data_51471 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51471 _Entry.Title ; ADPr bound 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 ADPr bound 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. . 0000-0001-6823-3167 51471 2 Angelo Gallo . . . 0000-0001-9778-4822 51471 3 Georgios Spyroulias . A. . 0000-0003-1799-3312 51471 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51471 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 618 51471 '15N chemical shifts' 146 51471 '1H chemical shifts' 874 51471 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' 51471 1 . . 2022-10-28 2022-05-23 original author 'original release' 51471 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51470 'apo macro domain of Hepatitis E virus' 51471 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51471 _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. . . 51471 1 2 Angelo Gallo A. . . . 51471 1 3 Georgios Bouras G. . . . 51471 1 4 Maria Birkou M. . . . 51471 1 5 Bruno Canard B. . . . 51471 1 6 Bruno Coutard B. . . . 51471 1 7 Georgios Spyroulias G. A. . . 51471 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chemical shift assignment' 51471 1 'Macro Domains' 51471 1 'NMR solution' 51471 1 'Viral Proteins' 51471 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51471 _Assembly.ID 1 _Assembly.Name 'ADPr Bound MD HEV' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _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 'MD HEV' 1 $entity_1 . . yes native no no . . . 51471 1 2 ADPr 2 $entity_APR . . no native no no . . . 51471 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 2 'Intermediate exchange' 51471 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID "conversion of ADP-ribose-1''-monophosphate (Appr-1''-p) to ADP-ribose" 51471 1 'de-ADP-ribosylate Asp or Glu side chain of host proteins' 51471 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51471 _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. In the STR file the residues are numbered from 0. ; _Entity.Polymer_author_seq_details ; The cloned plasmid attached to the native protein presents one artificial N-terminal residue (M-1), two 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' . . . . . . . . . . . . . . 51471 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID "Conversion of ADP-ribose-1''-monophosphate (Appr-1''-p) to ADP-ribose" 51471 1 'de-ADP-ribosylate Asp or Glu side chain of host proteins' 51471 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 . 51471 1 2 1 HIS . 51471 1 3 2 GLN . 51471 1 4 3 ALA . 51471 1 5 4 ALA . 51471 1 6 5 ARG . 51471 1 7 6 HIS . 51471 1 8 7 ARG . 51471 1 9 8 ARG . 51471 1 10 9 LEU . 51471 1 11 10 LEU . 51471 1 12 11 PHE . 51471 1 13 12 THR . 51471 1 14 13 TYR . 51471 1 15 14 PRO . 51471 1 16 15 ASP . 51471 1 17 16 GLY . 51471 1 18 17 SER . 51471 1 19 18 LYS . 51471 1 20 19 VAL . 51471 1 21 20 PHE . 51471 1 22 21 ALA . 51471 1 23 22 GLY . 51471 1 24 23 SER . 51471 1 25 24 LEU . 51471 1 26 25 PHE . 51471 1 27 26 GLU . 51471 1 28 27 SER . 51471 1 29 28 THR . 51471 1 30 29 CYS . 51471 1 31 30 THR . 51471 1 32 31 TRP . 51471 1 33 32 LEU . 51471 1 34 33 VAL . 51471 1 35 34 ASN . 51471 1 36 35 ALA . 51471 1 37 36 SER . 51471 1 38 37 ASN . 51471 1 39 38 VAL . 51471 1 40 39 ASP . 51471 1 41 40 HIS . 51471 1 42 41 ARG . 51471 1 43 42 PRO . 51471 1 44 43 GLY . 51471 1 45 44 GLY . 51471 1 46 45 GLY . 51471 1 47 46 LEU . 51471 1 48 47 CYS . 51471 1 49 48 HIS . 51471 1 50 49 ALA . 51471 1 51 50 PHE . 51471 1 52 51 TYR . 51471 1 53 52 GLN . 51471 1 54 53 ARG . 51471 1 55 54 TYR . 51471 1 56 55 PRO . 51471 1 57 56 ALA . 51471 1 58 57 SER . 51471 1 59 58 PHE . 51471 1 60 59 ASP . 51471 1 61 60 ALA . 51471 1 62 61 ALA . 51471 1 63 62 SER . 51471 1 64 63 PHE . 51471 1 65 64 VAL . 51471 1 66 65 MET . 51471 1 67 66 ARG . 51471 1 68 67 ASP . 51471 1 69 68 GLY . 51471 1 70 69 ALA . 51471 1 71 70 ALA . 51471 1 72 71 ALA . 51471 1 73 72 TYR . 51471 1 74 73 THR . 51471 1 75 74 LEU . 51471 1 76 75 THR . 51471 1 77 76 PRO . 51471 1 78 77 ARG . 51471 1 79 78 PRO . 51471 1 80 79 ILE . 51471 1 81 80 ILE . 51471 1 82 81 HIS . 51471 1 83 82 ALA . 51471 1 84 83 VAL . 51471 1 85 84 ALA . 51471 1 86 85 PRO . 51471 1 87 86 ASP . 51471 1 88 87 TYR . 51471 1 89 88 ARG . 51471 1 90 89 LEU . 51471 1 91 90 GLU . 51471 1 92 91 HIS . 51471 1 93 92 ASN . 51471 1 94 93 PRO . 51471 1 95 94 LYS . 51471 1 96 95 MET . 51471 1 97 96 LEU . 51471 1 98 97 GLU . 51471 1 99 98 ALA . 51471 1 100 99 ALA . 51471 1 101 100 TYR . 51471 1 102 101 ARG . 51471 1 103 102 GLU . 51471 1 104 103 THR . 51471 1 105 104 CYS . 51471 1 106 105 SER . 51471 1 107 106 ARG . 51471 1 108 107 LEU . 51471 1 109 108 GLY . 51471 1 110 109 THR . 51471 1 111 110 ALA . 51471 1 112 111 ALA . 51471 1 113 112 TYR . 51471 1 114 113 PRO . 51471 1 115 114 LEU . 51471 1 116 115 LEU . 51471 1 117 116 GLY . 51471 1 118 117 THR . 51471 1 119 118 GLY . 51471 1 120 119 ILE . 51471 1 121 120 TYR . 51471 1 122 121 GLN . 51471 1 123 122 VAL . 51471 1 124 123 PRO . 51471 1 125 124 ILE . 51471 1 126 125 GLY . 51471 1 127 126 PRO . 51471 1 128 127 SER . 51471 1 129 128 PHE . 51471 1 130 129 ASP . 51471 1 131 130 ALA . 51471 1 132 131 TRP . 51471 1 133 132 GLU . 51471 1 134 133 ARG . 51471 1 135 134 ASN . 51471 1 136 135 HIS . 51471 1 137 136 ARG . 51471 1 138 137 PRO . 51471 1 139 138 GLY . 51471 1 140 139 ASP . 51471 1 141 140 GLU . 51471 1 142 141 LEU . 51471 1 143 142 TYR . 51471 1 144 143 LEU . 51471 1 145 144 PRO . 51471 1 146 145 GLU . 51471 1 147 146 LEU . 51471 1 148 147 ALA . 51471 1 149 148 ALA . 51471 1 150 149 ARG . 51471 1 151 150 TRP . 51471 1 152 151 PHE . 51471 1 153 152 GLU . 51471 1 154 153 ALA . 51471 1 155 154 ASN . 51471 1 156 155 LEU . 51471 1 157 156 GLU . 51471 1 158 157 HIS . 51471 1 159 158 HIS . 51471 1 160 159 HIS . 51471 1 161 160 HIS . 51471 1 162 161 HIS . 51471 1 163 162 HIS . 51471 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 51471 1 . HIS 2 2 51471 1 . GLN 3 3 51471 1 . ALA 4 4 51471 1 . ALA 5 5 51471 1 . ARG 6 6 51471 1 . HIS 7 7 51471 1 . ARG 8 8 51471 1 . ARG 9 9 51471 1 . LEU 10 10 51471 1 . LEU 11 11 51471 1 . PHE 12 12 51471 1 . THR 13 13 51471 1 . TYR 14 14 51471 1 . PRO 15 15 51471 1 . ASP 16 16 51471 1 . GLY 17 17 51471 1 . SER 18 18 51471 1 . LYS 19 19 51471 1 . VAL 20 20 51471 1 . PHE 21 21 51471 1 . ALA 22 22 51471 1 . GLY 23 23 51471 1 . SER 24 24 51471 1 . LEU 25 25 51471 1 . PHE 26 26 51471 1 . GLU 27 27 51471 1 . SER 28 28 51471 1 . THR 29 29 51471 1 . CYS 30 30 51471 1 . THR 31 31 51471 1 . TRP 32 32 51471 1 . LEU 33 33 51471 1 . VAL 34 34 51471 1 . ASN 35 35 51471 1 . ALA 36 36 51471 1 . SER 37 37 51471 1 . ASN 38 38 51471 1 . VAL 39 39 51471 1 . ASP 40 40 51471 1 . HIS 41 41 51471 1 . ARG 42 42 51471 1 . PRO 43 43 51471 1 . GLY 44 44 51471 1 . GLY 45 45 51471 1 . GLY 46 46 51471 1 . LEU 47 47 51471 1 . CYS 48 48 51471 1 . HIS 49 49 51471 1 . ALA 50 50 51471 1 . PHE 51 51 51471 1 . TYR 52 52 51471 1 . GLN 53 53 51471 1 . ARG 54 54 51471 1 . TYR 55 55 51471 1 . PRO 56 56 51471 1 . ALA 57 57 51471 1 . SER 58 58 51471 1 . PHE 59 59 51471 1 . ASP 60 60 51471 1 . ALA 61 61 51471 1 . ALA 62 62 51471 1 . SER 63 63 51471 1 . PHE 64 64 51471 1 . VAL 65 65 51471 1 . MET 66 66 51471 1 . ARG 67 67 51471 1 . ASP 68 68 51471 1 . GLY 69 69 51471 1 . ALA 70 70 51471 1 . ALA 71 71 51471 1 . ALA 72 72 51471 1 . TYR 73 73 51471 1 . THR 74 74 51471 1 . LEU 75 75 51471 1 . THR 76 76 51471 1 . PRO 77 77 51471 1 . ARG 78 78 51471 1 . PRO 79 79 51471 1 . ILE 80 80 51471 1 . ILE 81 81 51471 1 . HIS 82 82 51471 1 . ALA 83 83 51471 1 . VAL 84 84 51471 1 . ALA 85 85 51471 1 . PRO 86 86 51471 1 . ASP 87 87 51471 1 . TYR 88 88 51471 1 . ARG 89 89 51471 1 . LEU 90 90 51471 1 . GLU 91 91 51471 1 . HIS 92 92 51471 1 . ASN 93 93 51471 1 . PRO 94 94 51471 1 . LYS 95 95 51471 1 . MET 96 96 51471 1 . LEU 97 97 51471 1 . GLU 98 98 51471 1 . ALA 99 99 51471 1 . ALA 100 100 51471 1 . TYR 101 101 51471 1 . ARG 102 102 51471 1 . GLU 103 103 51471 1 . THR 104 104 51471 1 . CYS 105 105 51471 1 . SER 106 106 51471 1 . ARG 107 107 51471 1 . LEU 108 108 51471 1 . GLY 109 109 51471 1 . THR 110 110 51471 1 . ALA 111 111 51471 1 . ALA 112 112 51471 1 . TYR 113 113 51471 1 . PRO 114 114 51471 1 . LEU 115 115 51471 1 . LEU 116 116 51471 1 . GLY 117 117 51471 1 . THR 118 118 51471 1 . GLY 119 119 51471 1 . ILE 120 120 51471 1 . TYR 121 121 51471 1 . GLN 122 122 51471 1 . VAL 123 123 51471 1 . PRO 124 124 51471 1 . ILE 125 125 51471 1 . GLY 126 126 51471 1 . PRO 127 127 51471 1 . SER 128 128 51471 1 . PHE 129 129 51471 1 . ASP 130 130 51471 1 . ALA 131 131 51471 1 . TRP 132 132 51471 1 . GLU 133 133 51471 1 . ARG 134 134 51471 1 . ASN 135 135 51471 1 . HIS 136 136 51471 1 . ARG 137 137 51471 1 . PRO 138 138 51471 1 . GLY 139 139 51471 1 . ASP 140 140 51471 1 . GLU 141 141 51471 1 . LEU 142 142 51471 1 . TYR 143 143 51471 1 . LEU 144 144 51471 1 . PRO 145 145 51471 1 . GLU 146 146 51471 1 . LEU 147 147 51471 1 . ALA 148 148 51471 1 . ALA 149 149 51471 1 . ARG 150 150 51471 1 . TRP 151 151 51471 1 . PHE 152 152 51471 1 . GLU 153 153 51471 1 . ALA 154 154 51471 1 . ASN 155 155 51471 1 . LEU 156 156 51471 1 . GLU 157 157 51471 1 . HIS 158 158 51471 1 . HIS 159 159 51471 1 . HIS 160 160 51471 1 . HIS 161 161 51471 1 . HIS 162 162 51471 1 . HIS 163 163 51471 1 stop_ save_ save_entity_APR _Entity.Sf_category entity _Entity.Sf_framecode entity_APR _Entity.Entry_ID 51471 _Entity.ID 2 _Entity.BMRB_code APR _Entity.Name entity_APR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID APR _Entity.Nonpolymer_comp_label $chem_comp_APR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 559.316 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5-DIPHOSPHORIBOSE BMRB 51471 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5-DIPHOSPHORIBOSE BMRB 51471 2 APR 'Three letter code' 51471 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 APR $chem_comp_APR 51471 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51471 _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' 51471 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 51471 _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(+) . . . 51471 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_APR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_APR _Chem_comp.Entry_ID 51471 _Chem_comp.ID APR _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5-DIPHOSPHORIBOSE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code APR _Chem_comp.PDB_code APR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code APR _Chem_comp.Number_atoms_all 59 _Chem_comp.Number_atoms_nh 36 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C15 H23 N5 O14 P2' _Chem_comp.Formula_weight 559.316 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1G9Q _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 ; InChI InChI 1.03 51471 APR Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 51471 APR Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O SMILES CACTVS 3.341 51471 APR O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O SMILES ACDLabs 10.04 51471 APR SRNWOUGRCWSEMX-KEOHHSTQSA-N InChIKey InChI 1.03 51471 APR c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 51471 APR c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51471 APR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) ; 'SYSTEMATIC NAME' ACDLabs 10.04 51471 APR ; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51471 APR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 57.304 . 21.677 . 3.126 . 2.348 -0.932 9.041 1 . 51471 APR C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 58.333 . 20.780 . 2.780 . 1.265 -1.622 8.731 2 . 51471 APR N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 58.815 . 19.783 . 3.523 . 0.592 -1.418 7.618 3 . 51471 APR C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 58.161 . 19.655 . 4.774 . 0.984 -0.493 6.749 4 . 51471 APR C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 57.100 . 20.441 . 5.267 . 2.128 0.271 7.035 5 . 51471 APR C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 56.684 . 21.562 . 4.396 . 2.816 0.012 8.233 6 . 51471 APR N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 55.837 . 22.531 . 4.767 . 3.952 0.730 8.566 7 . 51471 APR N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 56.714 . 19.987 . 6.521 . 2.307 1.124 5.999 8 . 51471 APR C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 57.592 . 19.016 . 6.814 . 1.365 0.943 5.120 9 . 51471 APR N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 58.523 . 18.831 . 5.825 . 0.523 -0.044 5.537 10 . 51471 APR C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 59.925 . 18.013 . 5.799 . -0.656 -0.537 4.822 11 . 51471 APR C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 60.873 . 18.577 . 6.883 . -1.902 0.290 5.207 12 . 51471 APR O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 62.159 . 18.740 . 6.323 . -2.672 -0.385 6.202 13 . 51471 APR C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 60.931 . 17.488 . 8.019 . -2.700 0.400 3.886 14 . 51471 APR O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 62.274 . 17.237 . 8.416 . -3.986 -0.206 4.025 15 . 51471 APR O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 59.714 . 16.695 . 6.161 . -0.502 -0.338 3.400 16 . 51471 APR C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 60.320 . 16.270 . 7.470 . -1.842 -0.377 2.863 17 . 51471 APR C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 59.249 . 15.847 . 8.393 . -1.888 0.307 1.496 18 . 51471 APR O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 58.071 . 15.548 . 7.636 . -1.032 -0.386 0.586 19 . 51471 APR PA PA PA PA . P . . S 0 . . . 1 N N . . . . 56.778 . 15.038 . 8.330 . -1.129 0.384 -0.823 20 . 51471 APR O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 56.709 . 13.669 . 8.178 . -0.686 1.786 -0.651 21 . 51471 APR O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 55.711 . 15.657 . 7.705 . -2.652 0.362 -1.343 22 . 51471 APR O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 56.727 . 15.443 . 9.983 . -0.183 -0.348 -1.901 23 . 51471 APR PB PB PB PB . P . . R 0 . . . 1 N N . . . . 56.585 . 16.854 . 10.752 . -0.328 0.470 -3.280 24 . 51471 APR O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 57.185 . 17.940 . 9.929 . 0.101 1.871 -3.069 25 . 51471 APR O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 57.257 . 16.795 . 12.071 . -1.865 0.447 -3.758 26 . 51471 APR O5D O5D O5D RO5* . O . . N 0 . . . 1 N N . . . . 54.938 . 17.195 . 10.904 . 0.595 -0.210 -4.408 27 . 51471 APR C5D C5D C5D RC5* . C . . N 0 . . . 1 N N . . . . 54.343 . 16.628 . 12.167 . 0.423 0.556 -5.601 28 . 51471 APR O4D O4D O4D RO4* . O . . N 0 . . . 1 N N . . . . 54.107 . 19.129 . 12.819 . 0.853 -1.385 -6.996 29 . 51471 APR O1D O1D O1D RO1* . O . . N 0 . . . 1 N N . . . . 52.862 . 20.438 . 11.386 . 0.208 -2.680 -8.863 30 . 51471 APR C1D C1D C1D RC1* . C . . R 0 . . . 1 N N . . . . 52.834 . 19.759 . 12.610 . 1.030 -1.602 -8.412 31 . 51471 APR O2D O2D O2D RO2* . O . . N 0 . . . 1 N N . . . . 50.542 . 19.075 . 13.137 . 1.185 -0.064 -10.319 32 . 51471 APR C2D C2D C2D RC2* . C . . R 0 . . . 1 N N . . . . 51.779 . 18.629 . 12.553 . 0.574 -0.261 -9.042 33 . 51471 APR O3D O3D O3D RO3* . O . . N 0 . . . 1 N N . . . . 51.951 . 17.595 . 14.816 . 2.341 1.326 -8.446 34 . 51471 APR C3D C3D C3D RC3* . C . . S 0 . . . 1 N N . . . . 52.364 . 17.465 . 13.367 . 1.096 0.775 -8.014 35 . 51471 APR C4D C4D C4D RC4* . C . . R 0 . . . 1 N N . . . . 53.842 . 17.623 . 13.261 . 1.279 -0.041 -6.720 36 . 51471 APR H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 58.826 . 20.870 . 1.797 . 0.918 -2.381 9.417 37 . 51471 APR H61 H61 H61 1H6 . H . . N 0 . . . 1 N N . . . . 55.391 . 22.448 . 5.680 . 4.416 0.544 9.397 38 . 51471 APR H62 H62 H62 2H6 . H . . N 0 . . . 1 N N . . . . 55.118 . 22.640 . 4.051 . 4.286 1.415 7.966 39 . 51471 APR H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 57.553 . 18.439 . 7.753 . 1.265 1.493 4.196 40 . 51471 APR H'1 H'1 H'1 1H* . H . . N 0 . . . 1 N N . . . . 60.348 . 18.101 . 4.771 . -0.819 -1.592 5.042 41 . 51471 APR H'2 H'2 H'2 2H* . H . . N 0 . . . 1 N N . . . . 60.523 . 19.560 . 7.276 . -1.608 1.279 5.559 42 . 51471 APR HO'2 HO'2 HO'2 2HO* . H . . N 0 . . . 0 N N . . . . 62.741 . 19.086 . 6.988 . -3.464 0.149 6.354 43 . 51471 APR H'3 H'3 H'3 3H* . H . . N 0 . . . 1 N N . . . . 60.384 . 17.837 . 8.926 . -2.801 1.443 3.585 44 . 51471 APR HO'3 HO'3 HO'3 3HO* . H . . N 0 . . . 0 N N . . . . 62.309 . 16.580 . 9.101 . -4.474 0.319 4.673 45 . 51471 APR H'4 H'4 H'4 4H* . H . . N 0 . . . 1 N N . . . . 61.043 . 15.432 . 7.339 . -2.189 -1.407 2.782 46 . 51471 APR H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 59.561 . 14.998 . 9.044 . -2.910 0.293 1.116 47 . 51471 APR H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 59.058 . 16.598 . 9.194 . -1.552 1.340 1.595 48 . 51471 APR HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 54.920 . 15.345 . 8.129 . -2.901 -0.566 -1.442 49 . 51471 APR HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 57.173 . 17.625 . 12.523 . -2.105 -0.480 -3.884 50 . 51471 APR H5R1 H5R1 H5R1 1H5R . H . . N 0 . . . 0 N N . . . . 53.512 . 15.935 . 11.898 . -0.625 0.539 -5.897 51 . 51471 APR H5R2 H5R2 H5R2 2H5R . H . . N 0 . . . 0 N N . . . . 55.071 . 15.919 . 12.626 . 0.732 1.586 -5.418 52 . 51471 APR HOR1 HOR1 HOR1 1HOR . H . . N 0 . . . 0 N N . . . . 52.019 . 20.854 . 11.247 . 0.495 -3.469 -8.385 53 . 51471 APR HR'1 HR'1 HR'1 1HR* . H . . N 0 . . . 0 N N . . . . 52.595 . 20.484 . 13.422 . 2.078 -1.797 -8.642 54 . 51471 APR HOR2 HOR2 HOR2 2HOR . H . . N 0 . . . 0 N N . . . . 49.894 . 18.381 . 13.102 . 0.892 -0.792 -10.884 55 . 51471 APR HR'2 HR'2 HR'2 2HR* . H . . N 0 . . . 0 N N . . . . 51.559 . 18.323 . 11.503 . -0.512 -0.219 -9.122 56 . 51471 APR HOR3 HOR3 HOR3 3HOR . H . . N 0 . . . 0 N N . . . . 52.312 . 16.875 . 15.319 . 2.172 1.772 -9.288 57 . 51471 APR HR'3 HR'3 HR'3 3HR* . H . . N 0 . . . 0 N N . . . . 52.011 . 16.474 . 12.994 . 0.361 1.567 -7.864 58 . 51471 APR HR'4 HR'4 HR'4 4HR* . H . . N 0 . . . 0 N N . . . . 54.373 . 17.409 . 14.217 . 2.329 -0.038 -6.425 59 . 51471 APR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 Y N 1 . 51471 APR 2 . DOUB N1 C6 Y N 2 . 51471 APR 3 . DOUB C2 N3 Y N 3 . 51471 APR 4 . SING C2 H2 N N 4 . 51471 APR 5 . SING N3 C4 Y N 5 . 51471 APR 6 . DOUB C4 C5 Y N 6 . 51471 APR 7 . SING C4 N9 Y N 7 . 51471 APR 8 . SING C5 C6 Y N 8 . 51471 APR 9 . SING C5 N7 Y N 9 . 51471 APR 10 . SING C6 N6 N N 10 . 51471 APR 11 . SING N6 H61 N N 11 . 51471 APR 12 . SING N6 H62 N N 12 . 51471 APR 13 . DOUB N7 C8 Y N 13 . 51471 APR 14 . SING C8 N9 Y N 14 . 51471 APR 15 . SING C8 H8 N N 15 . 51471 APR 16 . SING N9 C1' N N 16 . 51471 APR 17 . SING C1' C2' N N 17 . 51471 APR 18 . SING C1' O4' N N 18 . 51471 APR 19 . SING C1' H'1 N N 19 . 51471 APR 20 . SING C2' O2' N N 20 . 51471 APR 21 . SING C2' C3' N N 21 . 51471 APR 22 . SING C2' H'2 N N 22 . 51471 APR 23 . SING O2' HO'2 N N 23 . 51471 APR 24 . SING C3' O3' N N 24 . 51471 APR 25 . SING C3' C4' N N 25 . 51471 APR 26 . SING C3' H'3 N N 26 . 51471 APR 27 . SING O3' HO'3 N N 27 . 51471 APR 28 . SING O4' C4' N N 28 . 51471 APR 29 . SING C4' C5' N N 29 . 51471 APR 30 . SING C4' H'4 N N 30 . 51471 APR 31 . SING C5' O5' N N 31 . 51471 APR 32 . SING C5' H5'1 N N 32 . 51471 APR 33 . SING C5' H5'2 N N 33 . 51471 APR 34 . SING O5' PA N N 34 . 51471 APR 35 . DOUB PA O1A N N 35 . 51471 APR 36 . SING PA O2A N N 36 . 51471 APR 37 . SING PA O3A N N 37 . 51471 APR 38 . SING O2A HOA2 N N 38 . 51471 APR 39 . SING O3A PB N N 39 . 51471 APR 40 . DOUB PB O1B N N 40 . 51471 APR 41 . SING PB O2B N N 41 . 51471 APR 42 . SING PB O5D N N 42 . 51471 APR 43 . SING O2B HOB2 N N 43 . 51471 APR 44 . SING O5D C5D N N 44 . 51471 APR 45 . SING C5D C4D N N 45 . 51471 APR 46 . SING C5D H5R1 N N 46 . 51471 APR 47 . SING C5D H5R2 N N 47 . 51471 APR 48 . SING O4D C1D N N 48 . 51471 APR 49 . SING O4D C4D N N 49 . 51471 APR 50 . SING O1D C1D N N 50 . 51471 APR 51 . SING O1D HOR1 N N 51 . 51471 APR 52 . SING C1D C2D N N 52 . 51471 APR 53 . SING C1D HR'1 N N 53 . 51471 APR 54 . SING O2D C2D N N 54 . 51471 APR 55 . SING O2D HOR2 N N 55 . 51471 APR 56 . SING C2D C3D N N 56 . 51471 APR 57 . SING C2D HR'2 N N 57 . 51471 APR 58 . SING O3D C3D N N 58 . 51471 APR 59 . SING O3D HOR3 N N 59 . 51471 APR 60 . SING C3D C4D N N 60 . 51471 APR 61 . SING C3D HR'3 N N 61 . 51471 APR 62 . SING C4D HR'4 N N 62 . 51471 APR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51471 _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 'MD HEV' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51471 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 51471 1 3 APR 'natural abundance' . . . . . . 5 . . mM . . . . 51471 1 4 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 51471 1 5 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51471 1 6 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 51471 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 51471 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 51471 _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 51471 1 pH 5.4 . pH 51471 1 pressure 1 . atm 51471 1 temperature 298 . K 51471 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51471 _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 . 51471 1 processing . 51471 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51471 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51471 2 'data analysis' . 51471 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 51471 _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 51471 _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 . . . . . . . . . . . . . . . . . 51471 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 3 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 4 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 5 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 6 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 8 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 9 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 10 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 11 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 12 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 13 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 1 14 '3D 1H-13C NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51471 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 51471 _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 . . . . . 51471 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 51471 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51471 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 51471 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chemical shifts 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' . . . 51471 1 4 '2D 1H-13C HSQC' . . . 51471 1 5 '3D CBCACONH' . . . 51471 1 6 '3D CBCANH' . . . 51471 1 7 '3D HN(CO)CA' . . . 51471 1 8 '3D HNCA' . . . 51471 1 9 '3D HNCO' . . . 51471 1 10 '3D HNCACO' . . . 51471 1 11 '3D HBHA(CO)NH' . . . 51471 1 12 '3D (H)CCH-TOCSY' . . . 51471 1 13 '3D 1H-15N NOESY' . . . 51471 1 14 '3D 1H-13C NOESY' . . . 51471 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 . . 51471 1 2 $software_2 . . 51471 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 H H 1 8.230 0.020 . 1 . . . . . 0 MET H . 51471 1 2 . 1 . 1 1 1 MET HA H 1 4.621 0.020 . 1 . . . . . 0 MET HA . 51471 1 3 . 1 . 1 1 1 MET C C 13 174.110 0.3 . 1 . . . . . 0 MET C . 51471 1 4 . 1 . 1 1 1 MET CA C 13 55.361 0.3 . 1 . . . . . 0 MET CA . 51471 1 5 . 1 . 1 1 1 MET CB C 13 28.704 0.3 . 1 . . . . . 0 MET CB . 51471 1 6 . 1 . 1 1 1 MET CG C 13 29.060 0.3 . 1 . . . . . 0 MET CG . 51471 1 7 . 1 . 1 1 1 MET N N 15 118.035 0.3 . 1 . . . . . 0 MET N . 51471 1 8 . 1 . 1 2 2 HIS H H 1 8.435 0.020 . 1 . . . . . 1 HIS H . 51471 1 9 . 1 . 1 2 2 HIS HA H 1 4.629 0.020 . 1 . . . . . 1 HIS HA . 51471 1 10 . 1 . 1 2 2 HIS HB2 H 1 3.203 0.020 . 2 . . . . . 1 HIS HB2 . 51471 1 11 . 1 . 1 2 2 HIS HB3 H 1 3.096 0.020 . 2 . . . . . 1 HIS HB3 . 51471 1 12 . 1 . 1 2 2 HIS C C 13 173.981 0.3 . 1 . . . . . 1 HIS C . 51471 1 13 . 1 . 1 2 2 HIS CA C 13 55.536 0.3 . 1 . . . . . 1 HIS CA . 51471 1 14 . 1 . 1 2 2 HIS CB C 13 28.995 0.3 . 1 . . . . . 1 HIS CB . 51471 1 15 . 1 . 1 2 2 HIS N N 15 119.142 0.3 . 1 . . . . . 1 HIS N . 51471 1 16 . 1 . 1 3 3 GLN H H 1 8.613 0.020 . 1 . . . . . 2 GLN H . 51471 1 17 . 1 . 1 3 3 GLN HA H 1 4.287 0.020 . 1 . . . . . 2 GLN HA . 51471 1 18 . 1 . 1 3 3 GLN HB2 H 1 2.035 0.020 . 2 . . . . . 2 GLN HB2 . 51471 1 19 . 1 . 1 3 3 GLN HB3 H 1 1.934 0.020 . 2 . . . . . 2 GLN HB3 . 51471 1 20 . 1 . 1 3 3 GLN C C 13 175.257 0.3 . 1 . . . . . 2 GLN C . 51471 1 21 . 1 . 1 3 3 GLN CA C 13 55.691 0.3 . 1 . . . . . 2 GLN CA . 51471 1 22 . 1 . 1 3 3 GLN CB C 13 29.516 0.3 . 1 . . . . . 2 GLN CB . 51471 1 23 . 1 . 1 3 3 GLN CG C 13 33.488 0.3 . 1 . . . . . 2 GLN CG . 51471 1 24 . 1 . 1 3 3 GLN N N 15 123.428 0.3 . 1 . . . . . 2 GLN N . 51471 1 25 . 1 . 1 4 4 ALA H H 1 8.477 0.020 . 1 . . . . . 3 ALA H . 51471 1 26 . 1 . 1 4 4 ALA HA H 1 4.235 0.020 . 1 . . . . . 3 ALA HA . 51471 1 27 . 1 . 1 4 4 ALA HB1 H 1 1.314 0.020 . 1 . . . . . 3 ALA HB . 51471 1 28 . 1 . 1 4 4 ALA HB2 H 1 1.314 0.020 . 1 . . . . . 3 ALA HB . 51471 1 29 . 1 . 1 4 4 ALA HB3 H 1 1.314 0.020 . 1 . . . . . 3 ALA HB . 51471 1 30 . 1 . 1 4 4 ALA C C 13 177.215 0.3 . 1 . . . . . 3 ALA C . 51471 1 31 . 1 . 1 4 4 ALA CA C 13 52.250 0.3 . 1 . . . . . 3 ALA CA . 51471 1 32 . 1 . 1 4 4 ALA CB C 13 19.124 0.3 . 1 . . . . . 3 ALA CB . 51471 1 33 . 1 . 1 4 4 ALA N N 15 126.210 0.3 . 1 . . . . . 3 ALA N . 51471 1 34 . 1 . 1 5 5 ALA H H 1 8.317 0.020 . 1 . . . . . 4 ALA H . 51471 1 35 . 1 . 1 5 5 ALA HA H 1 4.263 0.020 . 1 . . . . . 4 ALA HA . 51471 1 36 . 1 . 1 5 5 ALA HB1 H 1 1.367 0.020 . 1 . . . . . 4 ALA HB . 51471 1 37 . 1 . 1 5 5 ALA HB2 H 1 1.367 0.020 . 1 . . . . . 4 ALA HB . 51471 1 38 . 1 . 1 5 5 ALA HB3 H 1 1.367 0.020 . 1 . . . . . 4 ALA HB . 51471 1 39 . 1 . 1 5 5 ALA C C 13 177.352 0.3 . 1 . . . . . 4 ALA C . 51471 1 40 . 1 . 1 5 5 ALA CA C 13 52.077 0.3 . 1 . . . . . 4 ALA CA . 51471 1 41 . 1 . 1 5 5 ALA CB C 13 19.057 0.3 . 1 . . . . . 4 ALA CB . 51471 1 42 . 1 . 1 5 5 ALA N N 15 123.751 0.3 . 1 . . . . . 4 ALA N . 51471 1 43 . 1 . 1 6 6 ARG H H 1 8.276 0.020 . 1 . . . . . 5 ARG H . 51471 1 44 . 1 . 1 6 6 ARG HA H 1 4.218 0.020 . 1 . . . . . 5 ARG HA . 51471 1 45 . 1 . 1 6 6 ARG HB2 H 1 1.801 0.020 . 2 . . . . . 5 ARG HB2 . 51471 1 46 . 1 . 1 6 6 ARG HB3 H 1 1.681 0.020 . 2 . . . . . 5 ARG HB3 . 51471 1 47 . 1 . 1 6 6 ARG HG2 H 1 1.487 0.020 . 2 . . . . . 5 ARG HG2 . 51471 1 48 . 1 . 1 6 6 ARG HG3 H 1 1.704 0.020 . 2 . . . . . 5 ARG HG3 . 51471 1 49 . 1 . 1 6 6 ARG HD2 H 1 3.170 0.020 . 2 . . . . . 5 ARG HD2 . 51471 1 50 . 1 . 1 6 6 ARG HD3 H 1 3.107 0.020 . 2 . . . . . 5 ARG HD3 . 51471 1 51 . 1 . 1 6 6 ARG C C 13 176.229 0.3 . 1 . . . . . 5 ARG C . 51471 1 52 . 1 . 1 6 6 ARG CA C 13 56.091 0.3 . 1 . . . . . 5 ARG CA . 51471 1 53 . 1 . 1 6 6 ARG CB C 13 31.203 0.3 . 1 . . . . . 5 ARG CB . 51471 1 54 . 1 . 1 6 6 ARG CG C 13 27.794 0.3 . 1 . . . . . 5 ARG CG . 51471 1 55 . 1 . 1 6 6 ARG CD C 13 43.220 0.3 . 1 . . . . . 5 ARG CD . 51471 1 56 . 1 . 1 6 6 ARG N N 15 120.506 0.3 . 1 . . . . . 5 ARG N . 51471 1 57 . 1 . 1 7 7 HIS H H 1 9.312 0.020 . 1 . . . . . 6 HIS H . 51471 1 58 . 1 . 1 7 7 HIS HA H 1 4.984 0.020 . 1 . . . . . 6 HIS HA . 51471 1 59 . 1 . 1 7 7 HIS HB2 H 1 3.469 0.020 . 2 . . . . . 6 HIS HB2 . 51471 1 60 . 1 . 1 7 7 HIS HB3 H 1 3.130 0.020 . 2 . . . . . 6 HIS HB3 . 51471 1 61 . 1 . 1 7 7 HIS HD2 H 1 7.302 0.020 . 1 . . . . . 6 HIS HD2 . 51471 1 62 . 1 . 1 7 7 HIS C C 13 175.049 0.3 . 1 . . . . . 6 HIS C . 51471 1 63 . 1 . 1 7 7 HIS CA C 13 54.837 0.3 . 1 . . . . . 6 HIS CA . 51471 1 64 . 1 . 1 7 7 HIS CB C 13 30.120 0.3 . 1 . . . . . 6 HIS CB . 51471 1 65 . 1 . 1 7 7 HIS CD2 C 13 120.148 0.3 . 1 . . . . . 6 HIS CD2 . 51471 1 66 . 1 . 1 7 7 HIS N N 15 120.219 0.3 . 1 . . . . . 6 HIS N . 51471 1 67 . 1 . 1 8 8 ARG H H 1 9.769 0.020 . 1 . . . . . 7 ARG H . 51471 1 68 . 1 . 1 8 8 ARG HA H 1 4.931 0.020 . 1 . . . . . 7 ARG HA . 51471 1 69 . 1 . 1 8 8 ARG HB2 H 1 1.667 0.020 . 2 . . . . . 7 ARG HB2 . 51471 1 70 . 1 . 1 8 8 ARG HB3 H 1 1.603 0.020 . 2 . . . . . 7 ARG HB3 . 51471 1 71 . 1 . 1 8 8 ARG C C 13 174.461 0.3 . 1 . . . . . 7 ARG C . 51471 1 72 . 1 . 1 8 8 ARG CA C 13 56.001 0.3 . 1 . . . . . 7 ARG CA . 51471 1 73 . 1 . 1 8 8 ARG CB C 13 29.831 0.3 . 1 . . . . . 7 ARG CB . 51471 1 74 . 1 . 1 8 8 ARG CG C 13 25.057 0.3 . 1 . . . . . 7 ARG CG . 51471 1 75 . 1 . 1 8 8 ARG CD C 13 43.417 0.3 . 1 . . . . . 7 ARG CD . 51471 1 76 . 1 . 1 8 8 ARG N N 15 122.538 0.3 . 1 . . . . . 7 ARG N . 51471 1 77 . 1 . 1 9 9 ARG H H 1 8.859 0.020 . 1 . . . . . 8 ARG H . 51471 1 78 . 1 . 1 9 9 ARG HA H 1 4.890 0.020 . 1 . . . . . 8 ARG HA . 51471 1 79 . 1 . 1 9 9 ARG HB2 H 1 1.919 0.020 . 2 . . . . . 8 ARG HB2 . 51471 1 80 . 1 . 1 9 9 ARG HB3 H 1 1.814 0.020 . 2 . . . . . 8 ARG HB3 . 51471 1 81 . 1 . 1 9 9 ARG HG2 H 1 2.028 0.020 . 2 . . . . . 8 ARG HG2 . 51471 1 82 . 1 . 1 9 9 ARG HG3 H 1 1.941 0.020 . 2 . . . . . 8 ARG HG3 . 51471 1 83 . 1 . 1 9 9 ARG C C 13 174.999 0.3 . 1 . . . . . 8 ARG C . 51471 1 84 . 1 . 1 9 9 ARG CA C 13 54.470 0.3 . 1 . . . . . 8 ARG CA . 51471 1 85 . 1 . 1 9 9 ARG CB C 13 33.641 0.3 . 1 . . . . . 8 ARG CB . 51471 1 86 . 1 . 1 9 9 ARG CG C 13 29.107 0.3 . 1 . . . . . 8 ARG CG . 51471 1 87 . 1 . 1 9 9 ARG CD C 13 43.477 0.3 . 1 . . . . . 8 ARG CD . 51471 1 88 . 1 . 1 9 9 ARG N N 15 121.293 0.3 . 1 . . . . . 8 ARG N . 51471 1 89 . 1 . 1 10 10 LEU H H 1 9.090 0.020 . 1 . . . . . 9 LEU H . 51471 1 90 . 1 . 1 10 10 LEU HA H 1 3.759 0.020 . 1 . . . . . 9 LEU HA . 51471 1 91 . 1 . 1 10 10 LEU HB2 H 1 1.000 0.020 . 2 . . . . . 9 LEU HB2 . 51471 1 92 . 1 . 1 10 10 LEU HB3 H 1 1.248 0.020 . 2 . . . . . 9 LEU HB3 . 51471 1 93 . 1 . 1 10 10 LEU HG H 1 0.681 0.020 . 1 . . . . . 9 LEU HG . 51471 1 94 . 1 . 1 10 10 LEU HD11 H 1 0.063 0.020 . 1 . . . . . 9 LEU HD1 . 51471 1 95 . 1 . 1 10 10 LEU HD12 H 1 0.063 0.020 . 1 . . . . . 9 LEU HD1 . 51471 1 96 . 1 . 1 10 10 LEU HD13 H 1 0.063 0.020 . 1 . . . . . 9 LEU HD1 . 51471 1 97 . 1 . 1 10 10 LEU HD21 H 1 0.095 0.020 . 1 . . . . . 9 LEU HD2 . 51471 1 98 . 1 . 1 10 10 LEU HD22 H 1 0.095 0.020 . 1 . . . . . 9 LEU HD2 . 51471 1 99 . 1 . 1 10 10 LEU HD23 H 1 0.095 0.020 . 1 . . . . . 9 LEU HD2 . 51471 1 100 . 1 . 1 10 10 LEU C C 13 175.954 0.3 . 1 . . . . . 9 LEU C . 51471 1 101 . 1 . 1 10 10 LEU CA C 13 56.206 0.3 . 1 . . . . . 9 LEU CA . 51471 1 102 . 1 . 1 10 10 LEU CB C 13 41.364 0.3 . 1 . . . . . 9 LEU CB . 51471 1 103 . 1 . 1 10 10 LEU CG C 13 25.991 0.3 . 1 . . . . . 9 LEU CG . 51471 1 104 . 1 . 1 10 10 LEU CD1 C 13 21.267 0.3 . 1 . . . . . 9 LEU CD1 . 51471 1 105 . 1 . 1 10 10 LEU CD2 C 13 21.049 0.3 . 1 . . . . . 9 LEU CD2 . 51471 1 106 . 1 . 1 10 10 LEU N N 15 129.457 0.3 . 1 . . . . . 9 LEU N . 51471 1 107 . 1 . 1 11 11 LEU H H 1 9.405 0.020 . 1 . . . . . 10 LEU H . 51471 1 108 . 1 . 1 11 11 LEU HA H 1 4.543 0.020 . 1 . . . . . 10 LEU HA . 51471 1 109 . 1 . 1 11 11 LEU HB2 H 1 1.384 0.020 . 2 . . . . . 10 LEU HB2 . 51471 1 110 . 1 . 1 11 11 LEU HB3 H 1 1.421 0.020 . 2 . . . . . 10 LEU HB3 . 51471 1 111 . 1 . 1 11 11 LEU HG H 1 0.747 0.020 . 1 . . . . . 10 LEU HG . 51471 1 112 . 1 . 1 11 11 LEU HD11 H 1 0.773 0.020 . 1 . . . . . 10 LEU HD1 . 51471 1 113 . 1 . 1 11 11 LEU HD12 H 1 0.773 0.020 . 1 . . . . . 10 LEU HD1 . 51471 1 114 . 1 . 1 11 11 LEU HD13 H 1 0.773 0.020 . 1 . . . . . 10 LEU HD1 . 51471 1 115 . 1 . 1 11 11 LEU HD21 H 1 0.798 0.020 . 1 . . . . . 10 LEU HD2 . 51471 1 116 . 1 . 1 11 11 LEU HD22 H 1 0.798 0.020 . 1 . . . . . 10 LEU HD2 . 51471 1 117 . 1 . 1 11 11 LEU HD23 H 1 0.798 0.020 . 1 . . . . . 10 LEU HD2 . 51471 1 118 . 1 . 1 11 11 LEU C C 13 177.577 0.3 . 1 . . . . . 10 LEU C . 51471 1 119 . 1 . 1 11 11 LEU CA C 13 54.907 0.3 . 1 . . . . . 10 LEU CA . 51471 1 120 . 1 . 1 11 11 LEU CB C 13 43.068 0.3 . 1 . . . . . 10 LEU CB . 51471 1 121 . 1 . 1 11 11 LEU CG C 13 26.019 0.3 . 1 . . . . . 10 LEU CG . 51471 1 122 . 1 . 1 11 11 LEU CD1 C 13 21.808 0.3 . 1 . . . . . 10 LEU CD1 . 51471 1 123 . 1 . 1 11 11 LEU CD2 C 13 21.562 0.3 . 1 . . . . . 10 LEU CD2 . 51471 1 124 . 1 . 1 11 11 LEU N N 15 126.970 0.3 . 1 . . . . . 10 LEU N . 51471 1 125 . 1 . 1 12 12 PHE H H 1 7.464 0.020 . 1 . . . . . 11 PHE H . 51471 1 126 . 1 . 1 12 12 PHE HA H 1 4.386 0.020 . 1 . . . . . 11 PHE HA . 51471 1 127 . 1 . 1 12 12 PHE HB2 H 1 3.402 0.020 . 2 . . . . . 11 PHE HB2 . 51471 1 128 . 1 . 1 12 12 PHE HB3 H 1 2.320 0.020 . 2 . . . . . 11 PHE HB3 . 51471 1 129 . 1 . 1 12 12 PHE C C 13 172.034 0.3 . 1 . . . . . 11 PHE C . 51471 1 130 . 1 . 1 12 12 PHE CA C 13 59.276 0.3 . 1 . . . . . 11 PHE CA . 51471 1 131 . 1 . 1 12 12 PHE CB C 13 43.553 0.3 . 1 . . . . . 11 PHE CB . 51471 1 132 . 1 . 1 12 12 PHE CD1 C 13 131.819 0.3 . 1 . . . . . 11 PHE CD1 . 51471 1 133 . 1 . 1 12 12 PHE N N 15 116.905 0.3 . 1 . . . . . 11 PHE N . 51471 1 134 . 1 . 1 13 13 THR H H 1 7.000 0.020 . 1 . . . . . 12 THR H . 51471 1 135 . 1 . 1 13 13 THR HA H 1 4.321 0.020 . 1 . . . . . 12 THR HA . 51471 1 136 . 1 . 1 13 13 THR HB H 1 3.567 0.020 . 1 . . . . . 12 THR HB . 51471 1 137 . 1 . 1 13 13 THR HG21 H 1 1.196 0.020 . 1 . . . . . 12 THR HG2 . 51471 1 138 . 1 . 1 13 13 THR HG22 H 1 1.196 0.020 . 1 . . . . . 12 THR HG2 . 51471 1 139 . 1 . 1 13 13 THR HG23 H 1 1.196 0.020 . 1 . . . . . 12 THR HG2 . 51471 1 140 . 1 . 1 13 13 THR C C 13 173.149 0.3 . 1 . . . . . 12 THR C . 51471 1 141 . 1 . 1 13 13 THR CA C 13 61.448 0.3 . 1 . . . . . 12 THR CA . 51471 1 142 . 1 . 1 13 13 THR CB C 13 69.935 0.3 . 1 . . . . . 12 THR CB . 51471 1 143 . 1 . 1 13 13 THR CG2 C 13 21.415 0.3 . 1 . . . . . 12 THR CG2 . 51471 1 144 . 1 . 1 13 13 THR N N 15 122.137 0.3 . 1 . . . . . 12 THR N . 51471 1 145 . 1 . 1 14 14 TYR H H 1 9.267 0.020 . 1 . . . . . 13 TYR H . 51471 1 146 . 1 . 1 14 14 TYR HA H 1 4.375 0.020 . 1 . . . . . 13 TYR HA . 51471 1 147 . 1 . 1 14 14 TYR HB2 H 1 3.291 0.020 . 2 . . . . . 13 TYR HB2 . 51471 1 148 . 1 . 1 14 14 TYR HB3 H 1 3.177 0.020 . 2 . . . . . 13 TYR HB3 . 51471 1 149 . 1 . 1 14 14 TYR C C 13 176.659 0.3 . 1 . . . . . 13 TYR C . 51471 1 150 . 1 . 1 14 14 TYR CA C 13 58.207 0.3 . 1 . . . . . 13 TYR CA . 51471 1 151 . 1 . 1 14 14 TYR CB C 13 38.633 0.3 . 1 . . . . . 13 TYR CB . 51471 1 152 . 1 . 1 14 14 TYR CD1 C 13 133.057 0.3 . 1 . . . . . 13 TYR CD1 . 51471 1 153 . 1 . 1 14 14 TYR CE1 C 13 119.299 0.3 . 1 . . . . . 13 TYR CE1 . 51471 1 154 . 1 . 1 14 14 TYR N N 15 125.456 0.3 . 1 . . . . . 13 TYR N . 51471 1 155 . 1 . 1 15 15 PRO HA H 1 4.394 0.020 . 1 . . . . . 14 PRO HA . 51471 1 156 . 1 . 1 15 15 PRO HB2 H 1 2.479 0.020 . 2 . . . . . 14 PRO HB2 . 51471 1 157 . 1 . 1 15 15 PRO HB3 H 1 2.061 0.020 . 2 . . . . . 14 PRO HB3 . 51471 1 158 . 1 . 1 15 15 PRO HG2 H 1 2.000 0.020 . 2 . . . . . 14 PRO HG2 . 51471 1 159 . 1 . 1 15 15 PRO HG3 H 1 2.122 0.020 . 2 . . . . . 14 PRO HG3 . 51471 1 160 . 1 . 1 15 15 PRO HD2 H 1 3.971 0.020 . 2 . . . . . 14 PRO HD2 . 51471 1 161 . 1 . 1 15 15 PRO HD3 H 1 4.212 0.020 . 2 . . . . . 14 PRO HD3 . 51471 1 162 . 1 . 1 15 15 PRO C C 13 176.884 0.3 . 1 . . . . . 14 PRO C . 51471 1 163 . 1 . 1 15 15 PRO CA C 13 65.362 0.3 . 1 . . . . . 14 PRO CA . 51471 1 164 . 1 . 1 15 15 PRO CB C 13 31.638 0.3 . 1 . . . . . 14 PRO CB . 51471 1 165 . 1 . 1 15 15 PRO CG C 13 27.860 0.3 . 1 . . . . . 14 PRO CG . 51471 1 166 . 1 . 1 15 15 PRO CD C 13 51.003 0.3 . 1 . . . . . 14 PRO CD . 51471 1 167 . 1 . 1 16 16 ASP H H 1 7.657 0.020 . 1 . . . . . 15 ASP H . 51471 1 168 . 1 . 1 16 16 ASP HA H 1 4.585 0.020 . 1 . . . . . 15 ASP HA . 51471 1 169 . 1 . 1 16 16 ASP HB2 H 1 2.647 0.020 . 2 . . . . . 15 ASP HB2 . 51471 1 170 . 1 . 1 16 16 ASP HB3 H 1 3.096 0.020 . 2 . . . . . 15 ASP HB3 . 51471 1 171 . 1 . 1 16 16 ASP C C 13 177.003 0.3 . 1 . . . . . 15 ASP C . 51471 1 172 . 1 . 1 16 16 ASP CA C 13 53.411 0.3 . 1 . . . . . 15 ASP CA . 51471 1 173 . 1 . 1 16 16 ASP CB C 13 39.664 0.3 . 1 . . . . . 15 ASP CB . 51471 1 174 . 1 . 1 16 16 ASP N N 15 113.207 0.3 . 1 . . . . . 15 ASP N . 51471 1 175 . 1 . 1 17 17 GLY H H 1 8.410 0.020 . 1 . . . . . 16 GLY H . 51471 1 176 . 1 . 1 17 17 GLY HA2 H 1 4.357 0.020 . 2 . . . . . 16 GLY HA2 . 51471 1 177 . 1 . 1 17 17 GLY HA3 H 1 3.625 0.020 . 2 . . . . . 16 GLY HA3 . 51471 1 178 . 1 . 1 17 17 GLY C C 13 175.246 0.3 . 1 . . . . . 16 GLY C . 51471 1 179 . 1 . 1 17 17 GLY CA C 13 45.081 0.3 . 1 . . . . . 16 GLY CA . 51471 1 180 . 1 . 1 17 17 GLY N N 15 107.588 0.3 . 1 . . . . . 16 GLY N . 51471 1 181 . 1 . 1 18 18 SER H H 1 8.586 0.020 . 1 . . . . . 17 SER H . 51471 1 182 . 1 . 1 18 18 SER HA H 1 5.110 0.020 . 1 . . . . . 17 SER HA . 51471 1 183 . 1 . 1 18 18 SER CA C 13 60.042 0.3 . 1 . . . . . 17 SER CA . 51471 1 184 . 1 . 1 18 18 SER CB C 13 62.602 0.3 . 1 . . . . . 17 SER CB . 51471 1 185 . 1 . 1 18 18 SER N N 15 117.672 0.3 . 1 . . . . . 17 SER N . 51471 1 186 . 1 . 1 19 19 LYS H H 1 8.705 0.020 . 1 . . . . . 18 LYS H . 51471 1 187 . 1 . 1 19 19 LYS HA H 1 5.370 0.020 . 1 . . . . . 18 LYS HA . 51471 1 188 . 1 . 1 19 19 LYS HB2 H 1 1.379 0.020 . 2 . . . . . 18 LYS HB2 . 51471 1 189 . 1 . 1 19 19 LYS HB3 H 1 1.310 0.020 . 2 . . . . . 18 LYS HB3 . 51471 1 190 . 1 . 1 19 19 LYS HG2 H 1 1.714 0.020 . 2 . . . . . 18 LYS HG2 . 51471 1 191 . 1 . 1 19 19 LYS HG3 H 1 1.669 0.020 . 2 . . . . . 18 LYS HG3 . 51471 1 192 . 1 . 1 19 19 LYS HD2 H 1 1.449 0.020 . 2 . . . . . 18 LYS HD2 . 51471 1 193 . 1 . 1 19 19 LYS HD3 H 1 1.491 0.020 . 2 . . . . . 18 LYS HD3 . 51471 1 194 . 1 . 1 19 19 LYS HE2 H 1 3.154 0.020 . 2 . . . . . 18 LYS HE2 . 51471 1 195 . 1 . 1 19 19 LYS HE3 H 1 3.035 0.020 . 2 . . . . . 18 LYS HE3 . 51471 1 196 . 1 . 1 19 19 LYS C C 13 173.976 0.3 . 1 . . . . . 18 LYS C . 51471 1 197 . 1 . 1 19 19 LYS CA C 13 55.726 0.3 . 1 . . . . . 18 LYS CA . 51471 1 198 . 1 . 1 19 19 LYS CB C 13 39.724 0.3 . 1 . . . . . 18 LYS CB . 51471 1 199 . 1 . 1 19 19 LYS CG C 13 25.377 0.3 . 1 . . . . . 18 LYS CG . 51471 1 200 . 1 . 1 19 19 LYS CD C 13 29.104 0.3 . 1 . . . . . 18 LYS CD . 51471 1 201 . 1 . 1 19 19 LYS CE C 13 42.504 0.3 . 1 . . . . . 18 LYS CE . 51471 1 202 . 1 . 1 19 19 LYS N N 15 121.555 0.3 . 1 . . . . . 18 LYS N . 51471 1 203 . 1 . 1 20 20 VAL H H 1 8.419 0.020 . 1 . . . . . 19 VAL H . 51471 1 204 . 1 . 1 20 20 VAL HA H 1 4.554 0.020 . 1 . . . . . 19 VAL HA . 51471 1 205 . 1 . 1 20 20 VAL HB H 1 1.495 0.020 . 1 . . . . . 19 VAL HB . 51471 1 206 . 1 . 1 20 20 VAL HG11 H 1 0.066 0.020 . 1 . . . . . 19 VAL HG1 . 51471 1 207 . 1 . 1 20 20 VAL HG12 H 1 0.066 0.020 . 1 . . . . . 19 VAL HG1 . 51471 1 208 . 1 . 1 20 20 VAL HG13 H 1 0.066 0.020 . 1 . . . . . 19 VAL HG1 . 51471 1 209 . 1 . 1 20 20 VAL HG21 H 1 1.006 0.020 . 1 . . . . . 19 VAL HG2 . 51471 1 210 . 1 . 1 20 20 VAL HG22 H 1 1.006 0.020 . 1 . . . . . 19 VAL HG2 . 51471 1 211 . 1 . 1 20 20 VAL HG23 H 1 1.006 0.020 . 1 . . . . . 19 VAL HG2 . 51471 1 212 . 1 . 1 20 20 VAL C C 13 174.198 0.3 . 1 . . . . . 19 VAL C . 51471 1 213 . 1 . 1 20 20 VAL CA C 13 60.461 0.3 . 1 . . . . . 19 VAL CA . 51471 1 214 . 1 . 1 20 20 VAL CB C 13 33.563 0.3 . 1 . . . . . 19 VAL CB . 51471 1 215 . 1 . 1 20 20 VAL CG1 C 13 20.789 0.3 . 1 . . . . . 19 VAL CG1 . 51471 1 216 . 1 . 1 20 20 VAL CG2 C 13 21.237 0.3 . 1 . . . . . 19 VAL CG2 . 51471 1 217 . 1 . 1 20 20 VAL N N 15 118.657 0.3 . 1 . . . . . 19 VAL N . 51471 1 218 . 1 . 1 21 21 PHE H H 1 9.482 0.020 . 1 . . . . . 20 PHE H . 51471 1 219 . 1 . 1 21 21 PHE HA H 1 5.115 0.020 . 1 . . . . . 20 PHE HA . 51471 1 220 . 1 . 1 21 21 PHE HB2 H 1 1.706 0.020 . 2 . . . . . 20 PHE HB2 . 51471 1 221 . 1 . 1 21 21 PHE HB3 H 1 2.360 0.020 . 2 . . . . . 20 PHE HB3 . 51471 1 222 . 1 . 1 21 21 PHE C C 13 175.181 0.3 . 1 . . . . . 20 PHE C . 51471 1 223 . 1 . 1 21 21 PHE CA C 13 56.216 0.3 . 1 . . . . . 20 PHE CA . 51471 1 224 . 1 . 1 21 21 PHE CB C 13 44.040 0.3 . 1 . . . . . 20 PHE CB . 51471 1 225 . 1 . 1 21 21 PHE CD1 C 13 132.125 0.3 . 1 . . . . . 20 PHE CD1 . 51471 1 226 . 1 . 1 21 21 PHE N N 15 124.847 0.3 . 1 . . . . . 20 PHE N . 51471 1 227 . 1 . 1 22 22 ALA H H 1 9.250 0.020 . 1 . . . . . 21 ALA H . 51471 1 228 . 1 . 1 22 22 ALA HA H 1 5.283 0.020 . 1 . . . . . 21 ALA HA . 51471 1 229 . 1 . 1 22 22 ALA HB1 H 1 1.443 0.020 . 1 . . . . . 21 ALA HB . 51471 1 230 . 1 . 1 22 22 ALA HB2 H 1 1.443 0.020 . 1 . . . . . 21 ALA HB . 51471 1 231 . 1 . 1 22 22 ALA HB3 H 1 1.443 0.020 . 1 . . . . . 21 ALA HB . 51471 1 232 . 1 . 1 22 22 ALA C C 13 177.151 0.3 . 1 . . . . . 21 ALA C . 51471 1 233 . 1 . 1 22 22 ALA CA C 13 50.304 0.3 . 1 . . . . . 21 ALA CA . 51471 1 234 . 1 . 1 22 22 ALA CB C 13 19.827 0.3 . 1 . . . . . 21 ALA CB . 51471 1 235 . 1 . 1 22 22 ALA N N 15 122.434 0.3 . 1 . . . . . 21 ALA N . 51471 1 236 . 1 . 1 23 23 GLY H H 1 8.183 0.020 . 1 . . . . . 22 GLY H . 51471 1 237 . 1 . 1 23 23 GLY HA2 H 1 4.453 0.020 . 2 . . . . . 22 GLY HA2 . 51471 1 238 . 1 . 1 23 23 GLY HA3 H 1 3.752 0.020 . 2 . . . . . 22 GLY HA3 . 51471 1 239 . 1 . 1 23 23 GLY C C 13 171.382 0.3 . 1 . . . . . 22 GLY C . 51471 1 240 . 1 . 1 23 23 GLY CA C 13 44.780 0.3 . 1 . . . . . 22 GLY CA . 51471 1 241 . 1 . 1 23 23 GLY N N 15 111.356 0.3 . 1 . . . . . 22 GLY N . 51471 1 242 . 1 . 1 24 24 SER H H 1 8.835 0.020 . 1 . . . . . 23 SER H . 51471 1 243 . 1 . 1 24 24 SER HA H 1 5.084 0.020 . 1 . . . . . 23 SER HA . 51471 1 244 . 1 . 1 24 24 SER HB2 H 1 3.921 0.020 . 2 . . . . . 23 SER HB2 . 51471 1 245 . 1 . 1 24 24 SER HB3 H 1 3.820 0.020 . 2 . . . . . 23 SER HB3 . 51471 1 246 . 1 . 1 24 24 SER C C 13 175.750 0.3 . 1 . . . . . 23 SER C . 51471 1 247 . 1 . 1 24 24 SER CA C 13 54.266 0.3 . 1 . . . . . 23 SER CA . 51471 1 248 . 1 . 1 24 24 SER CB C 13 64.423 0.3 . 1 . . . . . 23 SER CB . 51471 1 249 . 1 . 1 24 24 SER N N 15 114.203 0.3 . 1 . . . . . 23 SER N . 51471 1 250 . 1 . 1 25 25 LEU H H 1 9.069 0.020 . 1 . . . . . 24 LEU H . 51471 1 251 . 1 . 1 25 25 LEU HA H 1 1.989 0.020 . 1 . . . . . 24 LEU HA . 51471 1 252 . 1 . 1 25 25 LEU HG H 1 0.397 0.020 . 1 . . . . . 24 LEU HG . 51471 1 253 . 1 . 1 25 25 LEU HD11 H 1 0.216 0.020 . 1 . . . . . 24 LEU HD1 . 51471 1 254 . 1 . 1 25 25 LEU HD12 H 1 0.216 0.020 . 1 . . . . . 24 LEU HD1 . 51471 1 255 . 1 . 1 25 25 LEU HD13 H 1 0.216 0.020 . 1 . . . . . 24 LEU HD1 . 51471 1 256 . 1 . 1 25 25 LEU HD21 H 1 0.935 0.020 . 1 . . . . . 24 LEU HD2 . 51471 1 257 . 1 . 1 25 25 LEU HD22 H 1 0.935 0.020 . 1 . . . . . 24 LEU HD2 . 51471 1 258 . 1 . 1 25 25 LEU HD23 H 1 0.935 0.020 . 1 . . . . . 24 LEU HD2 . 51471 1 259 . 1 . 1 25 25 LEU CA C 13 56.560 0.3 . 1 . . . . . 24 LEU CA . 51471 1 260 . 1 . 1 25 25 LEU CB C 13 41.617 0.3 . 1 . . . . . 24 LEU CB . 51471 1 261 . 1 . 1 25 25 LEU CG C 13 27.433 0.3 . 1 . . . . . 24 LEU CG . 51471 1 262 . 1 . 1 25 25 LEU CD1 C 13 25.575 0.3 . 1 . . . . . 24 LEU CD1 . 51471 1 263 . 1 . 1 25 25 LEU CD2 C 13 25.050 0.3 . 1 . . . . . 24 LEU CD2 . 51471 1 264 . 1 . 1 25 25 LEU N N 15 128.911 0.3 . 1 . . . . . 24 LEU N . 51471 1 265 . 1 . 1 26 26 PHE H H 1 7.065 0.020 . 1 . . . . . 25 PHE H . 51471 1 266 . 1 . 1 26 26 PHE HA H 1 4.082 0.020 . 1 . . . . . 25 PHE HA . 51471 1 267 . 1 . 1 26 26 PHE HB2 H 1 3.231 0.020 . 2 . . . . . 25 PHE HB2 . 51471 1 268 . 1 . 1 26 26 PHE HB3 H 1 2.486 0.020 . 2 . . . . . 25 PHE HB3 . 51471 1 269 . 1 . 1 26 26 PHE C C 13 176.655 0.3 . 1 . . . . . 25 PHE C . 51471 1 270 . 1 . 1 26 26 PHE CA C 13 59.897 0.3 . 1 . . . . . 25 PHE CA . 51471 1 271 . 1 . 1 26 26 PHE CB C 13 37.129 0.3 . 1 . . . . . 25 PHE CB . 51471 1 272 . 1 . 1 26 26 PHE N N 15 115.426 0.3 . 1 . . . . . 25 PHE N . 51471 1 273 . 1 . 1 27 27 GLU H H 1 7.665 0.020 . 1 . . . . . 26 GLU H . 51471 1 274 . 1 . 1 27 27 GLU HA H 1 4.166 0.020 . 1 . . . . . 26 GLU HA . 51471 1 275 . 1 . 1 27 27 GLU HB2 H 1 1.741 0.020 . 2 . . . . . 26 GLU HB2 . 51471 1 276 . 1 . 1 27 27 GLU HB3 H 1 1.901 0.020 . 2 . . . . . 26 GLU HB3 . 51471 1 277 . 1 . 1 27 27 GLU HG2 H 1 2.129 0.020 . 2 . . . . . 26 GLU HG2 . 51471 1 278 . 1 . 1 27 27 GLU HG3 H 1 2.260 0.020 . 2 . . . . . 26 GLU HG3 . 51471 1 279 . 1 . 1 27 27 GLU C C 13 175.980 0.3 . 1 . . . . . 26 GLU C . 51471 1 280 . 1 . 1 27 27 GLU CA C 13 56.751 0.3 . 1 . . . . . 26 GLU CA . 51471 1 281 . 1 . 1 27 27 GLU CB C 13 30.635 0.3 . 1 . . . . . 26 GLU CB . 51471 1 282 . 1 . 1 27 27 GLU CG C 13 34.721 0.3 . 1 . . . . . 26 GLU CG . 51471 1 283 . 1 . 1 27 27 GLU N N 15 117.823 0.3 . 1 . . . . . 26 GLU N . 51471 1 284 . 1 . 1 28 28 SER H H 1 7.231 0.020 . 1 . . . . . 27 SER H . 51471 1 285 . 1 . 1 28 28 SER HA H 1 4.054 0.020 . 1 . . . . . 27 SER HA . 51471 1 286 . 1 . 1 28 28 SER HB2 H 1 3.431 0.020 . 2 . . . . . 27 SER HB2 . 51471 1 287 . 1 . 1 28 28 SER HB3 H 1 3.804 0.020 . 2 . . . . . 27 SER HB3 . 51471 1 288 . 1 . 1 28 28 SER C C 13 177.289 0.3 . 1 . . . . . 27 SER C . 51471 1 289 . 1 . 1 28 28 SER CA C 13 59.331 0.3 . 1 . . . . . 27 SER CA . 51471 1 290 . 1 . 1 28 28 SER CB C 13 64.410 0.3 . 1 . . . . . 27 SER CB . 51471 1 291 . 1 . 1 28 28 SER N N 15 110.395 0.3 . 1 . . . . . 27 SER N . 51471 1 292 . 1 . 1 29 29 THR H H 1 9.312 0.020 . 1 . . . . . 28 THR H . 51471 1 293 . 1 . 1 29 29 THR HA H 1 4.543 0.020 . 1 . . . . . 28 THR HA . 51471 1 294 . 1 . 1 29 29 THR HB H 1 4.689 0.020 . 1 . . . . . 28 THR HB . 51471 1 295 . 1 . 1 29 29 THR HG21 H 1 1.193 0.020 . 1 . . . . . 28 THR HG2 . 51471 1 296 . 1 . 1 29 29 THR HG22 H 1 1.193 0.020 . 1 . . . . . 28 THR HG2 . 51471 1 297 . 1 . 1 29 29 THR HG23 H 1 1.193 0.020 . 1 . . . . . 28 THR HG2 . 51471 1 298 . 1 . 1 29 29 THR C C 13 175.178 0.3 . 1 . . . . . 28 THR C . 51471 1 299 . 1 . 1 29 29 THR CA C 13 61.329 0.3 . 1 . . . . . 28 THR CA . 51471 1 300 . 1 . 1 29 29 THR CB C 13 68.369 0.3 . 1 . . . . . 28 THR CB . 51471 1 301 . 1 . 1 29 29 THR CG2 C 13 21.197 0.3 . 1 . . . . . 28 THR CG2 . 51471 1 302 . 1 . 1 29 29 THR N N 15 118.391 0.3 . 1 . . . . . 28 THR N . 51471 1 303 . 1 . 1 30 30 CYS H H 1 8.950 0.020 . 1 . . . . . 29 CYS H . 51471 1 304 . 1 . 1 30 30 CYS HA H 1 4.071 0.020 . 1 . . . . . 29 CYS HA . 51471 1 305 . 1 . 1 30 30 CYS HB2 H 1 2.988 0.020 . 2 . . . . . 29 CYS HB2 . 51471 1 306 . 1 . 1 30 30 CYS HB3 H 1 2.427 0.020 . 2 . . . . . 29 CYS HB3 . 51471 1 307 . 1 . 1 30 30 CYS C C 13 173.715 0.3 . 1 . . . . . 29 CYS C . 51471 1 308 . 1 . 1 30 30 CYS CA C 13 61.641 0.3 . 1 . . . . . 29 CYS CA . 51471 1 309 . 1 . 1 30 30 CYS CB C 13 28.626 0.3 . 1 . . . . . 29 CYS CB . 51471 1 310 . 1 . 1 30 30 CYS N N 15 121.699 0.3 . 1 . . . . . 29 CYS N . 51471 1 311 . 1 . 1 31 31 THR H H 1 7.635 0.020 . 1 . . . . . 30 THR H . 51471 1 312 . 1 . 1 31 31 THR HA H 1 3.627 0.020 . 1 . . . . . 30 THR HA . 51471 1 313 . 1 . 1 31 31 THR HB H 1 4.690 0.020 . 1 . . . . . 30 THR HB . 51471 1 314 . 1 . 1 31 31 THR HG21 H 1 0.831 0.020 . 1 . . . . . 30 THR HG2 . 51471 1 315 . 1 . 1 31 31 THR HG22 H 1 0.831 0.020 . 1 . . . . . 30 THR HG2 . 51471 1 316 . 1 . 1 31 31 THR HG23 H 1 0.831 0.020 . 1 . . . . . 30 THR HG2 . 51471 1 317 . 1 . 1 31 31 THR CA C 13 67.028 0.3 . 1 . . . . . 30 THR CA . 51471 1 318 . 1 . 1 31 31 THR CB C 13 68.605 0.3 . 1 . . . . . 30 THR CB . 51471 1 319 . 1 . 1 31 31 THR CG2 C 13 21.358 0.3 . 1 . . . . . 30 THR CG2 . 51471 1 320 . 1 . 1 31 31 THR N N 15 119.699 0.3 . 1 . . . . . 30 THR N . 51471 1 321 . 1 . 1 32 32 TRP H H 1 9.114 0.020 . 1 . . . . . 31 TRP H . 51471 1 322 . 1 . 1 32 32 TRP HA H 1 4.689 0.020 . 1 . . . . . 31 TRP HA . 51471 1 323 . 1 . 1 32 32 TRP HD1 H 1 7.136 0.020 . 1 . . . . . 31 TRP HD1 . 51471 1 324 . 1 . 1 32 32 TRP HE1 H 1 10.393 0.020 . 1 . . . . . 31 TRP HE1 . 51471 1 325 . 1 . 1 32 32 TRP HZ2 H 1 7.548 0.020 . 1 . . . . . 31 TRP HZ2 . 51471 1 326 . 1 . 1 32 32 TRP HZ3 H 1 6.547 0.020 . 1 . . . . . 31 TRP HZ3 . 51471 1 327 . 1 . 1 32 32 TRP HH2 H 1 7.004 0.020 . 1 . . . . . 31 TRP HH2 . 51471 1 328 . 1 . 1 32 32 TRP C C 13 175.826 0.3 . 1 . . . . . 31 TRP C . 51471 1 329 . 1 . 1 32 32 TRP CA C 13 55.394 0.3 . 1 . . . . . 31 TRP CA . 51471 1 330 . 1 . 1 32 32 TRP CB C 13 30.793 0.3 . 1 . . . . . 31 TRP CB . 51471 1 331 . 1 . 1 32 32 TRP CD1 C 13 127.624 0.3 . 1 . . . . . 31 TRP CD1 . 51471 1 332 . 1 . 1 32 32 TRP CZ2 C 13 113.940 0.3 . 1 . . . . . 31 TRP CZ2 . 51471 1 333 . 1 . 1 32 32 TRP N N 15 117.960 0.3 . 1 . . . . . 31 TRP N . 51471 1 334 . 1 . 1 32 32 TRP NE1 N 15 128.952 0.3 . 1 . . . . . 31 TRP NE1 . 51471 1 335 . 1 . 1 33 33 LEU H H 1 7.365 0.020 . 1 . . . . . 32 LEU H . 51471 1 336 . 1 . 1 33 33 LEU HA H 1 4.917 0.020 . 1 . . . . . 32 LEU HA . 51471 1 337 . 1 . 1 33 33 LEU HB2 H 1 1.838 0.020 . 2 . . . . . 32 LEU HB2 . 51471 1 338 . 1 . 1 33 33 LEU HB3 H 1 1.426 0.020 . 2 . . . . . 32 LEU HB3 . 51471 1 339 . 1 . 1 33 33 LEU HG H 1 0.806 0.020 . 1 . . . . . 32 LEU HG . 51471 1 340 . 1 . 1 33 33 LEU HD11 H 1 0.756 0.020 . 1 . . . . . 32 LEU HD1 . 51471 1 341 . 1 . 1 33 33 LEU HD12 H 1 0.756 0.020 . 1 . . . . . 32 LEU HD1 . 51471 1 342 . 1 . 1 33 33 LEU HD13 H 1 0.756 0.020 . 1 . . . . . 32 LEU HD1 . 51471 1 343 . 1 . 1 33 33 LEU HD21 H 1 0.725 0.020 . 1 . . . . . 32 LEU HD2 . 51471 1 344 . 1 . 1 33 33 LEU HD22 H 1 0.725 0.020 . 1 . . . . . 32 LEU HD2 . 51471 1 345 . 1 . 1 33 33 LEU HD23 H 1 0.725 0.020 . 1 . . . . . 32 LEU HD2 . 51471 1 346 . 1 . 1 33 33 LEU C C 13 175.183 0.3 . 1 . . . . . 32 LEU C . 51471 1 347 . 1 . 1 33 33 LEU CA C 13 53.410 0.3 . 1 . . . . . 32 LEU CA . 51471 1 348 . 1 . 1 33 33 LEU CB C 13 44.739 0.3 . 1 . . . . . 32 LEU CB . 51471 1 349 . 1 . 1 33 33 LEU CG C 13 26.286 0.3 . 1 . . . . . 32 LEU CG . 51471 1 350 . 1 . 1 33 33 LEU CD1 C 13 22.396 0.3 . 1 . . . . . 32 LEU CD1 . 51471 1 351 . 1 . 1 33 33 LEU CD2 C 13 21.969 0.3 . 1 . . . . . 32 LEU CD2 . 51471 1 352 . 1 . 1 33 33 LEU N N 15 118.194 0.3 . 1 . . . . . 32 LEU N . 51471 1 353 . 1 . 1 34 34 VAL H H 1 8.208 0.020 . 1 . . . . . 33 VAL H . 51471 1 354 . 1 . 1 34 34 VAL HA H 1 4.500 0.020 . 1 . . . . . 33 VAL HA . 51471 1 355 . 1 . 1 34 34 VAL HB H 1 1.972 0.020 . 1 . . . . . 33 VAL HB . 51471 1 356 . 1 . 1 34 34 VAL HG11 H 1 -0.025 0.020 . 1 . . . . . 33 VAL HG1 . 51471 1 357 . 1 . 1 34 34 VAL HG12 H 1 -0.025 0.020 . 1 . . . . . 33 VAL HG1 . 51471 1 358 . 1 . 1 34 34 VAL HG13 H 1 -0.025 0.020 . 1 . . . . . 33 VAL HG1 . 51471 1 359 . 1 . 1 34 34 VAL HG21 H 1 0.665 0.020 . 1 . . . . . 33 VAL HG2 . 51471 1 360 . 1 . 1 34 34 VAL HG22 H 1 0.665 0.020 . 1 . . . . . 33 VAL HG2 . 51471 1 361 . 1 . 1 34 34 VAL HG23 H 1 0.665 0.020 . 1 . . . . . 33 VAL HG2 . 51471 1 362 . 1 . 1 34 34 VAL C C 13 171.884 0.3 . 1 . . . . . 33 VAL C . 51471 1 363 . 1 . 1 34 34 VAL CA C 13 61.477 0.3 . 1 . . . . . 33 VAL CA . 51471 1 364 . 1 . 1 34 34 VAL CB C 13 32.025 0.3 . 1 . . . . . 33 VAL CB . 51471 1 365 . 1 . 1 34 34 VAL CG1 C 13 19.947 0.3 . 1 . . . . . 33 VAL CG1 . 51471 1 366 . 1 . 1 34 34 VAL CG2 C 13 21.848 0.3 . 1 . . . . . 33 VAL CG2 . 51471 1 367 . 1 . 1 34 34 VAL N N 15 122.610 0.3 . 1 . . . . . 33 VAL N . 51471 1 368 . 1 . 1 35 35 ASN H H 1 8.627 0.020 . 1 . . . . . 34 ASN H . 51471 1 369 . 1 . 1 35 35 ASN HA H 1 4.096 0.020 . 1 . . . . . 34 ASN HA . 51471 1 370 . 1 . 1 35 35 ASN HB2 H 1 0.235 0.020 . 2 . . . . . 34 ASN HB2 . 51471 1 371 . 1 . 1 35 35 ASN HB3 H 1 2.056 0.020 . 2 . . . . . 34 ASN HB3 . 51471 1 372 . 1 . 1 35 35 ASN HD21 H 1 6.927 0.020 . 1 . . . . . 34 ASN HD21 . 51471 1 373 . 1 . 1 35 35 ASN HD22 H 1 7.597 0.020 . 1 . . . . . 34 ASN HD22 . 51471 1 374 . 1 . 1 35 35 ASN C C 13 174.426 0.3 . 1 . . . . . 34 ASN C . 51471 1 375 . 1 . 1 35 35 ASN CA C 13 50.324 0.3 . 1 . . . . . 34 ASN CA . 51471 1 376 . 1 . 1 35 35 ASN CB C 13 39.113 0.3 . 1 . . . . . 34 ASN CB . 51471 1 377 . 1 . 1 35 35 ASN N N 15 120.844 0.3 . 1 . . . . . 34 ASN N . 51471 1 378 . 1 . 1 35 35 ASN ND2 N 15 112.794 0.3 . 1 . . . . . 34 ASN ND2 . 51471 1 379 . 1 . 1 36 36 ALA H H 1 6.593 0.020 . 1 . . . . . 35 ALA H . 51471 1 380 . 1 . 1 36 36 ALA HA H 1 4.052 0.020 . 1 . . . . . 35 ALA HA . 51471 1 381 . 1 . 1 36 36 ALA HB1 H 1 1.429 0.020 . 1 . . . . . 35 ALA HB . 51471 1 382 . 1 . 1 36 36 ALA HB2 H 1 1.429 0.020 . 1 . . . . . 35 ALA HB . 51471 1 383 . 1 . 1 36 36 ALA HB3 H 1 1.429 0.020 . 1 . . . . . 35 ALA HB . 51471 1 384 . 1 . 1 36 36 ALA C C 13 177.392 0.3 . 1 . . . . . 35 ALA C . 51471 1 385 . 1 . 1 36 36 ALA CA C 13 50.787 0.3 . 1 . . . . . 35 ALA CA . 51471 1 386 . 1 . 1 36 36 ALA CB C 13 19.051 0.3 . 1 . . . . . 35 ALA CB . 51471 1 387 . 1 . 1 36 36 ALA N N 15 130.868 0.3 . 1 . . . . . 35 ALA N . 51471 1 388 . 1 . 1 37 37 SER HA H 1 4.674 0.020 . 1 . . . . . 36 SER HA . 51471 1 389 . 1 . 1 37 37 SER HB2 H 1 3.986 0.020 . 2 . . . . . 36 SER HB2 . 51471 1 390 . 1 . 1 37 37 SER HB3 H 1 3.869 0.020 . 2 . . . . . 36 SER HB3 . 51471 1 391 . 1 . 1 37 37 SER CA C 13 56.054 0.3 . 1 . . . . . 36 SER CA . 51471 1 392 . 1 . 1 37 37 SER CB C 13 65.362 0.3 . 1 . . . . . 36 SER CB . 51471 1 393 . 1 . 1 38 38 ASN HA H 1 4.021 0.020 . 1 . . . . . 37 ASN HA . 51471 1 394 . 1 . 1 38 38 ASN HB2 H 1 2.845 0.020 . 2 . . . . . 37 ASN HB2 . 51471 1 395 . 1 . 1 38 38 ASN HB3 H 1 2.702 0.020 . 2 . . . . . 37 ASN HB3 . 51471 1 396 . 1 . 1 38 38 ASN C C 13 176.966 0.3 . 1 . . . . . 37 ASN C . 51471 1 397 . 1 . 1 38 38 ASN CA C 13 51.049 0.3 . 1 . . . . . 37 ASN CA . 51471 1 398 . 1 . 1 38 38 ASN CB C 13 39.165 0.3 . 1 . . . . . 37 ASN CB . 51471 1 399 . 1 . 1 38 38 ASN N N 15 123.065 0.3 . 1 . . . . . 37 ASN N . 51471 1 400 . 1 . 1 39 39 VAL H H 1 8.345 0.020 . 1 . . . . . 38 VAL H . 51471 1 401 . 1 . 1 39 39 VAL HA H 1 3.553 0.020 . 1 . . . . . 38 VAL HA . 51471 1 402 . 1 . 1 39 39 VAL HB H 1 2.070 0.020 . 1 . . . . . 38 VAL HB . 51471 1 403 . 1 . 1 39 39 VAL HG11 H 1 0.957 0.020 . 1 . . . . . 38 VAL HG1 . 51471 1 404 . 1 . 1 39 39 VAL HG12 H 1 0.957 0.020 . 1 . . . . . 38 VAL HG1 . 51471 1 405 . 1 . 1 39 39 VAL HG13 H 1 0.957 0.020 . 1 . . . . . 38 VAL HG1 . 51471 1 406 . 1 . 1 39 39 VAL HG21 H 1 0.995 0.020 . 1 . . . . . 38 VAL HG2 . 51471 1 407 . 1 . 1 39 39 VAL HG22 H 1 0.995 0.020 . 1 . . . . . 38 VAL HG2 . 51471 1 408 . 1 . 1 39 39 VAL HG23 H 1 0.995 0.020 . 1 . . . . . 38 VAL HG2 . 51471 1 409 . 1 . 1 39 39 VAL C C 13 175.408 0.3 . 1 . . . . . 38 VAL C . 51471 1 410 . 1 . 1 39 39 VAL CA C 13 65.720 0.3 . 1 . . . . . 38 VAL CA . 51471 1 411 . 1 . 1 39 39 VAL CB C 13 31.962 0.3 . 1 . . . . . 38 VAL CB . 51471 1 412 . 1 . 1 39 39 VAL CG1 C 13 20.675 0.3 . 1 . . . . . 38 VAL CG1 . 51471 1 413 . 1 . 1 39 39 VAL CG2 C 13 21.174 0.3 . 1 . . . . . 38 VAL CG2 . 51471 1 414 . 1 . 1 39 39 VAL N N 15 117.271 0.3 . 1 . . . . . 38 VAL N . 51471 1 415 . 1 . 1 40 40 ASP H H 1 7.413 0.020 . 1 . . . . . 39 ASP H . 51471 1 416 . 1 . 1 40 40 ASP HA H 1 4.623 0.020 . 1 . . . . . 39 ASP HA . 51471 1 417 . 1 . 1 40 40 ASP HB2 H 1 2.438 0.020 . 2 . . . . . 39 ASP HB2 . 51471 1 418 . 1 . 1 40 40 ASP HB3 H 1 2.758 0.020 . 2 . . . . . 39 ASP HB3 . 51471 1 419 . 1 . 1 40 40 ASP C C 13 174.672 0.3 . 1 . . . . . 39 ASP C . 51471 1 420 . 1 . 1 40 40 ASP CA C 13 54.556 0.3 . 1 . . . . . 39 ASP CA . 51471 1 421 . 1 . 1 40 40 ASP CB C 13 41.343 0.3 . 1 . . . . . 39 ASP CB . 51471 1 422 . 1 . 1 40 40 ASP N N 15 116.349 0.3 . 1 . . . . . 39 ASP N . 51471 1 423 . 1 . 1 41 41 HIS H H 1 8.023 0.020 . 1 . . . . . 40 HIS H . 51471 1 424 . 1 . 1 41 41 HIS HA H 1 3.938 0.020 . 1 . . . . . 40 HIS HA . 51471 1 425 . 1 . 1 41 41 HIS HB2 H 1 2.891 0.020 . 2 . . . . . 40 HIS HB2 . 51471 1 426 . 1 . 1 41 41 HIS HB3 H 1 3.493 0.020 . 2 . . . . . 40 HIS HB3 . 51471 1 427 . 1 . 1 41 41 HIS HD2 H 1 7.077 0.020 . 1 . . . . . 40 HIS HD2 . 51471 1 428 . 1 . 1 41 41 HIS HE1 H 1 6.789 0.020 . 1 . . . . . 40 HIS HE1 . 51471 1 429 . 1 . 1 41 41 HIS C C 13 173.695 0.3 . 1 . . . . . 40 HIS C . 51471 1 430 . 1 . 1 41 41 HIS CA C 13 56.547 0.3 . 1 . . . . . 40 HIS CA . 51471 1 431 . 1 . 1 41 41 HIS CB C 13 26.695 0.3 . 1 . . . . . 40 HIS CB . 51471 1 432 . 1 . 1 41 41 HIS CD2 C 13 118.727 0.3 . 1 . . . . . 40 HIS CD2 . 51471 1 433 . 1 . 1 41 41 HIS N N 15 117.271 0.3 . 1 . . . . . 40 HIS N . 51471 1 434 . 1 . 1 42 42 ARG H H 1 8.190 0.020 . 1 . . . . . 41 ARG H . 51471 1 435 . 1 . 1 42 42 ARG HA H 1 4.876 0.020 . 1 . . . . . 41 ARG HA . 51471 1 436 . 1 . 1 42 42 ARG HB2 H 1 1.643 0.020 . 2 . . . . . 41 ARG HB2 . 51471 1 437 . 1 . 1 42 42 ARG HB3 H 1 1.769 0.020 . 2 . . . . . 41 ARG HB3 . 51471 1 438 . 1 . 1 42 42 ARG C C 13 174.835 0.3 . 1 . . . . . 41 ARG C . 51471 1 439 . 1 . 1 42 42 ARG CA C 13 53.250 0.3 . 1 . . . . . 41 ARG CA . 51471 1 440 . 1 . 1 42 42 ARG CB C 13 30.185 0.3 . 1 . . . . . 41 ARG CB . 51471 1 441 . 1 . 1 42 42 ARG CG C 13 26.638 0.3 . 1 . . . . . 41 ARG CG . 51471 1 442 . 1 . 1 42 42 ARG CD C 13 42.916 0.3 . 1 . . . . . 41 ARG CD . 51471 1 443 . 1 . 1 42 42 ARG N N 15 117.882 0.3 . 1 . . . . . 41 ARG N . 51471 1 444 . 1 . 1 43 43 PRO HA H 1 4.411 0.020 . 1 . . . . . 42 PRO HA . 51471 1 445 . 1 . 1 43 43 PRO HB2 H 1 2.273 0.020 . 2 . . . . . 42 PRO HB2 . 51471 1 446 . 1 . 1 43 43 PRO HB3 H 1 1.928 0.020 . 2 . . . . . 42 PRO HB3 . 51471 1 447 . 1 . 1 43 43 PRO HD2 H 1 3.818 0.020 . 2 . . . . . 42 PRO HD2 . 51471 1 448 . 1 . 1 43 43 PRO HD3 H 1 3.754 0.020 . 2 . . . . . 42 PRO HD3 . 51471 1 449 . 1 . 1 43 43 PRO C C 13 177.600 0.3 . 1 . . . . . 42 PRO C . 51471 1 450 . 1 . 1 43 43 PRO CA C 13 63.501 0.3 . 1 . . . . . 42 PRO CA . 51471 1 451 . 1 . 1 43 43 PRO CB C 13 31.913 0.3 . 1 . . . . . 42 PRO CB . 51471 1 452 . 1 . 1 43 43 PRO CG C 13 27.207 0.3 . 1 . . . . . 42 PRO CG . 51471 1 453 . 1 . 1 43 43 PRO CD C 13 50.621 0.3 . 1 . . . . . 42 PRO CD . 51471 1 454 . 1 . 1 44 44 GLY H H 1 8.575 0.020 . 1 . . . . . 43 GLY H . 51471 1 455 . 1 . 1 44 44 GLY HA2 H 1 3.956 0.020 . 2 . . . . . 43 GLY HA2 . 51471 1 456 . 1 . 1 44 44 GLY HA3 H 1 4.783 0.020 . 2 . . . . . 43 GLY HA3 . 51471 1 457 . 1 . 1 44 44 GLY C C 13 174.839 0.3 . 1 . . . . . 43 GLY C . 51471 1 458 . 1 . 1 44 44 GLY CA C 13 45.444 0.3 . 1 . . . . . 43 GLY CA . 51471 1 459 . 1 . 1 44 44 GLY N N 15 110.218 0.3 . 1 . . . . . 43 GLY N . 51471 1 460 . 1 . 1 45 45 GLY H H 1 8.284 0.020 . 1 . . . . . 44 GLY H . 51471 1 461 . 1 . 1 45 45 GLY C C 13 174.687 0.3 . 1 . . . . . 44 GLY C . 51471 1 462 . 1 . 1 45 45 GLY CA C 13 45.241 0.3 . 1 . . . . . 44 GLY CA . 51471 1 463 . 1 . 1 45 45 GLY N N 15 108.525 0.3 . 1 . . . . . 44 GLY N . 51471 1 464 . 1 . 1 46 46 GLY H H 1 8.377 0.020 . 1 . . . . . 45 GLY H . 51471 1 465 . 1 . 1 46 46 GLY CA C 13 45.375 0.3 . 1 . . . . . 45 GLY CA . 51471 1 466 . 1 . 1 46 46 GLY N N 15 108.867 0.3 . 1 . . . . . 45 GLY N . 51471 1 467 . 1 . 1 47 47 LEU HA H 1 4.328 0.020 . 1 . . . . . 46 LEU HA . 51471 1 468 . 1 . 1 47 47 LEU HB2 H 1 1.602 0.020 . 2 . . . . . 46 LEU HB2 . 51471 1 469 . 1 . 1 47 47 LEU HB3 H 1 1.562 0.020 . 2 . . . . . 46 LEU HB3 . 51471 1 470 . 1 . 1 47 47 LEU HG H 1 0.643 0.020 . 1 . . . . . 46 LEU HG . 51471 1 471 . 1 . 1 47 47 LEU HD11 H 1 1.034 0.020 . 1 . . . . . 46 LEU HD1 . 51471 1 472 . 1 . 1 47 47 LEU HD12 H 1 1.034 0.020 . 1 . . . . . 46 LEU HD1 . 51471 1 473 . 1 . 1 47 47 LEU HD13 H 1 1.034 0.020 . 1 . . . . . 46 LEU HD1 . 51471 1 474 . 1 . 1 47 47 LEU HD21 H 1 0.759 0.020 . 1 . . . . . 46 LEU HD2 . 51471 1 475 . 1 . 1 47 47 LEU HD22 H 1 0.759 0.020 . 1 . . . . . 46 LEU HD2 . 51471 1 476 . 1 . 1 47 47 LEU HD23 H 1 0.759 0.020 . 1 . . . . . 46 LEU HD2 . 51471 1 477 . 1 . 1 47 47 LEU CA C 13 57.648 0.3 . 1 . . . . . 46 LEU CA . 51471 1 478 . 1 . 1 47 47 LEU CB C 13 42.052 0.3 . 1 . . . . . 46 LEU CB . 51471 1 479 . 1 . 1 47 47 LEU CG C 13 27.430 0.3 . 1 . . . . . 46 LEU CG . 51471 1 480 . 1 . 1 47 47 LEU CD1 C 13 22.668 0.3 . 1 . . . . . 46 LEU CD1 . 51471 1 481 . 1 . 1 47 47 LEU CD2 C 13 22.241 0.3 . 1 . . . . . 46 LEU CD2 . 51471 1 482 . 1 . 1 48 48 CYS HA H 1 4.450 0.020 . 1 . . . . . 47 CYS HA . 51471 1 483 . 1 . 1 48 48 CYS HB2 H 1 3.226 0.020 . 2 . . . . . 47 CYS HB2 . 51471 1 484 . 1 . 1 48 48 CYS HB3 H 1 3.111 0.020 . 2 . . . . . 47 CYS HB3 . 51471 1 485 . 1 . 1 48 48 CYS CA C 13 57.037 0.3 . 1 . . . . . 47 CYS CA . 51471 1 486 . 1 . 1 48 48 CYS CB C 13 29.471 0.3 . 1 . . . . . 47 CYS CB . 51471 1 487 . 1 . 1 49 49 HIS HA H 1 4.443 0.020 . 1 . . . . . 48 HIS HA . 51471 1 488 . 1 . 1 49 49 HIS HB2 H 1 3.808 0.020 . 2 . . . . . 48 HIS HB2 . 51471 1 489 . 1 . 1 49 49 HIS HB3 H 1 3.430 0.020 . 2 . . . . . 48 HIS HB3 . 51471 1 490 . 1 . 1 49 49 HIS C C 13 176.863 0.3 . 1 . . . . . 48 HIS C . 51471 1 491 . 1 . 1 49 49 HIS CA C 13 58.969 0.3 . 1 . . . . . 48 HIS CA . 51471 1 492 . 1 . 1 49 49 HIS CB C 13 27.589 0.3 . 1 . . . . . 48 HIS CB . 51471 1 493 . 1 . 1 50 50 ALA H H 1 7.853 0.020 . 1 . . . . . 49 ALA H . 51471 1 494 . 1 . 1 50 50 ALA HA H 1 4.277 0.020 . 1 . . . . . 49 ALA HA . 51471 1 495 . 1 . 1 50 50 ALA HB1 H 1 1.794 0.020 . 1 . . . . . 49 ALA HB . 51471 1 496 . 1 . 1 50 50 ALA HB2 H 1 1.794 0.020 . 1 . . . . . 49 ALA HB . 51471 1 497 . 1 . 1 50 50 ALA HB3 H 1 1.794 0.020 . 1 . . . . . 49 ALA HB . 51471 1 498 . 1 . 1 50 50 ALA C C 13 181.441 0.3 . 1 . . . . . 49 ALA C . 51471 1 499 . 1 . 1 50 50 ALA CA C 13 55.081 0.3 . 1 . . . . . 49 ALA CA . 51471 1 500 . 1 . 1 50 50 ALA CB C 13 18.232 0.3 . 1 . . . . . 49 ALA CB . 51471 1 501 . 1 . 1 50 50 ALA N N 15 122.691 0.3 . 1 . . . . . 49 ALA N . 51471 1 502 . 1 . 1 51 51 PHE HA H 1 4.129 0.020 . 1 . . . . . 50 PHE HA . 51471 1 503 . 1 . 1 51 51 PHE HB2 H 1 3.827 0.020 . 2 . . . . . 50 PHE HB2 . 51471 1 504 . 1 . 1 51 51 PHE HB3 H 1 3.177 0.020 . 2 . . . . . 50 PHE HB3 . 51471 1 505 . 1 . 1 51 51 PHE C C 13 178.067 0.3 . 1 . . . . . 50 PHE C . 51471 1 506 . 1 . 1 51 51 PHE CA C 13 63.883 0.3 . 1 . . . . . 50 PHE CA . 51471 1 507 . 1 . 1 51 51 PHE CB C 13 40.112 0.3 . 1 . . . . . 50 PHE CB . 51471 1 508 . 1 . 1 52 52 TYR H H 1 8.733 0.020 . 1 . . . . . 51 TYR H . 51471 1 509 . 1 . 1 52 52 TYR HA H 1 4.078 0.020 . 1 . . . . . 51 TYR HA . 51471 1 510 . 1 . 1 52 52 TYR HB2 H 1 2.477 0.020 . 2 . . . . . 51 TYR HB2 . 51471 1 511 . 1 . 1 52 52 TYR HB3 H 1 2.871 0.020 . 2 . . . . . 51 TYR HB3 . 51471 1 512 . 1 . 1 52 52 TYR C C 13 176.226 0.3 . 1 . . . . . 51 TYR C . 51471 1 513 . 1 . 1 52 52 TYR CA C 13 61.553 0.3 . 1 . . . . . 51 TYR CA . 51471 1 514 . 1 . 1 52 52 TYR CB C 13 37.412 0.3 . 1 . . . . . 51 TYR CB . 51471 1 515 . 1 . 1 52 52 TYR CD1 C 13 132.082 0.3 . 1 . . . . . 51 TYR CD1 . 51471 1 516 . 1 . 1 52 52 TYR CE1 C 13 119.332 0.3 . 1 . . . . . 51 TYR CE1 . 51471 1 517 . 1 . 1 52 52 TYR N N 15 121.432 0.3 . 1 . . . . . 51 TYR N . 51471 1 518 . 1 . 1 53 53 GLN H H 1 8.033 0.020 . 1 . . . . . 52 GLN H . 51471 1 519 . 1 . 1 53 53 GLN HA H 1 3.602 0.020 . 1 . . . . . 52 GLN HA . 51471 1 520 . 1 . 1 53 53 GLN HB2 H 1 1.778 0.020 . 2 . . . . . 52 GLN HB2 . 51471 1 521 . 1 . 1 53 53 GLN HB3 H 1 1.868 0.020 . 2 . . . . . 52 GLN HB3 . 51471 1 522 . 1 . 1 53 53 GLN HG2 H 1 2.070 0.020 . 2 . . . . . 52 GLN HG2 . 51471 1 523 . 1 . 1 53 53 GLN HG3 H 1 1.971 0.020 . 2 . . . . . 52 GLN HG3 . 51471 1 524 . 1 . 1 53 53 GLN HE21 H 1 6.630 0.020 . 1 . . . . . 52 GLN HE21 . 51471 1 525 . 1 . 1 53 53 GLN HE22 H 1 6.991 0.020 . 1 . . . . . 52 GLN HE22 . 51471 1 526 . 1 . 1 53 53 GLN C C 13 178.124 0.3 . 1 . . . . . 52 GLN C . 51471 1 527 . 1 . 1 53 53 GLN CA C 13 58.232 0.3 . 1 . . . . . 52 GLN CA . 51471 1 528 . 1 . 1 53 53 GLN CB C 13 29.242 0.3 . 1 . . . . . 52 GLN CB . 51471 1 529 . 1 . 1 53 53 GLN CG C 13 34.097 0.3 . 1 . . . . . 52 GLN CG . 51471 1 530 . 1 . 1 53 53 GLN N N 15 115.628 0.3 . 1 . . . . . 52 GLN N . 51471 1 531 . 1 . 1 53 53 GLN NE2 N 15 111.615 0.3 . 1 . . . . . 52 GLN NE2 . 51471 1 532 . 1 . 1 54 54 ARG H H 1 7.322 0.020 . 1 . . . . . 53 ARG H . 51471 1 533 . 1 . 1 54 54 ARG HA H 1 3.632 0.020 . 1 . . . . . 53 ARG HA . 51471 1 534 . 1 . 1 54 54 ARG HB2 H 1 0.263 0.020 . 2 . . . . . 53 ARG HB2 . 51471 1 535 . 1 . 1 54 54 ARG HB3 H 1 0.623 0.020 . 2 . . . . . 53 ARG HB3 . 51471 1 536 . 1 . 1 54 54 ARG HG2 H 1 0.997 0.020 . 2 . . . . . 53 ARG HG2 . 51471 1 537 . 1 . 1 54 54 ARG HG3 H 1 0.765 0.020 . 2 . . . . . 53 ARG HG3 . 51471 1 538 . 1 . 1 54 54 ARG HD2 H 1 1.882 0.020 . 2 . . . . . 53 ARG HD2 . 51471 1 539 . 1 . 1 54 54 ARG HD3 H 1 1.580 0.020 . 2 . . . . . 53 ARG HD3 . 51471 1 540 . 1 . 1 54 54 ARG C C 13 176.737 0.3 . 1 . . . . . 53 ARG C . 51471 1 541 . 1 . 1 54 54 ARG CA C 13 57.944 0.3 . 1 . . . . . 53 ARG CA . 51471 1 542 . 1 . 1 54 54 ARG CB C 13 31.174 0.3 . 1 . . . . . 53 ARG CB . 51471 1 543 . 1 . 1 54 54 ARG CG C 13 27.621 0.3 . 1 . . . . . 53 ARG CG . 51471 1 544 . 1 . 1 54 54 ARG CD C 13 42.488 0.3 . 1 . . . . . 53 ARG CD . 51471 1 545 . 1 . 1 54 54 ARG N N 15 115.247 0.3 . 1 . . . . . 53 ARG N . 51471 1 546 . 1 . 1 55 55 TYR H H 1 8.668 0.020 . 1 . . . . . 54 TYR H . 51471 1 547 . 1 . 1 55 55 TYR HA H 1 5.176 0.020 . 1 . . . . . 54 TYR HA . 51471 1 548 . 1 . 1 55 55 TYR C C 13 173.839 0.3 . 1 . . . . . 54 TYR C . 51471 1 549 . 1 . 1 55 55 TYR CA C 13 52.966 0.3 . 1 . . . . . 54 TYR CA . 51471 1 550 . 1 . 1 55 55 TYR CB C 13 38.702 0.3 . 1 . . . . . 54 TYR CB . 51471 1 551 . 1 . 1 55 55 TYR CD1 C 13 134.493 0.3 . 1 . . . . . 54 TYR CD1 . 51471 1 552 . 1 . 1 55 55 TYR CE1 C 13 117.657 0.3 . 1 . . . . . 54 TYR CE1 . 51471 1 553 . 1 . 1 55 55 TYR N N 15 115.607 0.3 . 1 . . . . . 54 TYR N . 51471 1 554 . 1 . 1 56 56 PRO HA H 1 4.433 0.020 . 1 . . . . . 55 PRO HA . 51471 1 555 . 1 . 1 56 56 PRO HB2 H 1 1.859 0.020 . 2 . . . . . 55 PRO HB2 . 51471 1 556 . 1 . 1 56 56 PRO HB3 H 1 1.808 0.020 . 2 . . . . . 55 PRO HB3 . 51471 1 557 . 1 . 1 56 56 PRO HD2 H 1 3.200 0.020 . 2 . . . . . 55 PRO HD2 . 51471 1 558 . 1 . 1 56 56 PRO HD3 H 1 3.502 0.020 . 2 . . . . . 55 PRO HD3 . 51471 1 559 . 1 . 1 56 56 PRO C C 13 179.968 0.3 . 1 . . . . . 55 PRO C . 51471 1 560 . 1 . 1 56 56 PRO CA C 13 66.864 0.3 . 1 . . . . . 55 PRO CA . 51471 1 561 . 1 . 1 56 56 PRO CB C 13 30.068 0.3 . 1 . . . . . 55 PRO CB . 51471 1 562 . 1 . 1 56 56 PRO CG C 13 27.264 0.3 . 1 . . . . . 55 PRO CG . 51471 1 563 . 1 . 1 56 56 PRO CD C 13 50.076 0.3 . 1 . . . . . 55 PRO CD . 51471 1 564 . 1 . 1 57 57 ALA H H 1 8.830 0.020 . 1 . . . . . 56 ALA H . 51471 1 565 . 1 . 1 57 57 ALA HA H 1 4.400 0.020 . 1 . . . . . 56 ALA HA . 51471 1 566 . 1 . 1 57 57 ALA HB1 H 1 1.435 0.020 . 1 . . . . . 56 ALA HB . 51471 1 567 . 1 . 1 57 57 ALA HB2 H 1 1.435 0.020 . 1 . . . . . 56 ALA HB . 51471 1 568 . 1 . 1 57 57 ALA HB3 H 1 1.435 0.020 . 1 . . . . . 56 ALA HB . 51471 1 569 . 1 . 1 57 57 ALA C C 13 178.905 0.3 . 1 . . . . . 56 ALA C . 51471 1 570 . 1 . 1 57 57 ALA CA C 13 54.160 0.3 . 1 . . . . . 56 ALA CA . 51471 1 571 . 1 . 1 57 57 ALA CB C 13 18.383 0.3 . 1 . . . . . 56 ALA CB . 51471 1 572 . 1 . 1 57 57 ALA N N 15 120.143 0.3 . 1 . . . . . 56 ALA N . 51471 1 573 . 1 . 1 58 58 SER H H 1 8.588 0.020 . 1 . . . . . 57 SER H . 51471 1 574 . 1 . 1 58 58 SER HA H 1 5.056 0.020 . 1 . . . . . 57 SER HA . 51471 1 575 . 1 . 1 58 58 SER HB2 H 1 4.176 0.020 . 2 . . . . . 57 SER HB2 . 51471 1 576 . 1 . 1 58 58 SER HB3 H 1 4.061 0.020 . 2 . . . . . 57 SER HB3 . 51471 1 577 . 1 . 1 58 58 SER C C 13 175.813 0.3 . 1 . . . . . 57 SER C . 51471 1 578 . 1 . 1 58 58 SER CA C 13 61.185 0.3 . 1 . . . . . 57 SER CA . 51471 1 579 . 1 . 1 58 58 SER CB C 13 66.110 0.3 . 1 . . . . . 57 SER CB . 51471 1 580 . 1 . 1 58 58 SER N N 15 115.600 0.3 . 1 . . . . . 57 SER N . 51471 1 581 . 1 . 1 59 59 PHE H H 1 7.845 0.020 . 1 . . . . . 58 PHE H . 51471 1 582 . 1 . 1 59 59 PHE HA H 1 4.413 0.020 . 1 . . . . . 58 PHE HA . 51471 1 583 . 1 . 1 59 59 PHE HB2 H 1 3.495 0.020 . 2 . . . . . 58 PHE HB2 . 51471 1 584 . 1 . 1 59 59 PHE HB3 H 1 3.182 0.020 . 2 . . . . . 58 PHE HB3 . 51471 1 585 . 1 . 1 59 59 PHE C C 13 174.733 0.3 . 1 . . . . . 58 PHE C . 51471 1 586 . 1 . 1 59 59 PHE CA C 13 58.826 0.3 . 1 . . . . . 58 PHE CA . 51471 1 587 . 1 . 1 59 59 PHE CB C 13 38.347 0.3 . 1 . . . . . 58 PHE CB . 51471 1 588 . 1 . 1 59 59 PHE CD1 C 13 128.379 0.3 . 1 . . . . . 58 PHE CD1 . 51471 1 589 . 1 . 1 59 59 PHE N N 15 119.778 0.3 . 1 . . . . . 58 PHE N . 51471 1 590 . 1 . 1 60 60 ASP H H 1 7.358 0.020 . 1 . . . . . 59 ASP H . 51471 1 591 . 1 . 1 60 60 ASP HA H 1 4.587 0.020 . 1 . . . . . 59 ASP HA . 51471 1 592 . 1 . 1 60 60 ASP HB2 H 1 2.957 0.020 . 2 . . . . . 59 ASP HB2 . 51471 1 593 . 1 . 1 60 60 ASP HB3 H 1 2.756 0.020 . 2 . . . . . 59 ASP HB3 . 51471 1 594 . 1 . 1 60 60 ASP C C 13 176.226 0.3 . 1 . . . . . 59 ASP C . 51471 1 595 . 1 . 1 60 60 ASP CA C 13 53.411 0.3 . 1 . . . . . 59 ASP CA . 51471 1 596 . 1 . 1 60 60 ASP CB C 13 40.213 0.3 . 1 . . . . . 59 ASP CB . 51471 1 597 . 1 . 1 60 60 ASP N N 15 119.705 0.3 . 1 . . . . . 59 ASP N . 51471 1 598 . 1 . 1 61 61 ALA H H 1 8.707 0.020 . 1 . . . . . 60 ALA H . 51471 1 599 . 1 . 1 61 61 ALA HA H 1 1.596 0.020 . 1 . . . . . 60 ALA HA . 51471 1 600 . 1 . 1 61 61 ALA HB1 H 1 1.083 0.020 . 1 . . . . . 60 ALA HB . 51471 1 601 . 1 . 1 61 61 ALA HB2 H 1 1.083 0.020 . 1 . . . . . 60 ALA HB . 51471 1 602 . 1 . 1 61 61 ALA HB3 H 1 1.083 0.020 . 1 . . . . . 60 ALA HB . 51471 1 603 . 1 . 1 61 61 ALA C C 13 179.619 0.3 . 1 . . . . . 60 ALA C . 51471 1 604 . 1 . 1 61 61 ALA CA C 13 53.006 0.3 . 1 . . . . . 60 ALA CA . 51471 1 605 . 1 . 1 61 61 ALA CB C 13 17.964 0.3 . 1 . . . . . 60 ALA CB . 51471 1 606 . 1 . 1 61 61 ALA N N 15 133.225 0.3 . 1 . . . . . 60 ALA N . 51471 1 607 . 1 . 1 62 62 ALA H H 1 8.199 0.020 . 1 . . . . . 61 ALA H . 51471 1 608 . 1 . 1 62 62 ALA HA H 1 4.104 0.020 . 1 . . . . . 61 ALA HA . 51471 1 609 . 1 . 1 62 62 ALA HB1 H 1 1.425 0.020 . 1 . . . . . 61 ALA HB . 51471 1 610 . 1 . 1 62 62 ALA HB2 H 1 1.425 0.020 . 1 . . . . . 61 ALA HB . 51471 1 611 . 1 . 1 62 62 ALA HB3 H 1 1.425 0.020 . 1 . . . . . 61 ALA HB . 51471 1 612 . 1 . 1 62 62 ALA C C 13 178.990 0.3 . 1 . . . . . 61 ALA C . 51471 1 613 . 1 . 1 62 62 ALA CA C 13 53.849 0.3 . 1 . . . . . 61 ALA CA . 51471 1 614 . 1 . 1 62 62 ALA CB C 13 17.770 0.3 . 1 . . . . . 61 ALA CB . 51471 1 615 . 1 . 1 62 62 ALA N N 15 120.050 0.3 . 1 . . . . . 61 ALA N . 51471 1 616 . 1 . 1 63 63 SER H H 1 7.598 0.020 . 1 . . . . . 62 SER H . 51471 1 617 . 1 . 1 63 63 SER HA H 1 4.628 0.020 . 1 . . . . . 62 SER HA . 51471 1 618 . 1 . 1 63 63 SER HB2 H 1 4.088 0.020 . 2 . . . . . 62 SER HB2 . 51471 1 619 . 1 . 1 63 63 SER HB3 H 1 4.147 0.020 . 2 . . . . . 62 SER HB3 . 51471 1 620 . 1 . 1 63 63 SER C C 13 174.058 0.3 . 1 . . . . . 62 SER C . 51471 1 621 . 1 . 1 63 63 SER CA C 13 58.183 0.3 . 1 . . . . . 62 SER CA . 51471 1 622 . 1 . 1 63 63 SER CB C 13 63.872 0.3 . 1 . . . . . 62 SER CB . 51471 1 623 . 1 . 1 63 63 SER N N 15 111.183 0.3 . 1 . . . . . 62 SER N . 51471 1 624 . 1 . 1 64 64 PHE H H 1 7.350 0.020 . 1 . . . . . 63 PHE H . 51471 1 625 . 1 . 1 64 64 PHE HA H 1 5.148 0.020 . 1 . . . . . 63 PHE HA . 51471 1 626 . 1 . 1 64 64 PHE HB2 H 1 3.338 0.020 . 2 . . . . . 63 PHE HB2 . 51471 1 627 . 1 . 1 64 64 PHE HB3 H 1 3.186 0.020 . 2 . . . . . 63 PHE HB3 . 51471 1 628 . 1 . 1 64 64 PHE C C 13 177.494 0.3 . 1 . . . . . 63 PHE C . 51471 1 629 . 1 . 1 64 64 PHE CA C 13 55.087 0.3 . 1 . . . . . 63 PHE CA . 51471 1 630 . 1 . 1 64 64 PHE CB C 13 35.979 0.3 . 1 . . . . . 63 PHE CB . 51471 1 631 . 1 . 1 64 64 PHE CD1 C 13 129.927 0.3 . 1 . . . . . 63 PHE CD1 . 51471 1 632 . 1 . 1 64 64 PHE N N 15 120.378 0.3 . 1 . . . . . 63 PHE N . 51471 1 633 . 1 . 1 65 65 VAL H H 1 9.115 0.020 . 1 . . . . . 64 VAL H . 51471 1 634 . 1 . 1 65 65 VAL HA H 1 4.543 0.020 . 1 . . . . . 64 VAL HA . 51471 1 635 . 1 . 1 65 65 VAL HB H 1 2.394 0.020 . 1 . . . . . 64 VAL HB . 51471 1 636 . 1 . 1 65 65 VAL HG11 H 1 0.954 0.020 . 1 . . . . . 64 VAL HG1 . 51471 1 637 . 1 . 1 65 65 VAL HG12 H 1 0.954 0.020 . 1 . . . . . 64 VAL HG1 . 51471 1 638 . 1 . 1 65 65 VAL HG13 H 1 0.954 0.020 . 1 . . . . . 64 VAL HG1 . 51471 1 639 . 1 . 1 65 65 VAL HG21 H 1 1.138 0.020 . 1 . . . . . 64 VAL HG2 . 51471 1 640 . 1 . 1 65 65 VAL HG22 H 1 1.138 0.020 . 1 . . . . . 64 VAL HG2 . 51471 1 641 . 1 . 1 65 65 VAL HG23 H 1 1.138 0.020 . 1 . . . . . 64 VAL HG2 . 51471 1 642 . 1 . 1 65 65 VAL C C 13 175.853 0.3 . 1 . . . . . 64 VAL C . 51471 1 643 . 1 . 1 65 65 VAL CA C 13 61.699 0.3 . 1 . . . . . 64 VAL CA . 51471 1 644 . 1 . 1 65 65 VAL CB C 13 32.919 0.3 . 1 . . . . . 64 VAL CB . 51471 1 645 . 1 . 1 65 65 VAL CG1 C 13 18.773 0.3 . 1 . . . . . 64 VAL CG1 . 51471 1 646 . 1 . 1 65 65 VAL CG2 C 13 22.161 0.3 . 1 . . . . . 64 VAL CG2 . 51471 1 647 . 1 . 1 65 65 VAL N N 15 116.645 0.3 . 1 . . . . . 64 VAL N . 51471 1 648 . 1 . 1 66 66 MET H H 1 7.681 0.020 . 1 . . . . . 65 MET H . 51471 1 649 . 1 . 1 66 66 MET HA H 1 4.531 0.020 . 1 . . . . . 65 MET HA . 51471 1 650 . 1 . 1 66 66 MET HB2 H 1 1.676 0.020 . 2 . . . . . 65 MET HB2 . 51471 1 651 . 1 . 1 66 66 MET HB3 H 1 1.912 0.020 . 2 . . . . . 65 MET HB3 . 51471 1 652 . 1 . 1 66 66 MET HG2 H 1 2.205 0.020 . 2 . . . . . 65 MET HG2 . 51471 1 653 . 1 . 1 66 66 MET HG3 H 1 2.171 0.020 . 2 . . . . . 65 MET HG3 . 51471 1 654 . 1 . 1 66 66 MET C C 13 173.342 0.3 . 1 . . . . . 65 MET C . 51471 1 655 . 1 . 1 66 66 MET CA C 13 55.679 0.3 . 1 . . . . . 65 MET CA . 51471 1 656 . 1 . 1 66 66 MET CB C 13 35.970 0.3 . 1 . . . . . 65 MET CB . 51471 1 657 . 1 . 1 66 66 MET CG C 13 31.597 0.3 . 1 . . . . . 65 MET CG . 51471 1 658 . 1 . 1 66 66 MET N N 15 118.147 0.3 . 1 . . . . . 65 MET N . 51471 1 659 . 1 . 1 67 67 ARG H H 1 8.543 0.020 . 1 . . . . . 66 ARG H . 51471 1 660 . 1 . 1 67 67 ARG HA H 1 5.158 0.020 . 1 . . . . . 66 ARG HA . 51471 1 661 . 1 . 1 67 67 ARG HB2 H 1 1.709 0.020 . 2 . . . . . 66 ARG HB2 . 51471 1 662 . 1 . 1 67 67 ARG HB3 H 1 1.914 0.020 . 2 . . . . . 66 ARG HB3 . 51471 1 663 . 1 . 1 67 67 ARG HG2 H 1 1.749 0.020 . 2 . . . . . 66 ARG HG2 . 51471 1 664 . 1 . 1 67 67 ARG HG3 H 1 1.585 0.020 . 2 . . . . . 66 ARG HG3 . 51471 1 665 . 1 . 1 67 67 ARG HD2 H 1 3.252 0.020 . 2 . . . . . 66 ARG HD2 . 51471 1 666 . 1 . 1 67 67 ARG HD3 H 1 3.363 0.020 . 2 . . . . . 66 ARG HD3 . 51471 1 667 . 1 . 1 67 67 ARG C C 13 175.162 0.3 . 1 . . . . . 66 ARG C . 51471 1 668 . 1 . 1 67 67 ARG CA C 13 54.103 0.3 . 1 . . . . . 66 ARG CA . 51471 1 669 . 1 . 1 67 67 ARG CB C 13 33.126 0.3 . 1 . . . . . 66 ARG CB . 51471 1 670 . 1 . 1 67 67 ARG CG C 13 27.409 0.3 . 1 . . . . . 66 ARG CG . 51471 1 671 . 1 . 1 67 67 ARG CD C 13 42.916 0.3 . 1 . . . . . 66 ARG CD . 51471 1 672 . 1 . 1 67 67 ARG N N 15 121.513 0.3 . 1 . . . . . 66 ARG N . 51471 1 673 . 1 . 1 68 68 ASP H H 1 7.999 0.020 . 1 . . . . . 67 ASP H . 51471 1 674 . 1 . 1 68 68 ASP HA H 1 4.662 0.020 . 1 . . . . . 67 ASP HA . 51471 1 675 . 1 . 1 68 68 ASP HB2 H 1 3.548 0.020 . 2 . . . . . 67 ASP HB2 . 51471 1 676 . 1 . 1 68 68 ASP HB3 H 1 2.256 0.020 . 2 . . . . . 67 ASP HB3 . 51471 1 677 . 1 . 1 68 68 ASP C C 13 175.043 0.3 . 1 . . . . . 67 ASP C . 51471 1 678 . 1 . 1 68 68 ASP CA C 13 53.688 0.3 . 1 . . . . . 67 ASP CA . 51471 1 679 . 1 . 1 68 68 ASP CB C 13 41.780 0.3 . 1 . . . . . 67 ASP CB . 51471 1 680 . 1 . 1 68 68 ASP N N 15 121.822 0.3 . 1 . . . . . 67 ASP N . 51471 1 681 . 1 . 1 69 69 GLY H H 1 8.590 0.020 . 1 . . . . . 68 GLY H . 51471 1 682 . 1 . 1 69 69 GLY HA2 H 1 3.542 0.020 . 2 . . . . . 68 GLY HA2 . 51471 1 683 . 1 . 1 69 69 GLY HA3 H 1 4.171 0.020 . 2 . . . . . 68 GLY HA3 . 51471 1 684 . 1 . 1 69 69 GLY C C 13 175.472 0.3 . 1 . . . . . 68 GLY C . 51471 1 685 . 1 . 1 69 69 GLY CA C 13 46.411 0.3 . 1 . . . . . 68 GLY CA . 51471 1 686 . 1 . 1 69 69 GLY N N 15 112.647 0.3 . 1 . . . . . 68 GLY N . 51471 1 687 . 1 . 1 70 70 ALA H H 1 8.250 0.020 . 1 . . . . . 69 ALA H . 51471 1 688 . 1 . 1 70 70 ALA HA H 1 4.359 0.020 . 1 . . . . . 69 ALA HA . 51471 1 689 . 1 . 1 70 70 ALA HB1 H 1 1.559 0.020 . 1 . . . . . 69 ALA HB . 51471 1 690 . 1 . 1 70 70 ALA HB2 H 1 1.559 0.020 . 1 . . . . . 69 ALA HB . 51471 1 691 . 1 . 1 70 70 ALA HB3 H 1 1.559 0.020 . 1 . . . . . 69 ALA HB . 51471 1 692 . 1 . 1 70 70 ALA C C 13 177.087 0.3 . 1 . . . . . 69 ALA C . 51471 1 693 . 1 . 1 70 70 ALA CA C 13 52.787 0.3 . 1 . . . . . 69 ALA CA . 51471 1 694 . 1 . 1 70 70 ALA CB C 13 19.478 0.3 . 1 . . . . . 69 ALA CB . 51471 1 695 . 1 . 1 70 70 ALA N N 15 129.674 0.3 . 1 . . . . . 69 ALA N . 51471 1 696 . 1 . 1 71 71 ALA H H 1 8.146 0.020 . 1 . . . . . 70 ALA H . 51471 1 697 . 1 . 1 71 71 ALA HA H 1 4.900 0.020 . 1 . . . . . 70 ALA HA . 51471 1 698 . 1 . 1 71 71 ALA HB1 H 1 1.362 0.020 . 1 . . . . . 70 ALA HB . 51471 1 699 . 1 . 1 71 71 ALA HB2 H 1 1.362 0.020 . 1 . . . . . 70 ALA HB . 51471 1 700 . 1 . 1 71 71 ALA HB3 H 1 1.362 0.020 . 1 . . . . . 70 ALA HB . 51471 1 701 . 1 . 1 71 71 ALA C C 13 177.927 0.3 . 1 . . . . . 70 ALA C . 51471 1 702 . 1 . 1 71 71 ALA CA C 13 52.001 0.3 . 1 . . . . . 70 ALA CA . 51471 1 703 . 1 . 1 71 71 ALA CB C 13 19.706 0.3 . 1 . . . . . 70 ALA CB . 51471 1 704 . 1 . 1 71 71 ALA N N 15 121.673 0.3 . 1 . . . . . 70 ALA N . 51471 1 705 . 1 . 1 72 72 ALA H H 1 7.818 0.020 . 1 . . . . . 71 ALA H . 51471 1 706 . 1 . 1 72 72 ALA HA H 1 4.791 0.020 . 1 . . . . . 71 ALA HA . 51471 1 707 . 1 . 1 72 72 ALA HB1 H 1 0.017 0.020 . 1 . . . . . 71 ALA HB . 51471 1 708 . 1 . 1 72 72 ALA HB2 H 1 0.017 0.020 . 1 . . . . . 71 ALA HB . 51471 1 709 . 1 . 1 72 72 ALA HB3 H 1 0.017 0.020 . 1 . . . . . 71 ALA HB . 51471 1 710 . 1 . 1 72 72 ALA C C 13 173.833 0.3 . 1 . . . . . 71 ALA C . 51471 1 711 . 1 . 1 72 72 ALA CA C 13 50.035 0.3 . 1 . . . . . 71 ALA CA . 51471 1 712 . 1 . 1 72 72 ALA CB C 13 20.335 0.3 . 1 . . . . . 71 ALA CB . 51471 1 713 . 1 . 1 72 72 ALA N N 15 122.690 0.3 . 1 . . . . . 71 ALA N . 51471 1 714 . 1 . 1 73 73 TYR H H 1 8.631 0.020 . 1 . . . . . 72 TYR H . 51471 1 715 . 1 . 1 73 73 TYR HA H 1 4.977 0.020 . 1 . . . . . 72 TYR HA . 51471 1 716 . 1 . 1 73 73 TYR HB2 H 1 2.627 0.020 . 2 . . . . . 72 TYR HB2 . 51471 1 717 . 1 . 1 73 73 TYR HB3 H 1 2.983 0.020 . 2 . . . . . 72 TYR HB3 . 51471 1 718 . 1 . 1 73 73 TYR C C 13 175.081 0.3 . 1 . . . . . 72 TYR C . 51471 1 719 . 1 . 1 73 73 TYR CA C 13 56.282 0.3 . 1 . . . . . 72 TYR CA . 51471 1 720 . 1 . 1 73 73 TYR CB C 13 39.573 0.3 . 1 . . . . . 72 TYR CB . 51471 1 721 . 1 . 1 73 73 TYR CD1 C 13 131.917 0.3 . 1 . . . . . 72 TYR CD1 . 51471 1 722 . 1 . 1 73 73 TYR N N 15 121.123 0.3 . 1 . . . . . 72 TYR N . 51471 1 723 . 1 . 1 74 74 THR H H 1 9.521 0.020 . 1 . . . . . 73 THR H . 51471 1 724 . 1 . 1 74 74 THR HA H 1 5.104 0.020 . 1 . . . . . 73 THR HA . 51471 1 725 . 1 . 1 74 74 THR HB H 1 4.351 0.020 . 1 . . . . . 73 THR HB . 51471 1 726 . 1 . 1 74 74 THR HG21 H 1 1.448 0.020 . 1 . . . . . 73 THR HG2 . 51471 1 727 . 1 . 1 74 74 THR HG22 H 1 1.448 0.020 . 1 . . . . . 73 THR HG2 . 51471 1 728 . 1 . 1 74 74 THR HG23 H 1 1.448 0.020 . 1 . . . . . 73 THR HG2 . 51471 1 729 . 1 . 1 74 74 THR C C 13 169.779 0.3 . 1 . . . . . 73 THR C . 51471 1 730 . 1 . 1 74 74 THR CA C 13 59.493 0.3 . 1 . . . . . 73 THR CA . 51471 1 731 . 1 . 1 74 74 THR CB C 13 70.786 0.3 . 1 . . . . . 73 THR CB . 51471 1 732 . 1 . 1 74 74 THR CG2 C 13 20.321 0.3 . 1 . . . . . 73 THR CG2 . 51471 1 733 . 1 . 1 74 74 THR N N 15 117.627 0.3 . 1 . . . . . 73 THR N . 51471 1 734 . 1 . 1 75 75 LEU H H 1 8.515 0.020 . 1 . . . . . 74 LEU H . 51471 1 735 . 1 . 1 75 75 LEU HA H 1 4.239 0.020 . 1 . . . . . 74 LEU HA . 51471 1 736 . 1 . 1 75 75 LEU HB2 H 1 1.640 0.020 . 2 . . . . . 74 LEU HB2 . 51471 1 737 . 1 . 1 75 75 LEU HB3 H 1 1.554 0.020 . 2 . . . . . 74 LEU HB3 . 51471 1 738 . 1 . 1 75 75 LEU HG H 1 1.420 0.020 . 1 . . . . . 74 LEU HG . 51471 1 739 . 1 . 1 75 75 LEU HD11 H 1 0.965 0.020 . 1 . . . . . 74 LEU HD1 . 51471 1 740 . 1 . 1 75 75 LEU HD12 H 1 0.965 0.020 . 1 . . . . . 74 LEU HD1 . 51471 1 741 . 1 . 1 75 75 LEU HD13 H 1 0.965 0.020 . 1 . . . . . 74 LEU HD1 . 51471 1 742 . 1 . 1 75 75 LEU HD21 H 1 0.694 0.020 . 1 . . . . . 74 LEU HD2 . 51471 1 743 . 1 . 1 75 75 LEU HD22 H 1 0.694 0.020 . 1 . . . . . 74 LEU HD2 . 51471 1 744 . 1 . 1 75 75 LEU HD23 H 1 0.694 0.020 . 1 . . . . . 74 LEU HD2 . 51471 1 745 . 1 . 1 75 75 LEU C C 13 176.250 0.3 . 1 . . . . . 74 LEU C . 51471 1 746 . 1 . 1 75 75 LEU CA C 13 54.055 0.3 . 1 . . . . . 74 LEU CA . 51471 1 747 . 1 . 1 75 75 LEU CB C 13 42.190 0.3 . 1 . . . . . 74 LEU CB . 51471 1 748 . 1 . 1 75 75 LEU CG C 13 26.613 0.3 . 1 . . . . . 74 LEU CG . 51471 1 749 . 1 . 1 75 75 LEU CD1 C 13 25.084 0.3 . 1 . . . . . 74 LEU CD1 . 51471 1 750 . 1 . 1 75 75 LEU CD2 C 13 22.519 0.3 . 1 . . . . . 74 LEU CD2 . 51471 1 751 . 1 . 1 75 75 LEU N N 15 122.885 0.3 . 1 . . . . . 74 LEU N . 51471 1 752 . 1 . 1 76 76 THR H H 1 8.480 0.020 . 1 . . . . . 75 THR H . 51471 1 753 . 1 . 1 76 76 THR HA H 1 4.434 0.020 . 1 . . . . . 75 THR HA . 51471 1 754 . 1 . 1 76 76 THR HB H 1 3.943 0.020 . 1 . . . . . 75 THR HB . 51471 1 755 . 1 . 1 76 76 THR HG21 H 1 1.150 0.020 . 1 . . . . . 75 THR HG2 . 51471 1 756 . 1 . 1 76 76 THR HG22 H 1 1.150 0.020 . 1 . . . . . 75 THR HG2 . 51471 1 757 . 1 . 1 76 76 THR HG23 H 1 1.150 0.020 . 1 . . . . . 75 THR HG2 . 51471 1 758 . 1 . 1 76 76 THR C C 13 171.379 0.3 . 1 . . . . . 75 THR C . 51471 1 759 . 1 . 1 76 76 THR CA C 13 59.324 0.3 . 1 . . . . . 75 THR CA . 51471 1 760 . 1 . 1 76 76 THR CB C 13 70.902 0.3 . 1 . . . . . 75 THR CB . 51471 1 761 . 1 . 1 76 76 THR CG2 C 13 20.391 0.3 . 1 . . . . . 75 THR CG2 . 51471 1 762 . 1 . 1 76 76 THR N N 15 120.233 0.3 . 1 . . . . . 75 THR N . 51471 1 763 . 1 . 1 77 77 PRO HA H 1 4.883 0.020 . 1 . . . . . 76 PRO HA . 51471 1 764 . 1 . 1 77 77 PRO HG2 H 1 2.538 0.020 . 2 . . . . . 76 PRO HG2 . 51471 1 765 . 1 . 1 77 77 PRO HG3 H 1 1.886 0.020 . 2 . . . . . 76 PRO HG3 . 51471 1 766 . 1 . 1 77 77 PRO HD2 H 1 3.417 0.020 . 2 . . . . . 76 PRO HD2 . 51471 1 767 . 1 . 1 77 77 PRO HD3 H 1 3.518 0.020 . 2 . . . . . 76 PRO HD3 . 51471 1 768 . 1 . 1 77 77 PRO C C 13 175.046 0.3 . 1 . . . . . 76 PRO C . 51471 1 769 . 1 . 1 77 77 PRO CA C 13 64.407 0.3 . 1 . . . . . 76 PRO CA . 51471 1 770 . 1 . 1 77 77 PRO CB C 13 33.778 0.3 . 1 . . . . . 76 PRO CB . 51471 1 771 . 1 . 1 77 77 PRO CG C 13 25.157 0.3 . 1 . . . . . 76 PRO CG . 51471 1 772 . 1 . 1 77 77 PRO CD C 13 48.903 0.3 . 1 . . . . . 76 PRO CD . 51471 1 773 . 1 . 1 78 78 ARG H H 1 7.456 0.020 . 1 . . . . . 77 ARG H . 51471 1 774 . 1 . 1 78 78 ARG HA H 1 4.488 0.020 . 1 . . . . . 77 ARG HA . 51471 1 775 . 1 . 1 78 78 ARG HB2 H 1 1.641 0.020 . 2 . . . . . 77 ARG HB2 . 51471 1 776 . 1 . 1 78 78 ARG HB3 H 1 1.431 0.020 . 2 . . . . . 77 ARG HB3 . 51471 1 777 . 1 . 1 78 78 ARG HD2 H 1 2.320 0.020 . 2 . . . . . 77 ARG HD2 . 51471 1 778 . 1 . 1 78 78 ARG HD3 H 1 2.639 0.020 . 2 . . . . . 77 ARG HD3 . 51471 1 779 . 1 . 1 78 78 ARG C C 13 171.593 0.3 . 1 . . . . . 77 ARG C . 51471 1 780 . 1 . 1 78 78 ARG CA C 13 53.265 0.3 . 1 . . . . . 77 ARG CA . 51471 1 781 . 1 . 1 78 78 ARG CB C 13 26.527 0.3 . 1 . . . . . 77 ARG CB . 51471 1 782 . 1 . 1 78 78 ARG CG C 13 23.139 0.3 . 1 . . . . . 77 ARG CG . 51471 1 783 . 1 . 1 78 78 ARG CD C 13 42.118 0.3 . 1 . . . . . 77 ARG CD . 51471 1 784 . 1 . 1 78 78 ARG N N 15 119.897 0.3 . 1 . . . . . 77 ARG N . 51471 1 785 . 1 . 1 79 79 PRO HA H 1 4.609 0.020 . 1 . . . . . 78 PRO HA . 51471 1 786 . 1 . 1 79 79 PRO HB2 H 1 1.923 0.020 . 2 . . . . . 78 PRO HB2 . 51471 1 787 . 1 . 1 79 79 PRO HB3 H 1 2.155 0.020 . 2 . . . . . 78 PRO HB3 . 51471 1 788 . 1 . 1 79 79 PRO HD2 H 1 4.012 0.020 . 2 . . . . . 78 PRO HD2 . 51471 1 789 . 1 . 1 79 79 PRO HD3 H 1 3.642 0.020 . 2 . . . . . 78 PRO HD3 . 51471 1 790 . 1 . 1 79 79 PRO C C 13 178.287 0.3 . 1 . . . . . 78 PRO C . 51471 1 791 . 1 . 1 79 79 PRO CA C 13 64.401 0.3 . 1 . . . . . 78 PRO CA . 51471 1 792 . 1 . 1 79 79 PRO CB C 13 31.666 0.3 . 1 . . . . . 78 PRO CB . 51471 1 793 . 1 . 1 79 79 PRO CG C 13 27.130 0.3 . 1 . . . . . 78 PRO CG . 51471 1 794 . 1 . 1 79 79 PRO CD C 13 50.969 0.3 . 1 . . . . . 78 PRO CD . 51471 1 795 . 1 . 1 80 80 ILE H H 1 9.333 0.020 . 1 . . . . . 79 ILE H . 51471 1 796 . 1 . 1 80 80 ILE HA H 1 4.997 0.020 . 1 . . . . . 79 ILE HA . 51471 1 797 . 1 . 1 80 80 ILE HB H 1 1.284 0.020 . 1 . . . . . 79 ILE HB . 51471 1 798 . 1 . 1 80 80 ILE HG12 H 1 1.461 0.020 . 2 . . . . . 79 ILE HG12 . 51471 1 799 . 1 . 1 80 80 ILE HG13 H 1 0.786 0.020 . 2 . . . . . 79 ILE HG13 . 51471 1 800 . 1 . 1 80 80 ILE HG21 H 1 -0.001 0.020 . 1 . . . . . 79 ILE HG2 . 51471 1 801 . 1 . 1 80 80 ILE HG22 H 1 -0.001 0.020 . 1 . . . . . 79 ILE HG2 . 51471 1 802 . 1 . 1 80 80 ILE HG23 H 1 -0.001 0.020 . 1 . . . . . 79 ILE HG2 . 51471 1 803 . 1 . 1 80 80 ILE HD11 H 1 0.611 0.020 . 1 . . . . . 79 ILE HD1 . 51471 1 804 . 1 . 1 80 80 ILE HD12 H 1 0.611 0.020 . 1 . . . . . 79 ILE HD1 . 51471 1 805 . 1 . 1 80 80 ILE HD13 H 1 0.611 0.020 . 1 . . . . . 79 ILE HD1 . 51471 1 806 . 1 . 1 80 80 ILE C C 13 172.776 0.3 . 1 . . . . . 79 ILE C . 51471 1 807 . 1 . 1 80 80 ILE CA C 13 60.633 0.3 . 1 . . . . . 79 ILE CA . 51471 1 808 . 1 . 1 80 80 ILE CB C 13 44.651 0.3 . 1 . . . . . 79 ILE CB . 51471 1 809 . 1 . 1 80 80 ILE CG1 C 13 30.079 0.3 . 1 . . . . . 79 ILE CG1 . 51471 1 810 . 1 . 1 80 80 ILE CG2 C 13 14.998 0.3 . 1 . . . . . 79 ILE CG2 . 51471 1 811 . 1 . 1 80 80 ILE CD1 C 13 14.181 0.3 . 1 . . . . . 79 ILE CD1 . 51471 1 812 . 1 . 1 80 80 ILE N N 15 133.870 0.3 . 1 . . . . . 79 ILE N . 51471 1 813 . 1 . 1 81 81 ILE H H 1 8.595 0.020 . 1 . . . . . 80 ILE H . 51471 1 814 . 1 . 1 81 81 ILE HA H 1 4.031 0.020 . 1 . . . . . 80 ILE HA . 51471 1 815 . 1 . 1 81 81 ILE HB H 1 1.271 0.020 . 1 . . . . . 80 ILE HB . 51471 1 816 . 1 . 1 81 81 ILE HG12 H 1 -0.378 0.020 . 2 . . . . . 80 ILE HG12 . 51471 1 817 . 1 . 1 81 81 ILE HG13 H 1 1.283 0.020 . 2 . . . . . 80 ILE HG13 . 51471 1 818 . 1 . 1 81 81 ILE HG21 H 1 -0.234 0.020 . 1 . . . . . 80 ILE HG2 . 51471 1 819 . 1 . 1 81 81 ILE HG22 H 1 -0.234 0.020 . 1 . . . . . 80 ILE HG2 . 51471 1 820 . 1 . 1 81 81 ILE HG23 H 1 -0.234 0.020 . 1 . . . . . 80 ILE HG2 . 51471 1 821 . 1 . 1 81 81 ILE HD11 H 1 -0.073 0.020 . 1 . . . . . 80 ILE HD1 . 51471 1 822 . 1 . 1 81 81 ILE HD12 H 1 -0.073 0.020 . 1 . . . . . 80 ILE HD1 . 51471 1 823 . 1 . 1 81 81 ILE HD13 H 1 -0.073 0.020 . 1 . . . . . 80 ILE HD1 . 51471 1 824 . 1 . 1 81 81 ILE C C 13 174.208 0.3 . 1 . . . . . 80 ILE C . 51471 1 825 . 1 . 1 81 81 ILE CA C 13 59.179 0.3 . 1 . . . . . 80 ILE CA . 51471 1 826 . 1 . 1 81 81 ILE CB C 13 40.087 0.3 . 1 . . . . . 80 ILE CB . 51471 1 827 . 1 . 1 81 81 ILE CG1 C 13 27.176 0.3 . 1 . . . . . 80 ILE CG1 . 51471 1 828 . 1 . 1 81 81 ILE CG2 C 13 16.007 0.3 . 1 . . . . . 80 ILE CG2 . 51471 1 829 . 1 . 1 81 81 ILE CD1 C 13 13.463 0.3 . 1 . . . . . 80 ILE CD1 . 51471 1 830 . 1 . 1 81 81 ILE N N 15 125.290 0.3 . 1 . . . . . 80 ILE N . 51471 1 831 . 1 . 1 82 82 HIS H H 1 9.140 0.020 . 1 . . . . . 81 HIS H . 51471 1 832 . 1 . 1 82 82 HIS HA H 1 4.470 0.020 . 1 . . . . . 81 HIS HA . 51471 1 833 . 1 . 1 82 82 HIS HB2 H 1 2.486 0.020 . 2 . . . . . 81 HIS HB2 . 51471 1 834 . 1 . 1 82 82 HIS HB3 H 1 2.751 0.020 . 2 . . . . . 81 HIS HB3 . 51471 1 835 . 1 . 1 82 82 HIS HD2 H 1 7.101 0.020 . 1 . . . . . 81 HIS HD2 . 51471 1 836 . 1 . 1 82 82 HIS C C 13 173.689 0.3 . 1 . . . . . 81 HIS C . 51471 1 837 . 1 . 1 82 82 HIS CA C 13 54.713 0.3 . 1 . . . . . 81 HIS CA . 51471 1 838 . 1 . 1 82 82 HIS CB C 13 31.449 0.3 . 1 . . . . . 81 HIS CB . 51471 1 839 . 1 . 1 82 82 HIS CD2 C 13 119.835 0.3 . 1 . . . . . 81 HIS CD2 . 51471 1 840 . 1 . 1 82 82 HIS N N 15 126.911 0.3 . 1 . . . . . 81 HIS N . 51471 1 841 . 1 . 1 83 83 ALA H H 1 8.135 0.020 . 1 . . . . . 82 ALA H . 51471 1 842 . 1 . 1 83 83 ALA HA H 1 4.439 0.020 . 1 . . . . . 82 ALA HA . 51471 1 843 . 1 . 1 83 83 ALA HB1 H 1 1.123 0.020 . 1 . . . . . 82 ALA HB . 51471 1 844 . 1 . 1 83 83 ALA HB2 H 1 1.123 0.020 . 1 . . . . . 82 ALA HB . 51471 1 845 . 1 . 1 83 83 ALA HB3 H 1 1.123 0.020 . 1 . . . . . 82 ALA HB . 51471 1 846 . 1 . 1 83 83 ALA C C 13 176.167 0.3 . 1 . . . . . 82 ALA C . 51471 1 847 . 1 . 1 83 83 ALA CA C 13 50.271 0.3 . 1 . . . . . 82 ALA CA . 51471 1 848 . 1 . 1 83 83 ALA CB C 13 22.628 0.3 . 1 . . . . . 82 ALA CB . 51471 1 849 . 1 . 1 83 83 ALA N N 15 128.199 0.3 . 1 . . . . . 82 ALA N . 51471 1 850 . 1 . 1 84 84 VAL H H 1 9.050 0.020 . 1 . . . . . 83 VAL H . 51471 1 851 . 1 . 1 84 84 VAL HA H 1 4.160 0.020 . 1 . . . . . 83 VAL HA . 51471 1 852 . 1 . 1 84 84 VAL HB H 1 1.742 0.020 . 1 . . . . . 83 VAL HB . 51471 1 853 . 1 . 1 84 84 VAL HG11 H 1 0.488 0.020 . 1 . . . . . 83 VAL HG1 . 51471 1 854 . 1 . 1 84 84 VAL HG12 H 1 0.488 0.020 . 1 . . . . . 83 VAL HG1 . 51471 1 855 . 1 . 1 84 84 VAL HG13 H 1 0.488 0.020 . 1 . . . . . 83 VAL HG1 . 51471 1 856 . 1 . 1 84 84 VAL HG21 H 1 0.826 0.020 . 1 . . . . . 83 VAL HG2 . 51471 1 857 . 1 . 1 84 84 VAL HG22 H 1 0.826 0.020 . 1 . . . . . 83 VAL HG2 . 51471 1 858 . 1 . 1 84 84 VAL HG23 H 1 0.826 0.020 . 1 . . . . . 83 VAL HG2 . 51471 1 859 . 1 . 1 84 84 VAL C C 13 174.544 0.3 . 1 . . . . . 83 VAL C . 51471 1 860 . 1 . 1 84 84 VAL CA C 13 61.263 0.3 . 1 . . . . . 83 VAL CA . 51471 1 861 . 1 . 1 84 84 VAL CB C 13 33.651 0.3 . 1 . . . . . 83 VAL CB . 51471 1 862 . 1 . 1 84 84 VAL CG1 C 13 21.358 0.3 . 1 . . . . . 83 VAL CG1 . 51471 1 863 . 1 . 1 84 84 VAL CG2 C 13 22.357 0.3 . 1 . . . . . 83 VAL CG2 . 51471 1 864 . 1 . 1 84 84 VAL N N 15 119.203 0.3 . 1 . . . . . 83 VAL N . 51471 1 865 . 1 . 1 85 85 ALA H H 1 9.086 0.020 . 1 . . . . . 84 ALA H . 51471 1 866 . 1 . 1 85 85 ALA HA H 1 4.349 0.020 . 1 . . . . . 84 ALA HA . 51471 1 867 . 1 . 1 85 85 ALA HB1 H 1 1.306 0.020 . 1 . . . . . 84 ALA HB . 51471 1 868 . 1 . 1 85 85 ALA HB2 H 1 1.306 0.020 . 1 . . . . . 84 ALA HB . 51471 1 869 . 1 . 1 85 85 ALA HB3 H 1 1.306 0.020 . 1 . . . . . 84 ALA HB . 51471 1 870 . 1 . 1 85 85 ALA C C 13 173.629 0.3 . 1 . . . . . 84 ALA C . 51471 1 871 . 1 . 1 85 85 ALA CA C 13 49.499 0.3 . 1 . . . . . 84 ALA CA . 51471 1 872 . 1 . 1 85 85 ALA CB C 13 17.823 0.3 . 1 . . . . . 84 ALA CB . 51471 1 873 . 1 . 1 85 85 ALA N N 15 128.398 0.3 . 1 . . . . . 84 ALA N . 51471 1 874 . 1 . 1 86 86 PRO HA H 1 4.322 0.020 . 1 . . . . . 85 PRO HA . 51471 1 875 . 1 . 1 86 86 PRO HB2 H 1 2.202 0.020 . 2 . . . . . 85 PRO HB2 . 51471 1 876 . 1 . 1 86 86 PRO HB3 H 1 2.066 0.020 . 2 . . . . . 85 PRO HB3 . 51471 1 877 . 1 . 1 86 86 PRO HG2 H 1 1.965 0.020 . 2 . . . . . 85 PRO HG2 . 51471 1 878 . 1 . 1 86 86 PRO HG3 H 1 2.000 0.020 . 2 . . . . . 85 PRO HG3 . 51471 1 879 . 1 . 1 86 86 PRO HD2 H 1 3.675 0.020 . 2 . . . . . 85 PRO HD2 . 51471 1 880 . 1 . 1 86 86 PRO HD3 H 1 4.437 0.020 . 2 . . . . . 85 PRO HD3 . 51471 1 881 . 1 . 1 86 86 PRO C C 13 173.223 0.3 . 1 . . . . . 85 PRO C . 51471 1 882 . 1 . 1 86 86 PRO CA C 13 61.784 0.3 . 1 . . . . . 85 PRO CA . 51471 1 883 . 1 . 1 86 86 PRO CB C 13 32.010 0.3 . 1 . . . . . 85 PRO CB . 51471 1 884 . 1 . 1 86 86 PRO CG C 13 27.389 0.3 . 1 . . . . . 85 PRO CG . 51471 1 885 . 1 . 1 86 86 PRO CD C 13 51.129 0.3 . 1 . . . . . 85 PRO CD . 51471 1 886 . 1 . 1 87 87 ASP H H 1 7.491 0.020 . 1 . . . . . 86 ASP H . 51471 1 887 . 1 . 1 87 87 ASP HA H 1 4.158 0.020 . 1 . . . . . 86 ASP HA . 51471 1 888 . 1 . 1 87 87 ASP HB2 H 1 1.126 0.020 . 2 . . . . . 86 ASP HB2 . 51471 1 889 . 1 . 1 87 87 ASP HB3 H 1 2.571 0.020 . 2 . . . . . 86 ASP HB3 . 51471 1 890 . 1 . 1 87 87 ASP C C 13 178.537 0.3 . 1 . . . . . 86 ASP C . 51471 1 891 . 1 . 1 87 87 ASP CA C 13 52.221 0.3 . 1 . . . . . 86 ASP CA . 51471 1 892 . 1 . 1 87 87 ASP CB C 13 39.538 0.3 . 1 . . . . . 86 ASP CB . 51471 1 893 . 1 . 1 87 87 ASP N N 15 114.981 0.3 . 1 . . . . . 86 ASP N . 51471 1 894 . 1 . 1 88 88 TYR H H 1 8.994 0.020 . 1 . . . . . 87 TYR H . 51471 1 895 . 1 . 1 88 88 TYR HA H 1 4.736 0.020 . 1 . . . . . 87 TYR HA . 51471 1 896 . 1 . 1 88 88 TYR HB2 H 1 3.299 0.020 . 2 . . . . . 87 TYR HB2 . 51471 1 897 . 1 . 1 88 88 TYR HB3 H 1 2.925 0.020 . 2 . . . . . 87 TYR HB3 . 51471 1 898 . 1 . 1 88 88 TYR C C 13 177.849 0.3 . 1 . . . . . 87 TYR C . 51471 1 899 . 1 . 1 88 88 TYR CA C 13 58.196 0.3 . 1 . . . . . 87 TYR CA . 51471 1 900 . 1 . 1 88 88 TYR CB C 13 36.491 0.3 . 1 . . . . . 87 TYR CB . 51471 1 901 . 1 . 1 88 88 TYR CD1 C 13 132.159 0.3 . 1 . . . . . 87 TYR CD1 . 51471 1 902 . 1 . 1 88 88 TYR CE1 C 13 116.812 0.3 . 1 . . . . . 87 TYR CE1 . 51471 1 903 . 1 . 1 88 88 TYR N N 15 132.000 0.3 . 1 . . . . . 87 TYR N . 51471 1 904 . 1 . 1 89 89 ARG H H 1 8.499 0.020 . 1 . . . . . 88 ARG H . 51471 1 905 . 1 . 1 89 89 ARG HA H 1 4.116 0.020 . 1 . . . . . 88 ARG HA . 51471 1 906 . 1 . 1 89 89 ARG HB2 H 1 1.884 0.020 . 2 . . . . . 88 ARG HB2 . 51471 1 907 . 1 . 1 89 89 ARG HB3 H 1 1.773 0.020 . 2 . . . . . 88 ARG HB3 . 51471 1 908 . 1 . 1 89 89 ARG C C 13 177.648 0.3 . 1 . . . . . 88 ARG C . 51471 1 909 . 1 . 1 89 89 ARG CA C 13 58.368 0.3 . 1 . . . . . 88 ARG CA . 51471 1 910 . 1 . 1 89 89 ARG CB C 13 29.595 0.3 . 1 . . . . . 88 ARG CB . 51471 1 911 . 1 . 1 89 89 ARG CG C 13 27.134 0.3 . 1 . . . . . 88 ARG CG . 51471 1 912 . 1 . 1 89 89 ARG CD C 13 43.501 0.3 . 1 . . . . . 88 ARG CD . 51471 1 913 . 1 . 1 89 89 ARG N N 15 118.231 0.3 . 1 . . . . . 88 ARG N . 51471 1 914 . 1 . 1 90 90 LEU H H 1 7.444 0.020 . 1 . . . . . 89 LEU H . 51471 1 915 . 1 . 1 90 90 LEU HA H 1 4.389 0.020 . 1 . . . . . 89 LEU HA . 51471 1 916 . 1 . 1 90 90 LEU HB2 H 1 1.444 0.020 . 2 . . . . . 89 LEU HB2 . 51471 1 917 . 1 . 1 90 90 LEU HB3 H 1 1.573 0.020 . 2 . . . . . 89 LEU HB3 . 51471 1 918 . 1 . 1 90 90 LEU HG H 1 0.752 0.020 . 1 . . . . . 89 LEU HG . 51471 1 919 . 1 . 1 90 90 LEU HD11 H 1 0.913 0.020 . 1 . . . . . 89 LEU HD1 . 51471 1 920 . 1 . 1 90 90 LEU HD12 H 1 0.913 0.020 . 1 . . . . . 89 LEU HD1 . 51471 1 921 . 1 . 1 90 90 LEU HD13 H 1 0.913 0.020 . 1 . . . . . 89 LEU HD1 . 51471 1 922 . 1 . 1 90 90 LEU HD21 H 1 0.817 0.020 . 1 . . . . . 89 LEU HD2 . 51471 1 923 . 1 . 1 90 90 LEU HD22 H 1 0.817 0.020 . 1 . . . . . 89 LEU HD2 . 51471 1 924 . 1 . 1 90 90 LEU HD23 H 1 0.817 0.020 . 1 . . . . . 89 LEU HD2 . 51471 1 925 . 1 . 1 90 90 LEU C C 13 176.655 0.3 . 1 . . . . . 89 LEU C . 51471 1 926 . 1 . 1 90 90 LEU CA C 13 54.881 0.3 . 1 . . . . . 89 LEU CA . 51471 1 927 . 1 . 1 90 90 LEU CB C 13 43.192 0.3 . 1 . . . . . 89 LEU CB . 51471 1 928 . 1 . 1 90 90 LEU CG C 13 26.624 0.3 . 1 . . . . . 89 LEU CG . 51471 1 929 . 1 . 1 90 90 LEU CD1 C 13 25.092 0.3 . 1 . . . . . 89 LEU CD1 . 51471 1 930 . 1 . 1 90 90 LEU CD2 C 13 22.839 0.3 . 1 . . . . . 89 LEU CD2 . 51471 1 931 . 1 . 1 90 90 LEU N N 15 117.549 0.3 . 1 . . . . . 89 LEU N . 51471 1 932 . 1 . 1 91 91 GLU H H 1 7.671 0.020 . 1 . . . . . 90 GLU H . 51471 1 933 . 1 . 1 91 91 GLU HA H 1 4.206 0.020 . 1 . . . . . 90 GLU HA . 51471 1 934 . 1 . 1 91 91 GLU HB2 H 1 1.927 0.020 . 2 . . . . . 90 GLU HB2 . 51471 1 935 . 1 . 1 91 91 GLU HB3 H 1 1.802 0.020 . 2 . . . . . 90 GLU HB3 . 51471 1 936 . 1 . 1 91 91 GLU HG2 H 1 2.125 0.020 . 2 . . . . . 90 GLU HG2 . 51471 1 937 . 1 . 1 91 91 GLU HG3 H 1 1.935 0.020 . 2 . . . . . 90 GLU HG3 . 51471 1 938 . 1 . 1 91 91 GLU C C 13 174.907 0.3 . 1 . . . . . 90 GLU C . 51471 1 939 . 1 . 1 91 91 GLU CA C 13 55.677 0.3 . 1 . . . . . 90 GLU CA . 51471 1 940 . 1 . 1 91 91 GLU CB C 13 30.816 0.3 . 1 . . . . . 90 GLU CB . 51471 1 941 . 1 . 1 91 91 GLU CG C 13 34.726 0.3 . 1 . . . . . 90 GLU CG . 51471 1 942 . 1 . 1 91 91 GLU N N 15 116.908 0.3 . 1 . . . . . 90 GLU N . 51471 1 943 . 1 . 1 92 92 HIS H H 1 8.823 0.020 . 1 . . . . . 91 HIS H . 51471 1 944 . 1 . 1 92 92 HIS HA H 1 3.445 0.020 . 1 . . . . . 91 HIS HA . 51471 1 945 . 1 . 1 92 92 HIS HB2 H 1 2.959 0.020 . 2 . . . . . 91 HIS HB2 . 51471 1 946 . 1 . 1 92 92 HIS HB3 H 1 2.697 0.020 . 2 . . . . . 91 HIS HB3 . 51471 1 947 . 1 . 1 92 92 HIS HD2 H 1 7.229 0.020 . 1 . . . . . 91 HIS HD2 . 51471 1 948 . 1 . 1 92 92 HIS HE1 H 1 7.785 0.020 . 1 . . . . . 91 HIS HE1 . 51471 1 949 . 1 . 1 92 92 HIS C C 13 172.862 0.3 . 1 . . . . . 91 HIS C . 51471 1 950 . 1 . 1 92 92 HIS CA C 13 53.363 0.3 . 1 . . . . . 91 HIS CA . 51471 1 951 . 1 . 1 92 92 HIS CB C 13 28.370 0.3 . 1 . . . . . 91 HIS CB . 51471 1 952 . 1 . 1 92 92 HIS CD2 C 13 119.611 0.3 . 1 . . . . . 91 HIS CD2 . 51471 1 953 . 1 . 1 92 92 HIS N N 15 122.133 0.3 . 1 . . . . . 91 HIS N . 51471 1 954 . 1 . 1 93 93 ASN H H 1 6.985 0.020 . 1 . . . . . 92 ASN H . 51471 1 955 . 1 . 1 93 93 ASN HA H 1 5.137 0.020 . 1 . . . . . 92 ASN HA . 51471 1 956 . 1 . 1 93 93 ASN HB2 H 1 3.061 0.020 . 2 . . . . . 92 ASN HB2 . 51471 1 957 . 1 . 1 93 93 ASN HB3 H 1 2.544 0.020 . 2 . . . . . 92 ASN HB3 . 51471 1 958 . 1 . 1 93 93 ASN HD21 H 1 6.769 0.020 . 1 . . . . . 92 ASN HD21 . 51471 1 959 . 1 . 1 93 93 ASN HD22 H 1 7.293 0.020 . 1 . . . . . 92 ASN HD22 . 51471 1 960 . 1 . 1 93 93 ASN C C 13 172.917 0.3 . 1 . . . . . 92 ASN C . 51471 1 961 . 1 . 1 93 93 ASN CA C 13 50.448 0.3 . 1 . . . . . 92 ASN CA . 51471 1 962 . 1 . 1 93 93 ASN CB C 13 39.378 0.3 . 1 . . . . . 92 ASN CB . 51471 1 963 . 1 . 1 93 93 ASN N N 15 119.971 0.3 . 1 . . . . . 92 ASN N . 51471 1 964 . 1 . 1 93 93 ASN ND2 N 15 111.693 0.3 . 1 . . . . . 92 ASN ND2 . 51471 1 965 . 1 . 1 94 94 PRO HA H 1 4.304 0.020 . 1 . . . . . 93 PRO HA . 51471 1 966 . 1 . 1 94 94 PRO HB2 H 1 2.490 0.020 . 2 . . . . . 93 PRO HB2 . 51471 1 967 . 1 . 1 94 94 PRO HB3 H 1 1.506 0.020 . 2 . . . . . 93 PRO HB3 . 51471 1 968 . 1 . 1 94 94 PRO HG2 H 1 2.162 0.020 . 2 . . . . . 93 PRO HG2 . 51471 1 969 . 1 . 1 94 94 PRO HG3 H 1 2.000 0.020 . 2 . . . . . 93 PRO HG3 . 51471 1 970 . 1 . 1 94 94 PRO HD2 H 1 3.530 0.020 . 2 . . . . . 93 PRO HD2 . 51471 1 971 . 1 . 1 94 94 PRO HD3 H 1 3.495 0.020 . 2 . . . . . 93 PRO HD3 . 51471 1 972 . 1 . 1 94 94 PRO C C 13 179.604 0.3 . 1 . . . . . 93 PRO C . 51471 1 973 . 1 . 1 94 94 PRO CA C 13 64.742 0.3 . 1 . . . . . 93 PRO CA . 51471 1 974 . 1 . 1 94 94 PRO CB C 13 31.906 0.3 . 1 . . . . . 93 PRO CB . 51471 1 975 . 1 . 1 94 94 PRO CG C 13 27.547 0.3 . 1 . . . . . 93 PRO CG . 51471 1 976 . 1 . 1 94 94 PRO CD C 13 50.226 0.3 . 1 . . . . . 93 PRO CD . 51471 1 977 . 1 . 1 95 95 LYS H H 1 8.269 0.020 . 1 . . . . . 94 LYS H . 51471 1 978 . 1 . 1 95 95 LYS HA H 1 4.218 0.020 . 1 . . . . . 94 LYS HA . 51471 1 979 . 1 . 1 95 95 LYS HB2 H 1 1.892 0.020 . 2 . . . . . 94 LYS HB2 . 51471 1 980 . 1 . 1 95 95 LYS HB3 H 1 1.975 0.020 . 2 . . . . . 94 LYS HB3 . 51471 1 981 . 1 . 1 95 95 LYS HD2 H 1 1.587 0.020 . 2 . . . . . 94 LYS HD2 . 51471 1 982 . 1 . 1 95 95 LYS HD3 H 1 1.461 0.020 . 2 . . . . . 94 LYS HD3 . 51471 1 983 . 1 . 1 95 95 LYS C C 13 180.238 0.3 . 1 . . . . . 94 LYS C . 51471 1 984 . 1 . 1 95 95 LYS CA C 13 59.566 0.3 . 1 . . . . . 94 LYS CA . 51471 1 985 . 1 . 1 95 95 LYS CB C 13 31.477 0.3 . 1 . . . . . 94 LYS CB . 51471 1 986 . 1 . 1 95 95 LYS CG C 13 25.354 0.3 . 1 . . . . . 94 LYS CG . 51471 1 987 . 1 . 1 95 95 LYS CD C 13 29.038 0.3 . 1 . . . . . 94 LYS CD . 51471 1 988 . 1 . 1 95 95 LYS CE C 13 41.930 0.3 . 1 . . . . . 94 LYS CE . 51471 1 989 . 1 . 1 95 95 LYS N N 15 120.303 0.3 . 1 . . . . . 94 LYS N . 51471 1 990 . 1 . 1 96 96 MET H H 1 7.785 0.020 . 1 . . . . . 95 MET H . 51471 1 991 . 1 . 1 96 96 MET HA H 1 4.374 0.020 . 1 . . . . . 95 MET HA . 51471 1 992 . 1 . 1 96 96 MET HB2 H 1 2.542 0.020 . 2 . . . . . 95 MET HB2 . 51471 1 993 . 1 . 1 96 96 MET HB3 H 1 2.784 0.020 . 2 . . . . . 95 MET HB3 . 51471 1 994 . 1 . 1 96 96 MET C C 13 178.905 0.3 . 1 . . . . . 95 MET C . 51471 1 995 . 1 . 1 96 96 MET CA C 13 57.347 0.3 . 1 . . . . . 95 MET CA . 51471 1 996 . 1 . 1 96 96 MET CB C 13 32.597 0.3 . 1 . . . . . 95 MET CB . 51471 1 997 . 1 . 1 96 96 MET CG C 13 29.482 0.3 . 1 . . . . . 95 MET CG . 51471 1 998 . 1 . 1 96 96 MET N N 15 118.393 0.3 . 1 . . . . . 95 MET N . 51471 1 999 . 1 . 1 97 97 LEU H H 1 7.686 0.020 . 1 . . . . . 96 LEU H . 51471 1 1000 . 1 . 1 97 97 LEU HA H 1 4.076 0.020 . 1 . . . . . 96 LEU HA . 51471 1 1001 . 1 . 1 97 97 LEU HB2 H 1 1.466 0.020 . 2 . . . . . 96 LEU HB2 . 51471 1 1002 . 1 . 1 97 97 LEU HB3 H 1 1.602 0.020 . 2 . . . . . 96 LEU HB3 . 51471 1 1003 . 1 . 1 97 97 LEU HG H 1 0.804 0.020 . 1 . . . . . 96 LEU HG . 51471 1 1004 . 1 . 1 97 97 LEU HD11 H 1 0.762 0.020 . 1 . . . . . 96 LEU HD1 . 51471 1 1005 . 1 . 1 97 97 LEU HD12 H 1 0.762 0.020 . 1 . . . . . 96 LEU HD1 . 51471 1 1006 . 1 . 1 97 97 LEU HD13 H 1 0.762 0.020 . 1 . . . . . 96 LEU HD1 . 51471 1 1007 . 1 . 1 97 97 LEU HD21 H 1 1.034 0.020 . 1 . . . . . 96 LEU HD2 . 51471 1 1008 . 1 . 1 97 97 LEU HD22 H 1 1.034 0.020 . 1 . . . . . 96 LEU HD2 . 51471 1 1009 . 1 . 1 97 97 LEU HD23 H 1 1.034 0.020 . 1 . . . . . 96 LEU HD2 . 51471 1 1010 . 1 . 1 97 97 LEU C C 13 176.676 0.3 . 1 . . . . . 96 LEU C . 51471 1 1011 . 1 . 1 97 97 LEU CA C 13 57.584 0.3 . 1 . . . . . 96 LEU CA . 51471 1 1012 . 1 . 1 97 97 LEU CB C 13 42.108 0.3 . 1 . . . . . 96 LEU CB . 51471 1 1013 . 1 . 1 97 97 LEU CG C 13 25.956 0.3 . 1 . . . . . 96 LEU CG . 51471 1 1014 . 1 . 1 97 97 LEU CD1 C 13 24.434 0.3 . 1 . . . . . 96 LEU CD1 . 51471 1 1015 . 1 . 1 97 97 LEU CD2 C 13 23.157 0.3 . 1 . . . . . 96 LEU CD2 . 51471 1 1016 . 1 . 1 97 97 LEU N N 15 122.744 0.3 . 1 . . . . . 96 LEU N . 51471 1 1017 . 1 . 1 98 98 GLU H H 1 7.593 0.020 . 1 . . . . . 97 GLU H . 51471 1 1018 . 1 . 1 98 98 GLU HA H 1 3.951 0.020 . 1 . . . . . 97 GLU HA . 51471 1 1019 . 1 . 1 98 98 GLU HG2 H 1 2.315 0.020 . 2 . . . . . 97 GLU HG2 . 51471 1 1020 . 1 . 1 98 98 GLU HG3 H 1 2.414 0.020 . 2 . . . . . 97 GLU HG3 . 51471 1 1021 . 1 . 1 98 98 GLU C C 13 179.007 0.3 . 1 . . . . . 97 GLU C . 51471 1 1022 . 1 . 1 98 98 GLU CA C 13 59.804 0.3 . 1 . . . . . 97 GLU CA . 51471 1 1023 . 1 . 1 98 98 GLU CB C 13 29.396 0.3 . 1 . . . . . 97 GLU CB . 51471 1 1024 . 1 . 1 98 98 GLU CG C 13 35.663 0.3 . 1 . . . . . 97 GLU CG . 51471 1 1025 . 1 . 1 98 98 GLU N N 15 117.201 0.3 . 1 . . . . . 97 GLU N . 51471 1 1026 . 1 . 1 99 99 ALA H H 1 7.647 0.020 . 1 . . . . . 98 ALA H . 51471 1 1027 . 1 . 1 99 99 ALA HA H 1 3.975 0.020 . 1 . . . . . 98 ALA HA . 51471 1 1028 . 1 . 1 99 99 ALA HB1 H 1 1.446 0.020 . 1 . . . . . 98 ALA HB . 51471 1 1029 . 1 . 1 99 99 ALA HB2 H 1 1.446 0.020 . 1 . . . . . 98 ALA HB . 51471 1 1030 . 1 . 1 99 99 ALA HB3 H 1 1.446 0.020 . 1 . . . . . 98 ALA HB . 51471 1 1031 . 1 . 1 99 99 ALA C C 13 177.923 0.3 . 1 . . . . . 98 ALA C . 51471 1 1032 . 1 . 1 99 99 ALA CA C 13 54.870 0.3 . 1 . . . . . 98 ALA CA . 51471 1 1033 . 1 . 1 99 99 ALA CB C 13 17.993 0.3 . 1 . . . . . 98 ALA CB . 51471 1 1034 . 1 . 1 99 99 ALA N N 15 119.904 0.3 . 1 . . . . . 98 ALA N . 51471 1 1035 . 1 . 1 100 100 ALA H H 1 7.791 0.020 . 1 . . . . . 99 ALA H . 51471 1 1036 . 1 . 1 100 100 ALA HA H 1 4.071 0.020 . 1 . . . . . 99 ALA HA . 51471 1 1037 . 1 . 1 100 100 ALA HB1 H 1 1.445 0.020 . 1 . . . . . 99 ALA HB . 51471 1 1038 . 1 . 1 100 100 ALA HB2 H 1 1.445 0.020 . 1 . . . . . 99 ALA HB . 51471 1 1039 . 1 . 1 100 100 ALA HB3 H 1 1.445 0.020 . 1 . . . . . 99 ALA HB . 51471 1 1040 . 1 . 1 100 100 ALA C C 13 180.238 0.3 . 1 . . . . . 99 ALA C . 51471 1 1041 . 1 . 1 100 100 ALA CA C 13 54.017 0.3 . 1 . . . . . 99 ALA CA . 51471 1 1042 . 1 . 1 100 100 ALA CB C 13 18.982 0.3 . 1 . . . . . 99 ALA CB . 51471 1 1043 . 1 . 1 100 100 ALA N N 15 118.272 0.3 . 1 . . . . . 99 ALA N . 51471 1 1044 . 1 . 1 101 101 TYR H H 1 6.976 0.020 . 1 . . . . . 100 TYR H . 51471 1 1045 . 1 . 1 101 101 TYR HA H 1 4.345 0.020 . 1 . . . . . 100 TYR HA . 51471 1 1046 . 1 . 1 101 101 TYR HB2 H 1 3.420 0.020 . 2 . . . . . 100 TYR HB2 . 51471 1 1047 . 1 . 1 101 101 TYR HB3 H 1 2.636 0.020 . 2 . . . . . 100 TYR HB3 . 51471 1 1048 . 1 . 1 101 101 TYR C C 13 180.664 0.3 . 1 . . . . . 100 TYR C . 51471 1 1049 . 1 . 1 101 101 TYR CA C 13 61.294 0.3 . 1 . . . . . 100 TYR CA . 51471 1 1050 . 1 . 1 101 101 TYR CB C 13 39.598 0.3 . 1 . . . . . 100 TYR CB . 51471 1 1051 . 1 . 1 101 101 TYR N N 15 109.203 0.3 . 1 . . . . . 100 TYR N . 51471 1 1052 . 1 . 1 102 102 ARG H H 1 9.159 0.020 . 1 . . . . . 101 ARG H . 51471 1 1053 . 1 . 1 102 102 ARG HA H 1 3.949 0.020 . 1 . . . . . 101 ARG HA . 51471 1 1054 . 1 . 1 102 102 ARG HB2 H 1 2.062 0.020 . 2 . . . . . 101 ARG HB2 . 51471 1 1055 . 1 . 1 102 102 ARG HB3 H 1 1.949 0.020 . 2 . . . . . 101 ARG HB3 . 51471 1 1056 . 1 . 1 102 102 ARG HG2 H 1 1.695 0.020 . 2 . . . . . 101 ARG HG2 . 51471 1 1057 . 1 . 1 102 102 ARG HG3 H 1 1.482 0.020 . 2 . . . . . 101 ARG HG3 . 51471 1 1058 . 1 . 1 102 102 ARG HD2 H 1 3.231 0.020 . 2 . . . . . 101 ARG HD2 . 51471 1 1059 . 1 . 1 102 102 ARG HD3 H 1 3.164 0.020 . 2 . . . . . 101 ARG HD3 . 51471 1 1060 . 1 . 1 102 102 ARG C C 13 179.273 0.3 . 1 . . . . . 101 ARG C . 51471 1 1061 . 1 . 1 102 102 ARG CA C 13 60.946 0.3 . 1 . . . . . 101 ARG CA . 51471 1 1062 . 1 . 1 102 102 ARG CB C 13 28.839 0.3 . 1 . . . . . 101 ARG CB . 51471 1 1063 . 1 . 1 102 102 ARG CG C 13 26.535 0.3 . 1 . . . . . 101 ARG CG . 51471 1 1064 . 1 . 1 102 102 ARG CD C 13 42.544 0.3 . 1 . . . . . 101 ARG CD . 51471 1 1065 . 1 . 1 102 102 ARG N N 15 127.995 0.3 . 1 . . . . . 101 ARG N . 51471 1 1066 . 1 . 1 103 103 GLU H H 1 8.748 0.020 . 1 . . . . . 102 GLU H . 51471 1 1067 . 1 . 1 103 103 GLU HA H 1 3.959 0.020 . 1 . . . . . 102 GLU HA . 51471 1 1068 . 1 . 1 103 103 GLU C C 13 177.269 0.3 . 1 . . . . . 102 GLU C . 51471 1 1069 . 1 . 1 103 103 GLU CA C 13 58.035 0.3 . 1 . . . . . 102 GLU CA . 51471 1 1070 . 1 . 1 103 103 GLU CB C 13 29.708 0.3 . 1 . . . . . 102 GLU CB . 51471 1 1071 . 1 . 1 103 103 GLU CG C 13 36.734 0.3 . 1 . . . . . 102 GLU CG . 51471 1 1072 . 1 . 1 103 103 GLU N N 15 117.488 0.3 . 1 . . . . . 102 GLU N . 51471 1 1073 . 1 . 1 104 104 THR H H 1 7.630 0.020 . 1 . . . . . 103 THR H . 51471 1 1074 . 1 . 1 104 104 THR HA H 1 4.226 0.020 . 1 . . . . . 103 THR HA . 51471 1 1075 . 1 . 1 104 104 THR HB H 1 4.368 0.020 . 1 . . . . . 103 THR HB . 51471 1 1076 . 1 . 1 104 104 THR HG21 H 1 1.328 0.020 . 1 . . . . . 103 THR HG2 . 51471 1 1077 . 1 . 1 104 104 THR HG22 H 1 1.328 0.020 . 1 . . . . . 103 THR HG2 . 51471 1 1078 . 1 . 1 104 104 THR HG23 H 1 1.328 0.020 . 1 . . . . . 103 THR HG2 . 51471 1 1079 . 1 . 1 104 104 THR C C 13 174.685 0.3 . 1 . . . . . 103 THR C . 51471 1 1080 . 1 . 1 104 104 THR CA C 13 62.455 0.3 . 1 . . . . . 103 THR CA . 51471 1 1081 . 1 . 1 104 104 THR CB C 13 69.579 0.3 . 1 . . . . . 103 THR CB . 51471 1 1082 . 1 . 1 104 104 THR CG2 C 13 22.301 0.3 . 1 . . . . . 103 THR CG2 . 51471 1 1083 . 1 . 1 104 104 THR N N 15 106.127 0.3 . 1 . . . . . 103 THR N . 51471 1 1084 . 1 . 1 105 105 CYS H H 1 7.419 0.020 . 1 . . . . . 104 CYS H . 51471 1 1085 . 1 . 1 105 105 CYS HA H 1 4.217 0.020 . 1 . . . . . 104 CYS HA . 51471 1 1086 . 1 . 1 105 105 CYS HB2 H 1 2.894 0.020 . 2 . . . . . 104 CYS HB2 . 51471 1 1087 . 1 . 1 105 105 CYS HB3 H 1 3.074 0.020 . 2 . . . . . 104 CYS HB3 . 51471 1 1088 . 1 . 1 105 105 CYS C C 13 174.119 0.3 . 1 . . . . . 104 CYS C . 51471 1 1089 . 1 . 1 105 105 CYS CA C 13 61.927 0.3 . 1 . . . . . 104 CYS CA . 51471 1 1090 . 1 . 1 105 105 CYS CB C 13 27.932 0.3 . 1 . . . . . 104 CYS CB . 51471 1 1091 . 1 . 1 105 105 CYS N N 15 117.015 0.3 . 1 . . . . . 104 CYS N . 51471 1 1092 . 1 . 1 106 106 SER H H 1 7.365 0.020 . 1 . . . . . 105 SER H . 51471 1 1093 . 1 . 1 106 106 SER HA H 1 4.514 0.020 . 1 . . . . . 105 SER HA . 51471 1 1094 . 1 . 1 106 106 SER HB2 H 1 3.702 0.020 . 2 . . . . . 105 SER HB2 . 51471 1 1095 . 1 . 1 106 106 SER HB3 H 1 3.614 0.020 . 2 . . . . . 105 SER HB3 . 51471 1 1096 . 1 . 1 106 106 SER C C 13 172.156 0.3 . 1 . . . . . 105 SER C . 51471 1 1097 . 1 . 1 106 106 SER CA C 13 55.852 0.3 . 1 . . . . . 105 SER CA . 51471 1 1098 . 1 . 1 106 106 SER CB C 13 61.120 0.3 . 1 . . . . . 105 SER CB . 51471 1 1099 . 1 . 1 106 106 SER N N 15 120.287 0.3 . 1 . . . . . 105 SER N . 51471 1 1100 . 1 . 1 107 107 ARG H H 1 7.429 0.020 . 1 . . . . . 106 ARG H . 51471 1 1101 . 1 . 1 107 107 ARG HA H 1 4.479 0.020 . 1 . . . . . 106 ARG HA . 51471 1 1102 . 1 . 1 107 107 ARG C C 13 176.246 0.3 . 1 . . . . . 106 ARG C . 51471 1 1103 . 1 . 1 107 107 ARG CA C 13 52.624 0.3 . 1 . . . . . 106 ARG CA . 51471 1 1104 . 1 . 1 107 107 ARG CB C 13 29.199 0.3 . 1 . . . . . 106 ARG CB . 51471 1 1105 . 1 . 1 107 107 ARG CG C 13 26.291 0.3 . 1 . . . . . 106 ARG CG . 51471 1 1106 . 1 . 1 107 107 ARG CD C 13 42.343 0.3 . 1 . . . . . 106 ARG CD . 51471 1 1107 . 1 . 1 107 107 ARG N N 15 111.390 0.3 . 1 . . . . . 106 ARG N . 51471 1 1108 . 1 . 1 108 108 LEU H H 1 8.541 0.020 . 1 . . . . . 107 LEU H . 51471 1 1109 . 1 . 1 108 108 LEU HA H 1 4.692 0.020 . 1 . . . . . 107 LEU HA . 51471 1 1110 . 1 . 1 108 108 LEU HB2 H 1 1.775 0.020 . 2 . . . . . 107 LEU HB2 . 51471 1 1111 . 1 . 1 108 108 LEU HB3 H 1 1.586 0.020 . 2 . . . . . 107 LEU HB3 . 51471 1 1112 . 1 . 1 108 108 LEU HG H 1 1.687 0.020 . 1 . . . . . 107 LEU HG . 51471 1 1113 . 1 . 1 108 108 LEU HD11 H 1 0.970 0.020 . 1 . . . . . 107 LEU HD1 . 51471 1 1114 . 1 . 1 108 108 LEU HD12 H 1 0.970 0.020 . 1 . . . . . 107 LEU HD1 . 51471 1 1115 . 1 . 1 108 108 LEU HD13 H 1 0.970 0.020 . 1 . . . . . 107 LEU HD1 . 51471 1 1116 . 1 . 1 108 108 LEU HD21 H 1 0.930 0.020 . 1 . . . . . 107 LEU HD2 . 51471 1 1117 . 1 . 1 108 108 LEU HD22 H 1 0.930 0.020 . 1 . . . . . 107 LEU HD2 . 51471 1 1118 . 1 . 1 108 108 LEU HD23 H 1 0.930 0.020 . 1 . . . . . 107 LEU HD2 . 51471 1 1119 . 1 . 1 108 108 LEU C C 13 178.156 0.3 . 1 . . . . . 107 LEU C . 51471 1 1120 . 1 . 1 108 108 LEU CA C 13 54.110 0.3 . 1 . . . . . 107 LEU CA . 51471 1 1121 . 1 . 1 108 108 LEU CB C 13 43.063 0.3 . 1 . . . . . 107 LEU CB . 51471 1 1122 . 1 . 1 108 108 LEU CG C 13 27.318 0.3 . 1 . . . . . 107 LEU CG . 51471 1 1123 . 1 . 1 108 108 LEU CD1 C 13 25.057 0.3 . 1 . . . . . 107 LEU CD1 . 51471 1 1124 . 1 . 1 108 108 LEU CD2 C 13 23.053 0.3 . 1 . . . . . 107 LEU CD2 . 51471 1 1125 . 1 . 1 108 108 LEU N N 15 120.651 0.3 . 1 . . . . . 107 LEU N . 51471 1 1126 . 1 . 1 109 109 GLY H H 1 8.551 0.020 . 1 . . . . . 108 GLY H . 51471 1 1127 . 1 . 1 109 109 GLY HA2 H 1 4.508 0.020 . 2 . . . . . 108 GLY HA2 . 51471 1 1128 . 1 . 1 109 109 GLY HA3 H 1 4.180 0.020 . 2 . . . . . 108 GLY HA3 . 51471 1 1129 . 1 . 1 109 109 GLY C C 13 173.895 0.3 . 1 . . . . . 108 GLY C . 51471 1 1130 . 1 . 1 109 109 GLY CA C 13 43.823 0.3 . 1 . . . . . 108 GLY CA . 51471 1 1131 . 1 . 1 109 109 GLY N N 15 109.476 0.3 . 1 . . . . . 108 GLY N . 51471 1 1132 . 1 . 1 110 110 THR H H 1 8.206 0.020 . 1 . . . . . 109 THR H . 51471 1 1133 . 1 . 1 110 110 THR HA H 1 4.667 0.020 . 1 . . . . . 109 THR HA . 51471 1 1134 . 1 . 1 110 110 THR HB H 1 4.650 0.020 . 1 . . . . . 109 THR HB . 51471 1 1135 . 1 . 1 110 110 THR HG21 H 1 1.493 0.020 . 1 . . . . . 109 THR HG2 . 51471 1 1136 . 1 . 1 110 110 THR HG22 H 1 1.493 0.020 . 1 . . . . . 109 THR HG2 . 51471 1 1137 . 1 . 1 110 110 THR HG23 H 1 1.493 0.020 . 1 . . . . . 109 THR HG2 . 51471 1 1138 . 1 . 1 110 110 THR C C 13 174.325 0.3 . 1 . . . . . 109 THR C . 51471 1 1139 . 1 . 1 110 110 THR CA C 13 60.619 0.3 . 1 . . . . . 109 THR CA . 51471 1 1140 . 1 . 1 110 110 THR CB C 13 72.863 0.3 . 1 . . . . . 109 THR CB . 51471 1 1141 . 1 . 1 110 110 THR CG2 C 13 22.508 0.3 . 1 . . . . . 109 THR CG2 . 51471 1 1142 . 1 . 1 110 110 THR N N 15 109.849 0.3 . 1 . . . . . 109 THR N . 51471 1 1143 . 1 . 1 111 111 ALA H H 1 9.390 0.020 . 1 . . . . . 110 ALA H . 51471 1 1144 . 1 . 1 111 111 ALA HA H 1 5.619 0.020 . 1 . . . . . 110 ALA HA . 51471 1 1145 . 1 . 1 111 111 ALA HB1 H 1 0.934 0.020 . 1 . . . . . 110 ALA HB . 51471 1 1146 . 1 . 1 111 111 ALA HB2 H 1 0.934 0.020 . 1 . . . . . 110 ALA HB . 51471 1 1147 . 1 . 1 111 111 ALA HB3 H 1 0.934 0.020 . 1 . . . . . 110 ALA HB . 51471 1 1148 . 1 . 1 111 111 ALA C C 13 174.251 0.3 . 1 . . . . . 110 ALA C . 51471 1 1149 . 1 . 1 111 111 ALA CA C 13 50.367 0.3 . 1 . . . . . 110 ALA CA . 51471 1 1150 . 1 . 1 111 111 ALA CB C 13 22.663 0.3 . 1 . . . . . 110 ALA CB . 51471 1 1151 . 1 . 1 111 111 ALA N N 15 123.291 0.3 . 1 . . . . . 110 ALA N . 51471 1 1152 . 1 . 1 112 112 ALA H H 1 8.210 0.020 . 1 . . . . . 111 ALA H . 51471 1 1153 . 1 . 1 112 112 ALA HA H 1 5.645 0.020 . 1 . . . . . 111 ALA HA . 51471 1 1154 . 1 . 1 112 112 ALA HB1 H 1 1.699 0.020 . 1 . . . . . 111 ALA HB . 51471 1 1155 . 1 . 1 112 112 ALA HB2 H 1 1.699 0.020 . 1 . . . . . 111 ALA HB . 51471 1 1156 . 1 . 1 112 112 ALA HB3 H 1 1.699 0.020 . 1 . . . . . 111 ALA HB . 51471 1 1157 . 1 . 1 112 112 ALA C C 13 175.318 0.3 . 1 . . . . . 111 ALA C . 51471 1 1158 . 1 . 1 112 112 ALA CA C 13 50.048 0.3 . 1 . . . . . 111 ALA CA . 51471 1 1159 . 1 . 1 112 112 ALA CB C 13 20.826 0.3 . 1 . . . . . 111 ALA CB . 51471 1 1160 . 1 . 1 112 112 ALA N N 15 123.264 0.3 . 1 . . . . . 111 ALA N . 51471 1 1161 . 1 . 1 113 113 TYR H H 1 9.717 0.020 . 1 . . . . . 112 TYR H . 51471 1 1162 . 1 . 1 113 113 TYR HA H 1 4.935 0.020 . 1 . . . . . 112 TYR HA . 51471 1 1163 . 1 . 1 113 113 TYR HB2 H 1 3.689 0.020 . 2 . . . . . 112 TYR HB2 . 51471 1 1164 . 1 . 1 113 113 TYR HB3 H 1 2.971 0.020 . 2 . . . . . 112 TYR HB3 . 51471 1 1165 . 1 . 1 113 113 TYR C C 13 174.695 0.3 . 1 . . . . . 112 TYR C . 51471 1 1166 . 1 . 1 113 113 TYR CA C 13 56.943 0.3 . 1 . . . . . 112 TYR CA . 51471 1 1167 . 1 . 1 113 113 TYR CB C 13 41.734 0.3 . 1 . . . . . 112 TYR CB . 51471 1 1168 . 1 . 1 113 113 TYR N N 15 119.172 0.3 . 1 . . . . . 112 TYR N . 51471 1 1169 . 1 . 1 114 114 PRO HA H 1 5.506 0.020 . 1 . . . . . 113 PRO HA . 51471 1 1170 . 1 . 1 114 114 PRO HB2 H 1 1.780 0.020 . 2 . . . . . 113 PRO HB2 . 51471 1 1171 . 1 . 1 114 114 PRO HB3 H 1 1.595 0.020 . 2 . . . . . 113 PRO HB3 . 51471 1 1172 . 1 . 1 114 114 PRO HG2 H 1 1.427 0.020 . 2 . . . . . 113 PRO HG2 . 51471 1 1173 . 1 . 1 114 114 PRO HG3 H 1 1.863 0.020 . 2 . . . . . 113 PRO HG3 . 51471 1 1174 . 1 . 1 114 114 PRO HD2 H 1 4.203 0.020 . 2 . . . . . 113 PRO HD2 . 51471 1 1175 . 1 . 1 114 114 PRO HD3 H 1 3.518 0.020 . 2 . . . . . 113 PRO HD3 . 51471 1 1176 . 1 . 1 114 114 PRO C C 13 174.777 0.3 . 1 . . . . . 113 PRO C . 51471 1 1177 . 1 . 1 114 114 PRO CA C 13 60.800 0.3 . 1 . . . . . 113 PRO CA . 51471 1 1178 . 1 . 1 114 114 PRO CB C 13 33.138 0.3 . 1 . . . . . 113 PRO CB . 51471 1 1179 . 1 . 1 114 114 PRO CG C 13 25.006 0.3 . 1 . . . . . 113 PRO CG . 51471 1 1180 . 1 . 1 114 114 PRO CD C 13 48.780 0.3 . 1 . . . . . 113 PRO CD . 51471 1 1181 . 1 . 1 115 115 LEU H H 1 9.209 0.020 . 1 . . . . . 114 LEU H . 51471 1 1182 . 1 . 1 115 115 LEU HA H 1 4.494 0.020 . 1 . . . . . 114 LEU HA . 51471 1 1183 . 1 . 1 115 115 LEU HB2 H 1 2.756 0.020 . 2 . . . . . 114 LEU HB2 . 51471 1 1184 . 1 . 1 115 115 LEU HB3 H 1 2.193 0.020 . 2 . . . . . 114 LEU HB3 . 51471 1 1185 . 1 . 1 115 115 LEU HG H 1 1.789 0.020 . 1 . . . . . 114 LEU HG . 51471 1 1186 . 1 . 1 115 115 LEU C C 13 177.137 0.3 . 1 . . . . . 114 LEU C . 51471 1 1187 . 1 . 1 115 115 LEU CA C 13 52.575 0.3 . 1 . . . . . 114 LEU CA . 51471 1 1188 . 1 . 1 115 115 LEU CB C 13 41.060 0.3 . 1 . . . . . 114 LEU CB . 51471 1 1189 . 1 . 1 115 115 LEU CG C 13 29.405 0.3 . 1 . . . . . 114 LEU CG . 51471 1 1190 . 1 . 1 115 115 LEU CD1 C 13 25.636 0.3 . 1 . . . . . 114 LEU CD1 . 51471 1 1191 . 1 . 1 115 115 LEU CD2 C 13 25.429 0.3 . 1 . . . . . 114 LEU CD2 . 51471 1 1192 . 1 . 1 115 115 LEU N N 15 116.487 0.3 . 1 . . . . . 114 LEU N . 51471 1 1193 . 1 . 1 116 116 LEU H H 1 7.766 0.020 . 1 . . . . . 115 LEU H . 51471 1 1194 . 1 . 1 116 116 LEU HA H 1 3.561 0.020 . 1 . . . . . 115 LEU HA . 51471 1 1195 . 1 . 1 116 116 LEU HB2 H 1 1.453 0.020 . 2 . . . . . 115 LEU HB2 . 51471 1 1196 . 1 . 1 116 116 LEU HB3 H 1 1.570 0.020 . 2 . . . . . 115 LEU HB3 . 51471 1 1197 . 1 . 1 116 116 LEU HG H 1 0.688 0.020 . 1 . . . . . 115 LEU HG . 51471 1 1198 . 1 . 1 116 116 LEU HD11 H 1 -0.132 0.020 . 1 . . . . . 115 LEU HD1 . 51471 1 1199 . 1 . 1 116 116 LEU HD12 H 1 -0.132 0.020 . 1 . . . . . 115 LEU HD1 . 51471 1 1200 . 1 . 1 116 116 LEU HD13 H 1 -0.132 0.020 . 1 . . . . . 115 LEU HD1 . 51471 1 1201 . 1 . 1 116 116 LEU HD21 H 1 0.857 0.020 . 1 . . . . . 115 LEU HD2 . 51471 1 1202 . 1 . 1 116 116 LEU HD22 H 1 0.857 0.020 . 1 . . . . . 115 LEU HD2 . 51471 1 1203 . 1 . 1 116 116 LEU HD23 H 1 0.857 0.020 . 1 . . . . . 115 LEU HD2 . 51471 1 1204 . 1 . 1 116 116 LEU C C 13 176.942 0.3 . 1 . . . . . 115 LEU C . 51471 1 1205 . 1 . 1 116 116 LEU CA C 13 56.385 0.3 . 1 . . . . . 115 LEU CA . 51471 1 1206 . 1 . 1 116 116 LEU CB C 13 42.221 0.3 . 1 . . . . . 115 LEU CB . 51471 1 1207 . 1 . 1 116 116 LEU CG C 13 25.994 0.3 . 1 . . . . . 115 LEU CG . 51471 1 1208 . 1 . 1 116 116 LEU CD1 C 13 24.483 0.3 . 1 . . . . . 115 LEU CD1 . 51471 1 1209 . 1 . 1 116 116 LEU CD2 C 13 23.493 0.3 . 1 . . . . . 115 LEU CD2 . 51471 1 1210 . 1 . 1 116 116 LEU N N 15 127.954 0.3 . 1 . . . . . 115 LEU N . 51471 1 1211 . 1 . 1 117 117 GLY H H 1 8.971 0.020 . 1 . . . . . 116 GLY H . 51471 1 1212 . 1 . 1 117 117 GLY HA2 H 1 4.019 0.020 . 2 . . . . . 116 GLY HA2 . 51471 1 1213 . 1 . 1 117 117 GLY HA3 H 1 3.831 0.020 . 2 . . . . . 116 GLY HA3 . 51471 1 1214 . 1 . 1 117 117 GLY C C 13 174.342 0.3 . 1 . . . . . 116 GLY C . 51471 1 1215 . 1 . 1 117 117 GLY CA C 13 46.960 0.3 . 1 . . . . . 116 GLY CA . 51471 1 1216 . 1 . 1 117 117 GLY N N 15 112.499 0.3 . 1 . . . . . 116 GLY N . 51471 1 1217 . 1 . 1 118 118 THR H H 1 6.937 0.020 . 1 . . . . . 117 THR H . 51471 1 1218 . 1 . 1 118 118 THR HA H 1 4.870 0.020 . 1 . . . . . 117 THR HA . 51471 1 1219 . 1 . 1 118 118 THR HB H 1 4.570 0.020 . 1 . . . . . 117 THR HB . 51471 1 1220 . 1 . 1 118 118 THR HG21 H 1 1.148 0.020 . 1 . . . . . 117 THR HG2 . 51471 1 1221 . 1 . 1 118 118 THR HG22 H 1 1.148 0.020 . 1 . . . . . 117 THR HG2 . 51471 1 1222 . 1 . 1 118 118 THR HG23 H 1 1.148 0.020 . 1 . . . . . 117 THR HG2 . 51471 1 1223 . 1 . 1 118 118 THR C C 13 174.917 0.3 . 1 . . . . . 117 THR C . 51471 1 1224 . 1 . 1 118 118 THR CA C 13 62.169 0.3 . 1 . . . . . 117 THR CA . 51471 1 1225 . 1 . 1 118 118 THR CB C 13 70.627 0.3 . 1 . . . . . 117 THR CB . 51471 1 1226 . 1 . 1 118 118 THR CG2 C 13 21.890 0.3 . 1 . . . . . 117 THR CG2 . 51471 1 1227 . 1 . 1 118 118 THR N N 15 103.798 0.3 . 1 . . . . . 117 THR N . 51471 1 1228 . 1 . 1 119 119 GLY H H 1 9.385 0.020 . 1 . . . . . 118 GLY H . 51471 1 1229 . 1 . 1 119 119 GLY HA2 H 1 4.479 0.020 . 2 . . . . . 118 GLY HA2 . 51471 1 1230 . 1 . 1 119 119 GLY HA3 H 1 4.372 0.020 . 2 . . . . . 118 GLY HA3 . 51471 1 1231 . 1 . 1 119 119 GLY C C 13 171.195 0.3 . 1 . . . . . 118 GLY C . 51471 1 1232 . 1 . 1 119 119 GLY CA C 13 44.281 0.3 . 1 . . . . . 118 GLY CA . 51471 1 1233 . 1 . 1 119 119 GLY N N 15 117.185 0.3 . 1 . . . . . 118 GLY N . 51471 1 1234 . 1 . 1 120 120 ILE HA H 1 3.699 0.020 . 1 . . . . . 119 ILE HA . 51471 1 1235 . 1 . 1 120 120 ILE HB H 1 2.007 0.020 . 1 . . . . . 119 ILE HB . 51471 1 1236 . 1 . 1 120 120 ILE HG12 H 1 1.726 0.020 . 2 . . . . . 119 ILE HG12 . 51471 1 1237 . 1 . 1 120 120 ILE HG13 H 1 1.191 0.020 . 2 . . . . . 119 ILE HG13 . 51471 1 1238 . 1 . 1 120 120 ILE HG21 H 1 0.962 0.020 . 1 . . . . . 119 ILE HG2 . 51471 1 1239 . 1 . 1 120 120 ILE HG22 H 1 0.962 0.020 . 1 . . . . . 119 ILE HG2 . 51471 1 1240 . 1 . 1 120 120 ILE HG23 H 1 0.962 0.020 . 1 . . . . . 119 ILE HG2 . 51471 1 1241 . 1 . 1 120 120 ILE HD11 H 1 0.977 0.020 . 1 . . . . . 119 ILE HD1 . 51471 1 1242 . 1 . 1 120 120 ILE HD12 H 1 0.977 0.020 . 1 . . . . . 119 ILE HD1 . 51471 1 1243 . 1 . 1 120 120 ILE HD13 H 1 0.977 0.020 . 1 . . . . . 119 ILE HD1 . 51471 1 1244 . 1 . 1 120 120 ILE C C 13 177.576 0.3 . 1 . . . . . 119 ILE C . 51471 1 1245 . 1 . 1 120 120 ILE CA C 13 64.709 0.3 . 1 . . . . . 119 ILE CA . 51471 1 1246 . 1 . 1 120 120 ILE CB C 13 36.800 0.3 . 1 . . . . . 119 ILE CB . 51471 1 1247 . 1 . 1 120 120 ILE CG1 C 13 30.664 0.3 . 1 . . . . . 119 ILE CG1 . 51471 1 1248 . 1 . 1 120 120 ILE CG2 C 13 17.220 0.3 . 1 . . . . . 119 ILE CG2 . 51471 1 1249 . 1 . 1 120 120 ILE CD1 C 13 12.785 0.3 . 1 . . . . . 119 ILE CD1 . 51471 1 1250 . 1 . 1 121 121 TYR H H 1 8.083 0.020 . 1 . . . . . 120 TYR H . 51471 1 1251 . 1 . 1 121 121 TYR HA H 1 5.005 0.020 . 1 . . . . . 120 TYR HA . 51471 1 1252 . 1 . 1 121 121 TYR HB2 H 1 4.060 0.020 . 2 . . . . . 120 TYR HB2 . 51471 1 1253 . 1 . 1 121 121 TYR HB3 H 1 3.340 0.020 . 2 . . . . . 120 TYR HB3 . 51471 1 1254 . 1 . 1 121 121 TYR C C 13 175.740 0.3 . 1 . . . . . 120 TYR C . 51471 1 1255 . 1 . 1 121 121 TYR CA C 13 55.011 0.3 . 1 . . . . . 120 TYR CA . 51471 1 1256 . 1 . 1 121 121 TYR CB C 13 36.501 0.3 . 1 . . . . . 120 TYR CB . 51471 1 1257 . 1 . 1 121 121 TYR CD1 C 13 131.278 0.3 . 1 . . . . . 120 TYR CD1 . 51471 1 1258 . 1 . 1 121 121 TYR CE1 C 13 117.913 0.3 . 1 . . . . . 120 TYR CE1 . 51471 1 1259 . 1 . 1 121 121 TYR N N 15 117.522 0.3 . 1 . . . . . 120 TYR N . 51471 1 1260 . 1 . 1 122 122 GLN H H 1 7.648 0.020 . 1 . . . . . 121 GLN H . 51471 1 1261 . 1 . 1 122 122 GLN HA H 1 3.644 0.020 . 1 . . . . . 121 GLN HA . 51471 1 1262 . 1 . 1 122 122 GLN HB2 H 1 2.349 0.020 . 2 . . . . . 121 GLN HB2 . 51471 1 1263 . 1 . 1 122 122 GLN HB3 H 1 2.012 0.020 . 2 . . . . . 121 GLN HB3 . 51471 1 1264 . 1 . 1 122 122 GLN HG2 H 1 2.482 0.020 . 2 . . . . . 121 GLN HG2 . 51471 1 1265 . 1 . 1 122 122 GLN HG3 H 1 2.384 0.020 . 2 . . . . . 121 GLN HG3 . 51471 1 1266 . 1 . 1 122 122 GLN HE21 H 1 6.855 0.020 . 1 . . . . . 121 GLN HE21 . 51471 1 1267 . 1 . 1 122 122 GLN HE22 H 1 7.541 0.020 . 1 . . . . . 121 GLN HE22 . 51471 1 1268 . 1 . 1 122 122 GLN C C 13 174.836 0.3 . 1 . . . . . 121 GLN C . 51471 1 1269 . 1 . 1 122 122 GLN CA C 13 57.619 0.3 . 1 . . . . . 121 GLN CA . 51471 1 1270 . 1 . 1 122 122 GLN CB C 13 25.579 0.3 . 1 . . . . . 121 GLN CB . 51471 1 1271 . 1 . 1 122 122 GLN CG C 13 34.083 0.3 . 1 . . . . . 121 GLN CG . 51471 1 1272 . 1 . 1 122 122 GLN N N 15 108.019 0.3 . 1 . . . . . 121 GLN N . 51471 1 1273 . 1 . 1 122 122 GLN NE2 N 15 112.191 0.3 . 1 . . . . . 121 GLN NE2 . 51471 1 1274 . 1 . 1 123 123 VAL H H 1 9.143 0.020 . 1 . . . . . 122 VAL H . 51471 1 1275 . 1 . 1 123 123 VAL HA H 1 3.428 0.020 . 1 . . . . . 122 VAL HA . 51471 1 1276 . 1 . 1 123 123 VAL HB H 1 1.266 0.020 . 1 . . . . . 122 VAL HB . 51471 1 1277 . 1 . 1 123 123 VAL HG11 H 1 0.526 0.020 . 1 . . . . . 122 VAL HG1 . 51471 1 1278 . 1 . 1 123 123 VAL HG12 H 1 0.526 0.020 . 1 . . . . . 122 VAL HG1 . 51471 1 1279 . 1 . 1 123 123 VAL HG13 H 1 0.526 0.020 . 1 . . . . . 122 VAL HG1 . 51471 1 1280 . 1 . 1 123 123 VAL HG21 H 1 0.669 0.020 . 1 . . . . . 122 VAL HG2 . 51471 1 1281 . 1 . 1 123 123 VAL HG22 H 1 0.669 0.020 . 1 . . . . . 122 VAL HG2 . 51471 1 1282 . 1 . 1 123 123 VAL HG23 H 1 0.669 0.020 . 1 . . . . . 122 VAL HG2 . 51471 1 1283 . 1 . 1 123 123 VAL C C 13 175.106 0.3 . 1 . . . . . 122 VAL C . 51471 1 1284 . 1 . 1 123 123 VAL CA C 13 60.669 0.3 . 1 . . . . . 122 VAL CA . 51471 1 1285 . 1 . 1 123 123 VAL CB C 13 31.797 0.3 . 1 . . . . . 122 VAL CB . 51471 1 1286 . 1 . 1 123 123 VAL CG1 C 13 21.508 0.3 . 1 . . . . . 122 VAL CG1 . 51471 1 1287 . 1 . 1 123 123 VAL CG2 C 13 22.116 0.3 . 1 . . . . . 122 VAL CG2 . 51471 1 1288 . 1 . 1 123 123 VAL N N 15 124.718 0.3 . 1 . . . . . 122 VAL N . 51471 1 1289 . 1 . 1 124 124 PRO HA H 1 4.332 0.020 . 1 . . . . . 123 PRO HA . 51471 1 1290 . 1 . 1 124 124 PRO HB2 H 1 1.755 0.020 . 2 . . . . . 123 PRO HB2 . 51471 1 1291 . 1 . 1 124 124 PRO HB3 H 1 2.367 0.020 . 2 . . . . . 123 PRO HB3 . 51471 1 1292 . 1 . 1 124 124 PRO HD2 H 1 3.965 0.020 . 2 . . . . . 123 PRO HD2 . 51471 1 1293 . 1 . 1 124 124 PRO HD3 H 1 3.237 0.020 . 2 . . . . . 123 PRO HD3 . 51471 1 1294 . 1 . 1 124 124 PRO C C 13 175.657 0.3 . 1 . . . . . 123 PRO C . 51471 1 1295 . 1 . 1 124 124 PRO CA C 13 62.452 0.3 . 1 . . . . . 123 PRO CA . 51471 1 1296 . 1 . 1 124 124 PRO CB C 13 31.109 0.3 . 1 . . . . . 123 PRO CB . 51471 1 1297 . 1 . 1 124 124 PRO CG C 13 27.477 0.3 . 1 . . . . . 123 PRO CG . 51471 1 1298 . 1 . 1 124 124 PRO CD C 13 51.345 0.3 . 1 . . . . . 123 PRO CD . 51471 1 1299 . 1 . 1 125 125 ILE H H 1 7.914 0.020 . 1 . . . . . 124 ILE H . 51471 1 1300 . 1 . 1 125 125 ILE HA H 1 3.296 0.020 . 1 . . . . . 124 ILE HA . 51471 1 1301 . 1 . 1 125 125 ILE HB H 1 0.963 0.020 . 1 . . . . . 124 ILE HB . 51471 1 1302 . 1 . 1 125 125 ILE HG12 H 1 1.422 0.020 . 2 . . . . . 124 ILE HG12 . 51471 1 1303 . 1 . 1 125 125 ILE HG13 H 1 0.753 0.020 . 2 . . . . . 124 ILE HG13 . 51471 1 1304 . 1 . 1 125 125 ILE HG21 H 1 -0.003 0.020 . 1 . . . . . 124 ILE HG2 . 51471 1 1305 . 1 . 1 125 125 ILE HG22 H 1 -0.003 0.020 . 1 . . . . . 124 ILE HG2 . 51471 1 1306 . 1 . 1 125 125 ILE HG23 H 1 -0.003 0.020 . 1 . . . . . 124 ILE HG2 . 51471 1 1307 . 1 . 1 125 125 ILE HD11 H 1 0.659 0.020 . 1 . . . . . 124 ILE HD1 . 51471 1 1308 . 1 . 1 125 125 ILE HD12 H 1 0.659 0.020 . 1 . . . . . 124 ILE HD1 . 51471 1 1309 . 1 . 1 125 125 ILE HD13 H 1 0.659 0.020 . 1 . . . . . 124 ILE HD1 . 51471 1 1310 . 1 . 1 125 125 ILE C C 13 176.778 0.3 . 1 . . . . . 124 ILE C . 51471 1 1311 . 1 . 1 125 125 ILE CA C 13 65.720 0.3 . 1 . . . . . 124 ILE CA . 51471 1 1312 . 1 . 1 125 125 ILE CB C 13 38.235 0.3 . 1 . . . . . 124 ILE CB . 51471 1 1313 . 1 . 1 125 125 ILE CG1 C 13 28.764 0.3 . 1 . . . . . 124 ILE CG1 . 51471 1 1314 . 1 . 1 125 125 ILE CG2 C 13 15.926 0.3 . 1 . . . . . 124 ILE CG2 . 51471 1 1315 . 1 . 1 125 125 ILE CD1 C 13 12.892 0.3 . 1 . . . . . 124 ILE CD1 . 51471 1 1316 . 1 . 1 125 125 ILE N N 15 119.362 0.3 . 1 . . . . . 124 ILE N . 51471 1 1317 . 1 . 1 126 126 GLY H H 1 8.190 0.020 . 1 . . . . . 125 GLY H . 51471 1 1318 . 1 . 1 126 126 GLY HA2 H 1 3.817 0.020 . 2 . . . . . 125 GLY HA2 . 51471 1 1319 . 1 . 1 126 126 GLY HA3 H 1 3.536 0.020 . 2 . . . . . 125 GLY HA3 . 51471 1 1320 . 1 . 1 126 126 GLY C C 13 174.685 0.3 . 1 . . . . . 125 GLY C . 51471 1 1321 . 1 . 1 126 126 GLY CA C 13 48.240 0.3 . 1 . . . . . 125 GLY CA . 51471 1 1322 . 1 . 1 126 126 GLY N N 15 104.599 0.3 . 1 . . . . . 125 GLY N . 51471 1 1323 . 1 . 1 127 127 PRO HA H 1 4.015 0.020 . 1 . . . . . 126 PRO HA . 51471 1 1324 . 1 . 1 127 127 PRO HD2 H 1 4.023 0.020 . 2 . . . . . 126 PRO HD2 . 51471 1 1325 . 1 . 1 127 127 PRO HD3 H 1 3.518 0.020 . 2 . . . . . 126 PRO HD3 . 51471 1 1326 . 1 . 1 127 127 PRO C C 13 179.420 0.3 . 1 . . . . . 126 PRO C . 51471 1 1327 . 1 . 1 127 127 PRO CA C 13 65.029 0.3 . 1 . . . . . 126 PRO CA . 51471 1 1328 . 1 . 1 127 127 PRO CB C 13 31.806 0.3 . 1 . . . . . 126 PRO CB . 51471 1 1329 . 1 . 1 127 127 PRO CG C 13 27.934 0.3 . 1 . . . . . 126 PRO CG . 51471 1 1330 . 1 . 1 127 127 PRO CD C 13 50.711 0.3 . 1 . . . . . 126 PRO CD . 51471 1 1331 . 1 . 1 128 128 SER H H 1 7.123 0.020 . 1 . . . . . 127 SER H . 51471 1 1332 . 1 . 1 128 128 SER HA H 1 4.239 0.020 . 1 . . . . . 127 SER HA . 51471 1 1333 . 1 . 1 128 128 SER HB2 H 1 3.828 0.020 . 2 . . . . . 127 SER HB2 . 51471 1 1334 . 1 . 1 128 128 SER HB3 H 1 3.781 0.020 . 2 . . . . . 127 SER HB3 . 51471 1 1335 . 1 . 1 128 128 SER CA C 13 61.596 0.3 . 1 . . . . . 127 SER CA . 51471 1 1336 . 1 . 1 128 128 SER CB C 13 64.128 0.3 . 1 . . . . . 127 SER CB . 51471 1 1337 . 1 . 1 128 128 SER N N 15 110.392 0.3 . 1 . . . . . 127 SER N . 51471 1 1338 . 1 . 1 129 129 PHE H H 1 8.882 0.020 . 1 . . . . . 128 PHE H . 51471 1 1339 . 1 . 1 129 129 PHE HA H 1 3.823 0.020 . 1 . . . . . 128 PHE HA . 51471 1 1340 . 1 . 1 129 129 PHE HB2 H 1 3.479 0.020 . 2 . . . . . 128 PHE HB2 . 51471 1 1341 . 1 . 1 129 129 PHE HB3 H 1 2.923 0.020 . 2 . . . . . 128 PHE HB3 . 51471 1 1342 . 1 . 1 129 129 PHE C C 13 177.023 0.3 . 1 . . . . . 128 PHE C . 51471 1 1343 . 1 . 1 129 129 PHE CA C 13 62.723 0.3 . 1 . . . . . 128 PHE CA . 51471 1 1344 . 1 . 1 129 129 PHE CB C 13 39.083 0.3 . 1 . . . . . 128 PHE CB . 51471 1 1345 . 1 . 1 129 129 PHE CE1 C 13 131.426 0.3 . 1 . . . . . 128 PHE CE1 . 51471 1 1346 . 1 . 1 129 129 PHE N N 15 120.940 0.3 . 1 . . . . . 128 PHE N . 51471 1 1347 . 1 . 1 130 130 ASP H H 1 9.148 0.020 . 1 . . . . . 129 ASP H . 51471 1 1348 . 1 . 1 130 130 ASP HA H 1 4.206 0.020 . 1 . . . . . 129 ASP HA . 51471 1 1349 . 1 . 1 130 130 ASP HB2 H 1 2.757 0.020 . 2 . . . . . 129 ASP HB2 . 51471 1 1350 . 1 . 1 130 130 ASP HB3 H 1 2.678 0.020 . 2 . . . . . 129 ASP HB3 . 51471 1 1351 . 1 . 1 130 130 ASP C C 13 178.061 0.3 . 1 . . . . . 129 ASP C . 51471 1 1352 . 1 . 1 130 130 ASP CA C 13 57.156 0.3 . 1 . . . . . 129 ASP CA . 51471 1 1353 . 1 . 1 130 130 ASP CB C 13 40.461 0.3 . 1 . . . . . 129 ASP CB . 51471 1 1354 . 1 . 1 130 130 ASP N N 15 120.028 0.3 . 1 . . . . . 129 ASP N . 51471 1 1355 . 1 . 1 131 131 ALA H H 1 7.646 0.020 . 1 . . . . . 130 ALA H . 51471 1 1356 . 1 . 1 131 131 ALA HA H 1 3.959 0.020 . 1 . . . . . 130 ALA HA . 51471 1 1357 . 1 . 1 131 131 ALA HB1 H 1 1.523 0.020 . 1 . . . . . 130 ALA HB . 51471 1 1358 . 1 . 1 131 131 ALA HB2 H 1 1.523 0.020 . 1 . . . . . 130 ALA HB . 51471 1 1359 . 1 . 1 131 131 ALA HB3 H 1 1.523 0.020 . 1 . . . . . 130 ALA HB . 51471 1 1360 . 1 . 1 131 131 ALA C C 13 179.457 0.3 . 1 . . . . . 130 ALA C . 51471 1 1361 . 1 . 1 131 131 ALA CA C 13 54.849 0.3 . 1 . . . . . 130 ALA CA . 51471 1 1362 . 1 . 1 131 131 ALA CB C 13 18.568 0.3 . 1 . . . . . 130 ALA CB . 51471 1 1363 . 1 . 1 131 131 ALA N N 15 120.411 0.3 . 1 . . . . . 130 ALA N . 51471 1 1364 . 1 . 1 132 132 TRP H H 1 7.633 0.020 . 1 . . . . . 131 TRP H . 51471 1 1365 . 1 . 1 132 132 TRP HA H 1 2.686 0.020 . 1 . . . . . 131 TRP HA . 51471 1 1366 . 1 . 1 132 132 TRP HB2 H 1 2.921 0.020 . 2 . . . . . 131 TRP HB2 . 51471 1 1367 . 1 . 1 132 132 TRP HB3 H 1 2.584 0.020 . 2 . . . . . 131 TRP HB3 . 51471 1 1368 . 1 . 1 132 132 TRP HD1 H 1 5.973 0.020 . 1 . . . . . 131 TRP HD1 . 51471 1 1369 . 1 . 1 132 132 TRP HE1 H 1 10.556 0.020 . 1 . . . . . 131 TRP HE1 . 51471 1 1370 . 1 . 1 132 132 TRP HZ3 H 1 7.249 0.020 . 1 . . . . . 131 TRP HZ3 . 51471 1 1371 . 1 . 1 132 132 TRP HH2 H 1 7.008 0.020 . 1 . . . . . 131 TRP HH2 . 51471 1 1372 . 1 . 1 132 132 TRP C C 13 179.968 0.3 . 1 . . . . . 131 TRP C . 51471 1 1373 . 1 . 1 132 132 TRP CA C 13 61.608 0.3 . 1 . . . . . 131 TRP CA . 51471 1 1374 . 1 . 1 132 132 TRP CB C 13 25.422 0.3 . 1 . . . . . 131 TRP CB . 51471 1 1375 . 1 . 1 132 132 TRP CH2 C 13 124.424 0.3 . 1 . . . . . 131 TRP CH2 . 51471 1 1376 . 1 . 1 132 132 TRP N N 15 121.446 0.3 . 1 . . . . . 131 TRP N . 51471 1 1377 . 1 . 1 132 132 TRP NE1 N 15 122.329 0.3 . 1 . . . . . 131 TRP NE1 . 51471 1 1378 . 1 . 1 133 133 GLU H H 1 8.997 0.020 . 1 . . . . . 132 GLU H . 51471 1 1379 . 1 . 1 133 133 GLU HA H 1 2.625 0.020 . 1 . . . . . 132 GLU HA . 51471 1 1380 . 1 . 1 133 133 GLU HB2 H 1 2.018 0.020 . 2 . . . . . 132 GLU HB2 . 51471 1 1381 . 1 . 1 133 133 GLU HB3 H 1 1.773 0.020 . 2 . . . . . 132 GLU HB3 . 51471 1 1382 . 1 . 1 133 133 GLU HG2 H 1 2.099 0.020 . 2 . . . . . 132 GLU HG2 . 51471 1 1383 . 1 . 1 133 133 GLU HG3 H 1 2.033 0.020 . 2 . . . . . 132 GLU HG3 . 51471 1 1384 . 1 . 1 133 133 GLU C C 13 177.430 0.3 . 1 . . . . . 132 GLU C . 51471 1 1385 . 1 . 1 133 133 GLU CA C 13 60.297 0.3 . 1 . . . . . 132 GLU CA . 51471 1 1386 . 1 . 1 133 133 GLU CB C 13 29.210 0.3 . 1 . . . . . 132 GLU CB . 51471 1 1387 . 1 . 1 133 133 GLU CG C 13 36.652 0.3 . 1 . . . . . 132 GLU CG . 51471 1 1388 . 1 . 1 133 133 GLU N N 15 122.757 0.3 . 1 . . . . . 132 GLU N . 51471 1 1389 . 1 . 1 134 134 ARG H H 1 7.244 0.020 . 1 . . . . . 133 ARG H . 51471 1 1390 . 1 . 1 134 134 ARG HA H 1 3.920 0.020 . 1 . . . . . 133 ARG HA . 51471 1 1391 . 1 . 1 134 134 ARG HB2 H 1 1.629 0.020 . 2 . . . . . 133 ARG HB2 . 51471 1 1392 . 1 . 1 134 134 ARG HB3 H 1 1.731 0.020 . 2 . . . . . 133 ARG HB3 . 51471 1 1393 . 1 . 1 134 134 ARG HG2 H 1 1.462 0.020 . 2 . . . . . 133 ARG HG2 . 51471 1 1394 . 1 . 1 134 134 ARG HG3 H 1 1.665 0.020 . 2 . . . . . 133 ARG HG3 . 51471 1 1395 . 1 . 1 134 134 ARG HD2 H 1 2.986 0.020 . 2 . . . . . 133 ARG HD2 . 51471 1 1396 . 1 . 1 134 134 ARG HD3 H 1 3.280 0.020 . 2 . . . . . 133 ARG HD3 . 51471 1 1397 . 1 . 1 134 134 ARG C C 13 176.205 0.3 . 1 . . . . . 133 ARG C . 51471 1 1398 . 1 . 1 134 134 ARG CA C 13 57.228 0.3 . 1 . . . . . 133 ARG CA . 51471 1 1399 . 1 . 1 134 134 ARG CB C 13 33.117 0.3 . 1 . . . . . 133 ARG CB . 51471 1 1400 . 1 . 1 134 134 ARG CG C 13 29.055 0.3 . 1 . . . . . 133 ARG CG . 51471 1 1401 . 1 . 1 134 134 ARG CD C 13 43.419 0.3 . 1 . . . . . 133 ARG CD . 51471 1 1402 . 1 . 1 134 134 ARG N N 15 113.674 0.3 . 1 . . . . . 133 ARG N . 51471 1 1403 . 1 . 1 135 135 ASN H H 1 7.106 0.020 . 1 . . . . . 134 ASN H . 51471 1 1404 . 1 . 1 135 135 ASN HA H 1 4.693 0.020 . 1 . . . . . 134 ASN HA . 51471 1 1405 . 1 . 1 135 135 ASN HB2 H 1 2.673 0.020 . 2 . . . . . 134 ASN HB2 . 51471 1 1406 . 1 . 1 135 135 ASN HB3 H 1 1.822 0.020 . 2 . . . . . 134 ASN HB3 . 51471 1 1407 . 1 . 1 135 135 ASN HD21 H 1 6.170 0.020 . 1 . . . . . 134 ASN HD21 . 51471 1 1408 . 1 . 1 135 135 ASN HD22 H 1 6.798 0.020 . 1 . . . . . 134 ASN HD22 . 51471 1 1409 . 1 . 1 135 135 ASN C C 13 187.351 0.3 . 1 . . . . . 134 ASN C . 51471 1 1410 . 1 . 1 135 135 ASN CA C 13 52.002 0.3 . 1 . . . . . 134 ASN CA . 51471 1 1411 . 1 . 1 135 135 ASN CB C 13 41.469 0.3 . 1 . . . . . 134 ASN CB . 51471 1 1412 . 1 . 1 135 135 ASN N N 15 119.292 0.3 . 1 . . . . . 134 ASN N . 51471 1 1413 . 1 . 1 135 135 ASN ND2 N 15 122.489 0.3 . 1 . . . . . 134 ASN ND2 . 51471 1 1414 . 1 . 1 136 136 HIS H H 1 6.733 0.020 . 1 . . . . . 135 HIS H . 51471 1 1415 . 1 . 1 136 136 HIS HA H 1 4.728 0.020 . 1 . . . . . 135 HIS HA . 51471 1 1416 . 1 . 1 136 136 HIS HD2 H 1 6.921 0.020 . 1 . . . . . 135 HIS HD2 . 51471 1 1417 . 1 . 1 136 136 HIS C C 13 172.872 0.3 . 1 . . . . . 135 HIS C . 51471 1 1418 . 1 . 1 136 136 HIS CA C 13 55.674 0.3 . 1 . . . . . 135 HIS CA . 51471 1 1419 . 1 . 1 136 136 HIS CB C 13 27.697 0.3 . 1 . . . . . 135 HIS CB . 51471 1 1420 . 1 . 1 136 136 HIS CD2 C 13 118.720 0.3 . 1 . . . . . 135 HIS CD2 . 51471 1 1421 . 1 . 1 136 136 HIS N N 15 109.659 0.3 . 1 . . . . . 135 HIS N . 51471 1 1422 . 1 . 1 137 137 ARG H H 1 9.749 0.020 . 1 . . . . . 136 ARG H . 51471 1 1423 . 1 . 1 137 137 ARG HA H 1 4.694 0.020 . 1 . . . . . 136 ARG HA . 51471 1 1424 . 1 . 1 137 137 ARG HB2 H 1 2.040 0.020 . 2 . . . . . 136 ARG HB2 . 51471 1 1425 . 1 . 1 137 137 ARG HB3 H 1 1.924 0.020 . 2 . . . . . 136 ARG HB3 . 51471 1 1426 . 1 . 1 137 137 ARG C C 13 173.487 0.3 . 1 . . . . . 136 ARG C . 51471 1 1427 . 1 . 1 137 137 ARG CA C 13 52.786 0.3 . 1 . . . . . 136 ARG CA . 51471 1 1428 . 1 . 1 137 137 ARG CB C 13 29.387 0.3 . 1 . . . . . 136 ARG CB . 51471 1 1429 . 1 . 1 137 137 ARG CG C 13 26.493 0.3 . 1 . . . . . 136 ARG CG . 51471 1 1430 . 1 . 1 137 137 ARG CD C 13 42.189 0.3 . 1 . . . . . 136 ARG CD . 51471 1 1431 . 1 . 1 137 137 ARG N N 15 122.230 0.3 . 1 . . . . . 136 ARG N . 51471 1 1432 . 1 . 1 138 138 PRO HA H 1 3.781 0.020 . 1 . . . . . 137 PRO HA . 51471 1 1433 . 1 . 1 138 138 PRO HG2 H 1 2.148 0.020 . 2 . . . . . 137 PRO HG2 . 51471 1 1434 . 1 . 1 138 138 PRO HG3 H 1 1.989 0.020 . 2 . . . . . 137 PRO HG3 . 51471 1 1435 . 1 . 1 138 138 PRO C C 13 178.084 0.3 . 1 . . . . . 137 PRO C . 51471 1 1436 . 1 . 1 138 138 PRO CA C 13 64.744 0.3 . 1 . . . . . 137 PRO CA . 51471 1 1437 . 1 . 1 138 138 PRO CB C 13 31.060 0.3 . 1 . . . . . 137 PRO CB . 51471 1 1438 . 1 . 1 138 138 PRO CG C 13 27.598 0.3 . 1 . . . . . 137 PRO CG . 51471 1 1439 . 1 . 1 138 138 PRO CD C 13 50.254 0.3 . 1 . . . . . 137 PRO CD . 51471 1 1440 . 1 . 1 139 139 GLY H H 1 7.473 0.020 . 1 . . . . . 138 GLY H . 51471 1 1441 . 1 . 1 139 139 GLY HA2 H 1 3.614 0.020 . 2 . . . . . 138 GLY HA2 . 51471 1 1442 . 1 . 1 139 139 GLY HA3 H 1 3.447 0.020 . 2 . . . . . 138 GLY HA3 . 51471 1 1443 . 1 . 1 139 139 GLY C C 13 173.000 0.3 . 1 . . . . . 138 GLY C . 51471 1 1444 . 1 . 1 139 139 GLY CA C 13 45.016 0.3 . 1 . . . . . 138 GLY CA . 51471 1 1445 . 1 . 1 139 139 GLY N N 15 112.559 0.3 . 1 . . . . . 138 GLY N . 51471 1 1446 . 1 . 1 140 140 ASP H H 1 8.217 0.020 . 1 . . . . . 139 ASP H . 51471 1 1447 . 1 . 1 140 140 ASP HA H 1 5.206 0.020 . 1 . . . . . 139 ASP HA . 51471 1 1448 . 1 . 1 140 140 ASP HB2 H 1 3.099 0.020 . 2 . . . . . 139 ASP HB2 . 51471 1 1449 . 1 . 1 140 140 ASP HB3 H 1 3.591 0.020 . 2 . . . . . 139 ASP HB3 . 51471 1 1450 . 1 . 1 140 140 ASP C C 13 174.757 0.3 . 1 . . . . . 139 ASP C . 51471 1 1451 . 1 . 1 140 140 ASP CA C 13 55.409 0.3 . 1 . . . . . 139 ASP CA . 51471 1 1452 . 1 . 1 140 140 ASP CB C 13 43.007 0.3 . 1 . . . . . 139 ASP CB . 51471 1 1453 . 1 . 1 140 140 ASP N N 15 121.310 0.3 . 1 . . . . . 139 ASP N . 51471 1 1454 . 1 . 1 141 141 GLU H H 1 9.190 0.020 . 1 . . . . . 140 GLU H . 51471 1 1455 . 1 . 1 141 141 GLU HA H 1 5.797 0.020 . 1 . . . . . 140 GLU HA . 51471 1 1456 . 1 . 1 141 141 GLU HB2 H 1 2.098 0.020 . 2 . . . . . 140 GLU HB2 . 51471 1 1457 . 1 . 1 141 141 GLU HB3 H 1 2.366 0.020 . 2 . . . . . 140 GLU HB3 . 51471 1 1458 . 1 . 1 141 141 GLU HG2 H 1 2.433 0.020 . 1 . . . . . 140 GLU HG2 . 51471 1 1459 . 1 . 1 141 141 GLU HG3 H 1 2.433 0.020 . 1 . . . . . 140 GLU HG3 . 51471 1 1460 . 1 . 1 141 141 GLU C C 13 174.893 0.3 . 1 . . . . . 140 GLU C . 51471 1 1461 . 1 . 1 141 141 GLU CA C 13 53.457 0.3 . 1 . . . . . 140 GLU CA . 51471 1 1462 . 1 . 1 141 141 GLU CB C 13 36.116 0.3 . 1 . . . . . 140 GLU CB . 51471 1 1463 . 1 . 1 141 141 GLU CG C 13 37.673 0.3 . 1 . . . . . 140 GLU CG . 51471 1 1464 . 1 . 1 141 141 GLU N N 15 115.268 0.3 . 1 . . . . . 140 GLU N . 51471 1 1465 . 1 . 1 142 142 LEU H H 1 8.748 0.020 . 1 . . . . . 141 LEU H . 51471 1 1466 . 1 . 1 142 142 LEU HA H 1 4.940 0.020 . 1 . . . . . 141 LEU HA . 51471 1 1467 . 1 . 1 142 142 LEU HB2 H 1 0.673 0.020 . 2 . . . . . 141 LEU HB2 . 51471 1 1468 . 1 . 1 142 142 LEU HB3 H 1 -0.779 0.020 . 2 . . . . . 141 LEU HB3 . 51471 1 1469 . 1 . 1 142 142 LEU HG H 1 0.151 0.020 . 1 . . . . . 141 LEU HG . 51471 1 1470 . 1 . 1 142 142 LEU HD11 H 1 0.154 0.020 . 1 . . . . . 141 LEU HD1 . 51471 1 1471 . 1 . 1 142 142 LEU HD12 H 1 0.154 0.020 . 1 . . . . . 141 LEU HD1 . 51471 1 1472 . 1 . 1 142 142 LEU HD13 H 1 0.154 0.020 . 1 . . . . . 141 LEU HD1 . 51471 1 1473 . 1 . 1 142 142 LEU HD21 H 1 0.143 0.020 . 1 . . . . . 141 LEU HD2 . 51471 1 1474 . 1 . 1 142 142 LEU HD22 H 1 0.143 0.020 . 1 . . . . . 141 LEU HD2 . 51471 1 1475 . 1 . 1 142 142 LEU HD23 H 1 0.143 0.020 . 1 . . . . . 141 LEU HD2 . 51471 1 1476 . 1 . 1 142 142 LEU C C 13 173.783 0.3 . 1 . . . . . 141 LEU C . 51471 1 1477 . 1 . 1 142 142 LEU CA C 13 53.270 0.3 . 1 . . . . . 141 LEU CA . 51471 1 1478 . 1 . 1 142 142 LEU CB C 13 43.514 0.3 . 1 . . . . . 141 LEU CB . 51471 1 1479 . 1 . 1 142 142 LEU CG C 13 26.536 0.3 . 1 . . . . . 141 LEU CG . 51471 1 1480 . 1 . 1 142 142 LEU CD1 C 13 22.266 0.3 . 1 . . . . . 141 LEU CD1 . 51471 1 1481 . 1 . 1 142 142 LEU CD2 C 13 21.994 0.3 . 1 . . . . . 141 LEU CD2 . 51471 1 1482 . 1 . 1 142 142 LEU N N 15 124.791 0.3 . 1 . . . . . 141 LEU N . 51471 1 1483 . 1 . 1 143 143 TYR H H 1 9.165 0.020 . 1 . . . . . 142 TYR H . 51471 1 1484 . 1 . 1 143 143 TYR HA H 1 4.679 0.020 . 1 . . . . . 142 TYR HA . 51471 1 1485 . 1 . 1 143 143 TYR HB2 H 1 3.090 0.020 . 2 . . . . . 142 TYR HB2 . 51471 1 1486 . 1 . 1 143 143 TYR HB3 H 1 2.983 0.020 . 2 . . . . . 142 TYR HB3 . 51471 1 1487 . 1 . 1 143 143 TYR C C 13 174.540 0.3 . 1 . . . . . 142 TYR C . 51471 1 1488 . 1 . 1 143 143 TYR CA C 13 57.675 0.3 . 1 . . . . . 142 TYR CA . 51471 1 1489 . 1 . 1 143 143 TYR CB C 13 39.683 0.3 . 1 . . . . . 142 TYR CB . 51471 1 1490 . 1 . 1 143 143 TYR CD1 C 13 129.771 0.3 . 1 . . . . . 142 TYR CD1 . 51471 1 1491 . 1 . 1 143 143 TYR N N 15 125.397 0.3 . 1 . . . . . 142 TYR N . 51471 1 1492 . 1 . 1 144 144 LEU H H 1 9.098 0.020 . 1 . . . . . 143 LEU H . 51471 1 1493 . 1 . 1 144 144 LEU HA H 1 5.105 0.020 . 1 . . . . . 143 LEU HA . 51471 1 1494 . 1 . 1 144 144 LEU HB2 H 1 1.770 0.020 . 2 . . . . . 143 LEU HB2 . 51471 1 1495 . 1 . 1 144 144 LEU HB3 H 1 1.420 0.020 . 2 . . . . . 143 LEU HB3 . 51471 1 1496 . 1 . 1 144 144 LEU HG H 1 0.494 0.020 . 1 . . . . . 143 LEU HG . 51471 1 1497 . 1 . 1 144 144 LEU HD11 H 1 0.828 0.020 . 1 . . . . . 143 LEU HD1 . 51471 1 1498 . 1 . 1 144 144 LEU HD12 H 1 0.828 0.020 . 1 . . . . . 143 LEU HD1 . 51471 1 1499 . 1 . 1 144 144 LEU HD13 H 1 0.828 0.020 . 1 . . . . . 143 LEU HD1 . 51471 1 1500 . 1 . 1 144 144 LEU HD21 H 1 0.840 0.020 . 1 . . . . . 143 LEU HD2 . 51471 1 1501 . 1 . 1 144 144 LEU HD22 H 1 0.840 0.020 . 1 . . . . . 143 LEU HD2 . 51471 1 1502 . 1 . 1 144 144 LEU HD23 H 1 0.840 0.020 . 1 . . . . . 143 LEU HD2 . 51471 1 1503 . 1 . 1 144 144 LEU C C 13 175.443 0.3 . 1 . . . . . 143 LEU C . 51471 1 1504 . 1 . 1 144 144 LEU CA C 13 50.924 0.3 . 1 . . . . . 143 LEU CA . 51471 1 1505 . 1 . 1 144 144 LEU CB C 13 43.930 0.3 . 1 . . . . . 143 LEU CB . 51471 1 1506 . 1 . 1 144 144 LEU CG C 13 26.265 0.3 . 1 . . . . . 143 LEU CG . 51471 1 1507 . 1 . 1 144 144 LEU CD1 C 13 23.465 0.3 . 1 . . . . . 143 LEU CD1 . 51471 1 1508 . 1 . 1 144 144 LEU CD2 C 13 23.212 0.3 . 1 . . . . . 143 LEU CD2 . 51471 1 1509 . 1 . 1 144 144 LEU N N 15 120.348 0.3 . 1 . . . . . 143 LEU N . 51471 1 1510 . 1 . 1 145 145 PRO HA H 1 4.651 0.020 . 1 . . . . . 144 PRO HA . 51471 1 1511 . 1 . 1 145 145 PRO HB2 H 1 2.191 0.020 . 2 . . . . . 144 PRO HB2 . 51471 1 1512 . 1 . 1 145 145 PRO HB3 H 1 2.148 0.020 . 2 . . . . . 144 PRO HB3 . 51471 1 1513 . 1 . 1 145 145 PRO HG2 H 1 1.952 0.020 . 2 . . . . . 144 PRO HG2 . 51471 1 1514 . 1 . 1 145 145 PRO HG3 H 1 1.973 0.020 . 2 . . . . . 144 PRO HG3 . 51471 1 1515 . 1 . 1 145 145 PRO HD2 H 1 3.657 0.020 . 2 . . . . . 144 PRO HD2 . 51471 1 1516 . 1 . 1 145 145 PRO HD3 H 1 4.424 0.020 . 2 . . . . . 144 PRO HD3 . 51471 1 1517 . 1 . 1 145 145 PRO C C 13 176.352 0.3 . 1 . . . . . 144 PRO C . 51471 1 1518 . 1 . 1 145 145 PRO CA C 13 61.545 0.3 . 1 . . . . . 144 PRO CA . 51471 1 1519 . 1 . 1 145 145 PRO CB C 13 31.799 0.3 . 1 . . . . . 144 PRO CB . 51471 1 1520 . 1 . 1 145 145 PRO CG C 13 27.215 0.3 . 1 . . . . . 144 PRO CG . 51471 1 1521 . 1 . 1 145 145 PRO CD C 13 50.994 0.3 . 1 . . . . . 144 PRO CD . 51471 1 1522 . 1 . 1 146 146 GLU H H 1 8.551 0.020 . 1 . . . . . 145 GLU H . 51471 1 1523 . 1 . 1 146 146 GLU HA H 1 3.940 0.020 . 1 . . . . . 145 GLU HA . 51471 1 1524 . 1 . 1 146 146 GLU HB2 H 1 2.048 0.020 . 2 . . . . . 145 GLU HB2 . 51471 1 1525 . 1 . 1 146 146 GLU HB3 H 1 1.969 0.020 . 2 . . . . . 145 GLU HB3 . 51471 1 1526 . 1 . 1 146 146 GLU HG2 H 1 2.318 0.020 . 2 . . . . . 145 GLU HG2 . 51471 1 1527 . 1 . 1 146 146 GLU HG3 H 1 2.286 0.020 . 2 . . . . . 145 GLU HG3 . 51471 1 1528 . 1 . 1 146 146 GLU C C 13 178.741 0.3 . 1 . . . . . 145 GLU C . 51471 1 1529 . 1 . 1 146 146 GLU CA C 13 60.795 0.3 . 1 . . . . . 145 GLU CA . 51471 1 1530 . 1 . 1 146 146 GLU CB C 13 29.295 0.3 . 1 . . . . . 145 GLU CB . 51471 1 1531 . 1 . 1 146 146 GLU CG C 13 35.668 0.3 . 1 . . . . . 145 GLU CG . 51471 1 1532 . 1 . 1 146 146 GLU N N 15 119.947 0.3 . 1 . . . . . 145 GLU N . 51471 1 1533 . 1 . 1 147 147 LEU H H 1 8.814 0.020 . 1 . . . . . 146 LEU H . 51471 1 1534 . 1 . 1 147 147 LEU HA H 1 4.120 0.020 . 1 . . . . . 146 LEU HA . 51471 1 1535 . 1 . 1 147 147 LEU HB2 H 1 1.781 0.020 . 2 . . . . . 146 LEU HB2 . 51471 1 1536 . 1 . 1 147 147 LEU HB3 H 1 1.597 0.020 . 2 . . . . . 146 LEU HB3 . 51471 1 1537 . 1 . 1 147 147 LEU HG H 1 1.653 0.020 . 1 . . . . . 146 LEU HG . 51471 1 1538 . 1 . 1 147 147 LEU HD11 H 1 0.966 0.020 . 1 . . . . . 146 LEU HD1 . 51471 1 1539 . 1 . 1 147 147 LEU HD12 H 1 0.966 0.020 . 1 . . . . . 146 LEU HD1 . 51471 1 1540 . 1 . 1 147 147 LEU HD13 H 1 0.966 0.020 . 1 . . . . . 146 LEU HD1 . 51471 1 1541 . 1 . 1 147 147 LEU HD21 H 1 0.912 0.020 . 1 . . . . . 146 LEU HD2 . 51471 1 1542 . 1 . 1 147 147 LEU HD22 H 1 0.912 0.020 . 1 . . . . . 146 LEU HD2 . 51471 1 1543 . 1 . 1 147 147 LEU HD23 H 1 0.912 0.020 . 1 . . . . . 146 LEU HD2 . 51471 1 1544 . 1 . 1 147 147 LEU C C 13 179.961 0.3 . 1 . . . . . 146 LEU C . 51471 1 1545 . 1 . 1 147 147 LEU CA C 13 58.754 0.3 . 1 . . . . . 146 LEU CA . 51471 1 1546 . 1 . 1 147 147 LEU CB C 13 41.369 0.3 . 1 . . . . . 146 LEU CB . 51471 1 1547 . 1 . 1 147 147 LEU CG C 13 26.886 0.3 . 1 . . . . . 146 LEU CG . 51471 1 1548 . 1 . 1 147 147 LEU CD1 C 13 24.199 0.3 . 1 . . . . . 146 LEU CD1 . 51471 1 1549 . 1 . 1 147 147 LEU CD2 C 13 24.410 0.3 . 1 . . . . . 146 LEU CD2 . 51471 1 1550 . 1 . 1 147 147 LEU N N 15 118.339 0.3 . 1 . . . . . 146 LEU N . 51471 1 1551 . 1 . 1 148 148 ALA H H 1 7.447 0.020 . 1 . . . . . 147 ALA H . 51471 1 1552 . 1 . 1 148 148 ALA HA H 1 4.423 0.020 . 1 . . . . . 147 ALA HA . 51471 1 1553 . 1 . 1 148 148 ALA HB1 H 1 1.564 0.020 . 1 . . . . . 147 ALA HB . 51471 1 1554 . 1 . 1 148 148 ALA HB2 H 1 1.564 0.020 . 1 . . . . . 147 ALA HB . 51471 1 1555 . 1 . 1 148 148 ALA HB3 H 1 1.564 0.020 . 1 . . . . . 147 ALA HB . 51471 1 1556 . 1 . 1 148 148 ALA C C 13 178.559 0.3 . 1 . . . . . 147 ALA C . 51471 1 1557 . 1 . 1 148 148 ALA CA C 13 53.988 0.3 . 1 . . . . . 147 ALA CA . 51471 1 1558 . 1 . 1 148 148 ALA CB C 13 19.473 0.3 . 1 . . . . . 147 ALA CB . 51471 1 1559 . 1 . 1 148 148 ALA N N 15 121.044 0.3 . 1 . . . . . 147 ALA N . 51471 1 1560 . 1 . 1 149 149 ALA H H 1 9.086 0.020 . 1 . . . . . 148 ALA H . 51471 1 1561 . 1 . 1 149 149 ALA HA H 1 4.014 0.020 . 1 . . . . . 148 ALA HA . 51471 1 1562 . 1 . 1 149 149 ALA HB1 H 1 1.447 0.020 . 1 . . . . . 148 ALA HB . 51471 1 1563 . 1 . 1 149 149 ALA HB2 H 1 1.447 0.020 . 1 . . . . . 148 ALA HB . 51471 1 1564 . 1 . 1 149 149 ALA HB3 H 1 1.447 0.020 . 1 . . . . . 148 ALA HB . 51471 1 1565 . 1 . 1 149 149 ALA C C 13 179.258 0.3 . 1 . . . . . 148 ALA C . 51471 1 1566 . 1 . 1 149 149 ALA CA C 13 55.286 0.3 . 1 . . . . . 148 ALA CA . 51471 1 1567 . 1 . 1 149 149 ALA CB C 13 17.727 0.3 . 1 . . . . . 148 ALA CB . 51471 1 1568 . 1 . 1 149 149 ALA N N 15 123.245 0.3 . 1 . . . . . 148 ALA N . 51471 1 1569 . 1 . 1 150 150 ARG H H 1 8.099 0.020 . 1 . . . . . 149 ARG H . 51471 1 1570 . 1 . 1 150 150 ARG HA H 1 4.120 0.020 . 1 . . . . . 149 ARG HA . 51471 1 1571 . 1 . 1 150 150 ARG HB2 H 1 1.953 0.020 . 2 . . . . . 149 ARG HB2 . 51471 1 1572 . 1 . 1 150 150 ARG HB3 H 1 2.022 0.020 . 2 . . . . . 149 ARG HB3 . 51471 1 1573 . 1 . 1 150 150 ARG HG2 H 1 1.900 0.020 . 2 . . . . . 149 ARG HG2 . 51471 1 1574 . 1 . 1 150 150 ARG HG3 H 1 1.708 0.020 . 2 . . . . . 149 ARG HG3 . 51471 1 1575 . 1 . 1 150 150 ARG HD2 H 1 3.194 0.020 . 2 . . . . . 149 ARG HD2 . 51471 1 1576 . 1 . 1 150 150 ARG HD3 H 1 3.235 0.020 . 2 . . . . . 149 ARG HD3 . 51471 1 1577 . 1 . 1 150 150 ARG C C 13 179.468 0.3 . 1 . . . . . 149 ARG C . 51471 1 1578 . 1 . 1 150 150 ARG CA C 13 59.347 0.3 . 1 . . . . . 149 ARG CA . 51471 1 1579 . 1 . 1 150 150 ARG CB C 13 29.779 0.3 . 1 . . . . . 149 ARG CB . 51471 1 1580 . 1 . 1 150 150 ARG CG C 13 27.183 0.3 . 1 . . . . . 149 ARG CG . 51471 1 1581 . 1 . 1 150 150 ARG CD C 13 43.578 0.3 . 1 . . . . . 149 ARG CD . 51471 1 1582 . 1 . 1 150 150 ARG N N 15 117.771 0.3 . 1 . . . . . 149 ARG N . 51471 1 1583 . 1 . 1 151 151 TRP H H 1 7.619 0.020 . 1 . . . . . 150 TRP H . 51471 1 1584 . 1 . 1 151 151 TRP HA H 1 4.076 0.020 . 1 . . . . . 150 TRP HA . 51471 1 1585 . 1 . 1 151 151 TRP HB2 H 1 3.382 0.020 . 2 . . . . . 150 TRP HB2 . 51471 1 1586 . 1 . 1 151 151 TRP HB3 H 1 3.727 0.020 . 2 . . . . . 150 TRP HB3 . 51471 1 1587 . 1 . 1 151 151 TRP HD1 H 1 6.941 0.020 . 1 . . . . . 150 TRP HD1 . 51471 1 1588 . 1 . 1 151 151 TRP HE1 H 1 10.102 0.020 . 1 . . . . . 150 TRP HE1 . 51471 1 1589 . 1 . 1 151 151 TRP HZ2 H 1 7.365 0.020 . 1 . . . . . 150 TRP HZ2 . 51471 1 1590 . 1 . 1 151 151 TRP HZ3 H 1 6.785 0.020 . 1 . . . . . 150 TRP HZ3 . 51471 1 1591 . 1 . 1 151 151 TRP HH2 H 1 6.323 0.020 . 1 . . . . . 150 TRP HH2 . 51471 1 1592 . 1 . 1 151 151 TRP C C 13 177.719 0.3 . 1 . . . . . 150 TRP C . 51471 1 1593 . 1 . 1 151 151 TRP CA C 13 61.592 0.3 . 1 . . . . . 150 TRP CA . 51471 1 1594 . 1 . 1 151 151 TRP CB C 13 28.257 0.3 . 1 . . . . . 150 TRP CB . 51471 1 1595 . 1 . 1 151 151 TRP CD1 C 13 123.793 0.3 . 1 . . . . . 150 TRP CD1 . 51471 1 1596 . 1 . 1 151 151 TRP CZ2 C 13 114.572 0.3 . 1 . . . . . 150 TRP CZ2 . 51471 1 1597 . 1 . 1 151 151 TRP N N 15 121.280 0.3 . 1 . . . . . 150 TRP N . 51471 1 1598 . 1 . 1 151 151 TRP NE1 N 15 129.327 0.3 . 1 . . . . . 150 TRP NE1 . 51471 1 1599 . 1 . 1 152 152 PHE H H 1 8.913 0.020 . 1 . . . . . 151 PHE H . 51471 1 1600 . 1 . 1 152 152 PHE HA H 1 3.034 0.020 . 1 . . . . . 151 PHE HA . 51471 1 1601 . 1 . 1 152 152 PHE HB2 H 1 3.025 0.020 . 2 . . . . . 151 PHE HB2 . 51471 1 1602 . 1 . 1 152 152 PHE HB3 H 1 2.905 0.020 . 2 . . . . . 151 PHE HB3 . 51471 1 1603 . 1 . 1 152 152 PHE C C 13 177.357 0.3 . 1 . . . . . 151 PHE C . 51471 1 1604 . 1 . 1 152 152 PHE CA C 13 61.707 0.3 . 1 . . . . . 151 PHE CA . 51471 1 1605 . 1 . 1 152 152 PHE CB C 13 39.689 0.3 . 1 . . . . . 151 PHE CB . 51471 1 1606 . 1 . 1 152 152 PHE CD1 C 13 131.549 0.3 . 1 . . . . . 151 PHE CD1 . 51471 1 1607 . 1 . 1 152 152 PHE N N 15 121.757 0.3 . 1 . . . . . 151 PHE N . 51471 1 1608 . 1 . 1 153 153 GLU H H 1 8.605 0.020 . 1 . . . . . 152 GLU H . 51471 1 1609 . 1 . 1 153 153 GLU HA H 1 3.674 0.020 . 1 . . . . . 152 GLU HA . 51471 1 1610 . 1 . 1 153 153 GLU HB2 H 1 2.022 0.020 . 2 . . . . . 152 GLU HB2 . 51471 1 1611 . 1 . 1 153 153 GLU HB3 H 1 2.096 0.020 . 2 . . . . . 152 GLU HB3 . 51471 1 1612 . 1 . 1 153 153 GLU HG2 H 1 2.643 0.020 . 2 . . . . . 152 GLU HG2 . 51471 1 1613 . 1 . 1 153 153 GLU HG3 H 1 2.351 0.020 . 2 . . . . . 152 GLU HG3 . 51471 1 1614 . 1 . 1 153 153 GLU C C 13 178.374 0.3 . 1 . . . . . 152 GLU C . 51471 1 1615 . 1 . 1 153 153 GLU CA C 13 59.273 0.3 . 1 . . . . . 152 GLU CA . 51471 1 1616 . 1 . 1 153 153 GLU CB C 13 29.254 0.3 . 1 . . . . . 152 GLU CB . 51471 1 1617 . 1 . 1 153 153 GLU CG C 13 36.339 0.3 . 1 . . . . . 152 GLU CG . 51471 1 1618 . 1 . 1 153 153 GLU N N 15 117.886 0.3 . 1 . . . . . 152 GLU N . 51471 1 1619 . 1 . 1 154 154 ALA H H 1 7.583 0.020 . 1 . . . . . 153 ALA H . 51471 1 1620 . 1 . 1 154 154 ALA HA H 1 4.012 0.020 . 1 . . . . . 153 ALA HA . 51471 1 1621 . 1 . 1 154 154 ALA HB1 H 1 1.276 0.020 . 1 . . . . . 153 ALA HB . 51471 1 1622 . 1 . 1 154 154 ALA HB2 H 1 1.276 0.020 . 1 . . . . . 153 ALA HB . 51471 1 1623 . 1 . 1 154 154 ALA HB3 H 1 1.276 0.020 . 1 . . . . . 153 ALA HB . 51471 1 1624 . 1 . 1 154 154 ALA C C 13 179.122 0.3 . 1 . . . . . 153 ALA C . 51471 1 1625 . 1 . 1 154 154 ALA CA C 13 54.098 0.3 . 1 . . . . . 153 ALA CA . 51471 1 1626 . 1 . 1 154 154 ALA CB C 13 17.701 0.3 . 1 . . . . . 153 ALA CB . 51471 1 1627 . 1 . 1 154 154 ALA N N 15 120.605 0.3 . 1 . . . . . 153 ALA N . 51471 1 1628 . 1 . 1 155 155 ASN H H 1 7.286 0.020 . 1 . . . . . 154 ASN H . 51471 1 1629 . 1 . 1 155 155 ASN HA H 1 4.062 0.020 . 1 . . . . . 154 ASN HA . 51471 1 1630 . 1 . 1 155 155 ASN HB2 H 1 1.905 0.020 . 2 . . . . . 154 ASN HB2 . 51471 1 1631 . 1 . 1 155 155 ASN HB3 H 1 1.424 0.020 . 2 . . . . . 154 ASN HB3 . 51471 1 1632 . 1 . 1 155 155 ASN HD21 H 1 6.384 0.020 . 1 . . . . . 154 ASN HD21 . 51471 1 1633 . 1 . 1 155 155 ASN HD22 H 1 7.101 0.020 . 1 . . . . . 154 ASN HD22 . 51471 1 1634 . 1 . 1 155 155 ASN C C 13 176.369 0.3 . 1 . . . . . 154 ASN C . 51471 1 1635 . 1 . 1 155 155 ASN CA C 13 54.696 0.3 . 1 . . . . . 154 ASN CA . 51471 1 1636 . 1 . 1 155 155 ASN CB C 13 38.332 0.3 . 1 . . . . . 154 ASN CB . 51471 1 1637 . 1 . 1 155 155 ASN N N 15 116.782 0.3 . 1 . . . . . 154 ASN N . 51471 1 1638 . 1 . 1 155 155 ASN ND2 N 15 113.842 0.3 . 1 . . . . . 154 ASN ND2 . 51471 1 stop_ save_