 . 1 146 146 GLU HG3 H 1 2.371 0.020 . 1 . . . . . 145 GLU HG3 . 51470 1 1503 . 1 . 1 146 146 GLU C C 13 178.862 0.3 . 1 . . . . . 145 GLU C . 51470 1 1504 . 1 . 1 146 146 GLU CA C 13 61.043 0.3 . 1 . . . . . 145 GLU CA . 51470 1 1505 . 1 . 1 146 146 GLU CB C 13 29.759 0.3 . 1 . . . . . 145 GLU CB . 51470 1 1506 . 1 . 1 146 146 GLU CG C 13 35.818 0.3 . 1 . . . . . 145 GLU CG . 51470 1 1507 . 1 . 1 146 146 GLU N N 15 121.048 0.3 . 1 . . . . . 145 GLU N . 51470 1 1508 . 1 . 1 147 147 LEU H H 1 8.945 0.020 . 1 . . . . . 146 LEU H . 51470 1 1509 . 1 . 1 147 147 LEU HA H 1 4.161 0.020 . 1 . . . . . 146 LEU HA . 51470 1 1510 . 1 . 1 147 147 LEU HB2 H 1 1.817 0.020 . 2 . . . . . 146 LEU HB2 . 51470 1 1511 . 1 . 1 147 147 LEU HB3 H 1 1.611 0.020 . 2 . . . . . 146 LEU HB3 . 51470 1 1512 . 1 . 1 147 147 LEU HG H 1 1.698 0.020 . 1 . . . . . 146 LEU HG . 51470 1 1513 . 1 . 1 147 147 LEU HD11 H 1 0.989 0.020 . 1 . . . . . 146 LEU HD1 . 51470 1 1514 . 1 . 1 147 147 LEU HD12 H 1 0.989 0.020 . 1 . . . . . 146 LEU HD1 . 51470 1 1515 . 1 . 1 147 147 LEU HD13 H 1 0.989 0.020 . 1 . . . . . 146 LEU HD1 . 51470 1 1516 . 1 . 1 147 147 LEU HD21 H 1 0.939 0.020 . 1 . . . . . 146 LEU HD2 . 51470 1 1517 . 1 . 1 147 147 LEU HD22 H 1 0.939 0.020 . 1 . . . . . 146 LEU HD2 . 51470 1 1518 . 1 . 1 147 147 LEU HD23 H 1 0.939 0.020 . 1 . . . . . 146 LEU HD2 . 51470 1 1519 . 1 . 1 147 147 LEU C C 13 179.992 0.3 . 1 . . . . . 146 LEU C . 51470 1 1520 . 1 . 1 147 147 LEU CA C 13 58.778 0.3 . 1 . . . . . 146 LEU CA . 51470 1 1521 . 1 . 1 147 147 LEU CB C 13 41.622 0.3 . 1 . . . . . 146 LEU CB . 51470 1 1522 . 1 . 1 147 147 LEU CG C 13 27.114 0.3 . 1 . . . . . 146 LEU CG . 51470 1 1523 . 1 . 1 147 147 LEU CD1 C 13 24.639 0.3 . 1 . . . . . 146 LEU CD1 . 51470 1 1524 . 1 . 1 147 147 LEU CD2 C 13 24.036 0.3 . 1 . . . . . 146 LEU CD2 . 51470 1 1525 . 1 . 1 147 147 LEU N N 15 118.372 0.3 . 1 . . . . . 146 LEU N . 51470 1 1526 . 1 . 1 148 148 ALA H H 1 7.328 0.020 . 1 . . . . . 147 ALA H . 51470 1 1527 . 1 . 1 148 148 ALA HA H 1 4.455 0.020 . 1 . . . . . 147 ALA HA . 51470 1 1528 . 1 . 1 148 148 ALA HB1 H 1 1.571 0.020 . 1 . . . . . 147 ALA HB . 51470 1 1529 . 1 . 1 148 148 ALA HB2 H 1 1.571 0.020 . 1 . . . . . 147 ALA HB . 51470 1 1530 . 1 . 1 148 148 ALA HB3 H 1 1.571 0.020 . 1 . . . . . 147 ALA HB . 51470 1 1531 . 1 . 1 148 148 ALA C C 13 178.359 0.3 . 1 . . . . . 147 ALA C . 51470 1 1532 . 1 . 1 148 148 ALA CA C 13 54.145 0.3 . 1 . . . . . 147 ALA CA . 51470 1 1533 . 1 . 1 148 148 ALA CB C 13 19.811 0.3 . 1 . . . . . 147 ALA CB . 51470 1 1534 . 1 . 1 148 148 ALA N N 15 120.855 0.3 . 1 . . . . . 147 ALA N . 51470 1 1535 . 1 . 1 149 149 ALA H H 1 9.017 0.020 . 1 . . . . . 148 ALA H . 51470 1 1536 . 1 . 1 149 149 ALA HA H 1 4.027 0.020 . 1 . . . . . 148 ALA HA . 51470 1 1537 . 1 . 1 149 149 ALA HB1 H 1 1.491 0.020 . 1 . . . . . 148 ALA HB . 51470 1 1538 . 1 . 1 149 149 ALA HB2 H 1 1.491 0.020 . 1 . . . . . 148 ALA HB . 51470 1 1539 . 1 . 1 149 149 ALA HB3 H 1 1.491 0.020 . 1 . . . . . 148 ALA HB . 51470 1 1540 . 1 . 1 149 149 ALA C C 13 179.120 0.3 . 1 . . . . . 148 ALA C . 51470 1 1541 . 1 . 1 149 149 ALA CA C 13 55.412 0.3 . 1 . . . . . 148 ALA CA . 51470 1 1542 . 1 . 1 149 149 ALA CB C 13 17.928 0.3 . 1 . . . . . 148 ALA CB . 51470 1 1543 . 1 . 1 149 149 ALA N N 15 123.489 0.3 . 1 . . . . . 148 ALA N . 51470 1 1544 . 1 . 1 150 150 ARG H H 1 8.053 0.020 . 1 . . . . . 149 ARG H . 51470 1 1545 . 1 . 1 150 150 ARG HA H 1 4.159 0.020 . 1 . . . . . 149 ARG HA . 51470 1 1546 . 1 . 1 150 150 ARG HB2 H 1 1.942 0.020 . 2 . . . . . 149 ARG HB2 . 51470 1 1547 . 1 . 1 150 150 ARG HB3 H 1 2.027 0.020 . 2 . . . . . 149 ARG HB3 . 51470 1 1548 . 1 . 1 150 150 ARG HG2 H 1 1.923 0.020 . 2 . . . . . 149 ARG HG2 . 51470 1 1549 . 1 . 1 150 150 ARG HG3 H 1 1.740 0.020 . 2 . . . . . 149 ARG HG3 . 51470 1 1550 . 1 . 1 150 150 ARG HD2 H 1 3.214 0.020 . 2 . . . . . 149 ARG HD2 . 51470 1 1551 . 1 . 1 150 150 ARG HD3 H 1 3.273 0.020 . 2 . . . . . 149 ARG HD3 . 51470 1 1552 . 1 . 1 150 150 ARG C C 13 179.502 0.3 . 1 . . . . . 149 ARG C . 51470 1 1553 . 1 . 1 150 150 ARG CA C 13 59.159 0.3 . 1 . . . . . 149 ARG CA . 51470 1 1554 . 1 . 1 150 150 ARG CB C 13 29.905 0.3 . 1 . . . . . 149 ARG CB . 51470 1 1555 . 1 . 1 150 150 ARG CG C 13 27.349 0.3 . 1 . . . . . 149 ARG CG . 51470 1 1556 . 1 . 1 150 150 ARG CD C 13 43.625 0.3 . 1 . . . . . 149 ARG CD . 51470 1 1557 . 1 . 1 150 150 ARG N N 15 117.736 0.3 . 1 . . . . . 149 ARG N . 51470 1 1558 . 1 . 1 151 151 TRP H H 1 7.621 0.020 . 1 . . . . . 150 TRP H . 51470 1 1559 . 1 . 1 151 151 TRP HA H 1 4.108 0.020 . 1 . . . . . 150 TRP HA . 51470 1 1560 . 1 . 1 151 151 TRP HB2 H 1 3.404 0.020 . 2 . . . . . 150 TRP HB2 . 51470 1 1561 . 1 . 1 151 151 TRP HB3 H 1 3.735 0.020 . 2 . . . . . 150 TRP HB3 . 51470 1 1562 . 1 . 1 151 151 TRP C C 13 177.629 0.3 . 1 . . . . . 150 TRP C . 51470 1 1563 . 1 . 1 151 151 TRP CA C 13 61.431 0.3 . 1 . . . . . 150 TRP CA . 51470 1 1564 . 1 . 1 151 151 TRP CB C 13 28.244 0.3 . 1 . . . . . 150 TRP CB . 51470 1 1565 . 1 . 1 151 151 TRP N N 15 121.488 0.3 . 1 . . . . . 150 TRP N . 51470 1 1566 . 1 . 1 152 152 PHE H H 1 8.860 0.020 . 1 . . . . . 151 PHE H . 51470 1 1567 . 1 . 1 152 152 PHE HA H 1 4.171 0.020 . 1 . . . . . 151 PHE HA . 51470 1 1568 . 1 . 1 152 152 PHE HB2 H 1 2.923 0.020 . 1 . . . . . 151 PHE HB2 . 51470 1 1569 . 1 . 1 152 152 PHE HB3 H 1 2.923 0.020 . 1 . . . . . 151 PHE HB3 . 51470 1 1570 . 1 . 1 152 152 PHE C C 13 177.413 0.3 . 1 . . . . . 151 PHE C . 51470 1 1571 . 1 . 1 152 152 PHE CA C 13 61.089 0.3 . 1 . . . . . 151 PHE CA . 51470 1 1572 . 1 . 1 152 152 PHE CB C 13 39.538 0.3 . 1 . . . . . 151 PHE CB . 51470 1 1573 . 1 . 1 152 152 PHE N N 15 121.778 0.3 . 1 . . . . . 151 PHE N . 51470 1 1574 . 1 . 1 153 153 GLU H H 1 8.584 0.020 . 1 . . . . . 152 GLU H . 51470 1 1575 . 1 . 1 153 153 GLU HA H 1 3.682 0.020 . 1 . . . . . 152 GLU HA . 51470 1 1576 . 1 . 1 153 153 GLU HB2 H 1 2.127 0.020 . 2 . . . . . 152 GLU HB2 . 51470 1 1577 . 1 . 1 153 153 GLU HB3 H 1 2.040 0.020 . 2 . . . . . 152 GLU HB3 . 51470 1 1578 . 1 . 1 153 153 GLU HG2 H 1 2.663 0.020 . 2 . . . . . 152 GLU HG2 . 51470 1 1579 . 1 . 1 153 153 GLU HG3 H 1 2.322 0.020 . 2 . . . . . 152 GLU HG3 . 51470 1 1580 . 1 . 1 153 153 GLU C C 13 178.397 0.3 . 1 . . . . . 152 GLU C . 51470 1 1581 . 1 . 1 153 153 GLU CA C 13 59.419 0.3 . 1 . . . . . 152 GLU CA . 51470 1 1582 . 1 . 1 153 153 GLU CB C 13 29.750 0.3 . 1 . . . . . 152 GLU CB . 51470 1 1583 . 1 . 1 153 153 GLU CG C 13 37.019 0.3 . 1 . . . . . 152 GLU CG . 51470 1 1584 . 1 . 1 153 153 GLU N N 15 117.888 0.3 . 1 . . . . . 152 GLU N . 51470 1 1585 . 1 . 1 154 154 ALA H H 1 7.566 0.020 . 1 . . . . . 153 ALA H . 51470 1 1586 . 1 . 1 154 154 ALA HA H 1 4.037 0.020 . 1 . . . . . 153 ALA HA . 51470 1 1587 . 1 . 1 154 154 ALA HB1 H 1 1.296 0.020 . 1 . . . . . 153 ALA HB . 51470 1 1588 . 1 . 1 154 154 ALA HB2 H 1 1.296 0.020 . 1 . . . . . 153 ALA HB . 51470 1 1589 . 1 . 1 154 154 ALA HB3 H 1 1.296 0.020 . 1 . . . . . 153 ALA HB . 51470 1 1590 . 1 . 1 154 154 ALA C C 13 179.102 0.3 . 1 . . . . . 153 ALA C . 51470 1 1591 . 1 . 1 154 154 ALA CA C 13 54.175 0.3 . 1 . . . . . 153 ALA CA . 51470 1 1592 . 1 . 1 154 154 ALA CB C 13 17.900 0.3 . 1 . . . . . 153 ALA CB . 51470 1 1593 . 1 . 1 154 154 ALA N N 15 120.693 0.3 . 1 . . . . . 153 ALA N . 51470 1 1594 . 1 . 1 155 155 ASN H H 1 7.268 0.020 . 1 . . . . . 154 ASN H . 51470 1 1595 . 1 . 1 155 155 ASN HA H 1 4.094 0.020 . 1 . . . . . 154 ASN HA . 51470 1 1596 . 1 . 1 155 155 ASN HB2 H 1 1.937 0.020 . 2 . . . . . 154 ASN HB2 . 51470 1 1597 . 1 . 1 155 155 ASN HB3 H 1 1.458 0.020 . 2 . . . . . 154 ASN HB3 . 51470 1 1598 . 1 . 1 155 155 ASN C C 13 176.369 0.3 . 1 . . . . . 154 ASN C . 51470 1 1599 . 1 . 1 155 155 ASN CA C 13 54.560 0.3 . 1 . . . . . 154 ASN CA . 51470 1 1600 . 1 . 1 155 155 ASN CB C 13 38.576 0.3 . 1 . . . . . 154 ASN CB . 51470 1 1601 . 1 . 1 155 155 ASN N N 15 116.916 0.3 . 1 . . . . . 154 ASN N . 51470 1 stop_ save_