data_18414 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18414 _Entry.Title ; Zn(II)-AdcR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-22 _Entry.Accession_date 2012-04-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignments of the Zn(II)-form of AdcR' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alfredo Guerra . J. . 18414 2 David Giedroc . P. . 18414 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Giedroc Group, Indiana University' . 18414 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18414 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 18414 '15N chemical shifts' 139 18414 '1H chemical shifts' 307 18414 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 . . 2014-05-14 2012-04-22 update BMRB 'update entry citation' 18414 1 . . 2013-01-03 2012-04-22 original author 'original release' 18414 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18413 'Assignments of the Apo-form of AdcR' 18414 stop_ save_ ############### # Citations # ############### save_Zn-AdcR _Citation.Sf_category citations _Citation.Sf_framecode Zn-AdcR _Citation.Entry_ID 18414 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23138857 _Citation.Full_citation . _Citation.Title 'Backbone and sterospecific methyl side chain resonance assignments of the homodimeric zinc sensor AdcR (32 kDa) in the apo- and Zn(II)-bound states.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _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 11 _Citation.Page_last 14 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alfredo Guerra . J. . 18414 1 2 David Giedroc . P. . 18414 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18414 _Assembly.ID 1 _Assembly.Name AdcR _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 33212 _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 'Subunit 1' 1 $AdcR A . yes native no no . . . 18414 1 2 'Subunit 2' 1 $AdcR A . yes native no no . . . 18414 1 3 'Zinc (II) ion)' 2 $entity_ZN B . no native no no . . . 18414 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3TGN . . X-ray 2.0 'Structure of the Zn(II)-bound form of the system presented here' . 18414 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Zn(II)-dependent transcriptional regulator' 18414 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AdcR _Entity.Sf_category entity _Entity.Sf_framecode AdcR _Entity.Entry_ID 18414 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AdcR _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 ; MRQLAKDINAFLNEVILQAE NQHEILIGHCTSEVALTNTQ EHILMLLSEESLTNSELARR LNVSQAAVTKAIKSLVKEGM LETSKDSKDARVIFYQLTDL ARPIAEEHHHHHEHTLLTYE QVATQFTPNEQKVIQRFLTA LVGEIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18413 . AdcR . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 2 no PDB 3TGN . "Crystal Structure Of The Zinc-Dependent Marr Family Transcriptional Regulator Adcr In The Zn(Ii)-Bound State" . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 3 no EMBL CAA96184 . "AdcR protein [Streptococcus pneumoniae]" . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 4 no EMBL CAR69937 . "MarR-family regulatory protein [Streptococcus pneumoniae ATCC 700669]" . . . . . 100.00 146 99.32 100.00 5.76e-99 . . . . 18414 1 5 no EMBL CBJ23263 . "Zn(2+)-responsive AdcR transcriptional repressor [Streptococcus mitis B6]" . . . . . 100.00 146 98.63 99.32 4.70e-98 . . . . 18414 1 6 no EMBL CBW33569 . "MarR-family regulatory protein [Streptococcus pneumoniae OXC141]" . . . . . 100.00 146 99.32 100.00 5.76e-99 . . . . 18414 1 7 no EMBL CBW35616 . "MarR-family regulatory protein [Streptococcus pneumoniae INV200]" . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 8 no GB AAK76226 . "adc operon repressor AdcR [Streptococcus pneumoniae TIGR4]" . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 9 no GB AAL00780 . "Transcriptional repressor for Zn(2+)-responsive expression [Streptococcus pneumoniae R6]" . . . . . 100.00 166 100.00 100.00 7.52e-100 . . . . 18414 1 10 no GB ABJ54931 . "adc operon repressor AdcR [Streptococcus pneumoniae D39]" . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 11 no GB ACA36761 . "putative transcriptional repressor [Streptococcus pneumoniae Hungary19A-6]" . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 12 no GB ACB91392 . "adc operon repressor AdcR [Streptococcus pneumoniae CGSP14]" . . . . . 100.00 166 100.00 100.00 7.52e-100 . . . . 18414 1 13 no REF NP_359569 . "adc operon repressor AdcR [Streptococcus pneumoniae R6]" . . . . . 100.00 166 100.00 100.00 7.52e-100 . . . . 18414 1 14 no REF WP_000042198 . "MarR family transcriptional regulator [Streptococcus pneumoniae]" . . . . . 100.00 166 100.00 100.00 7.52e-100 . . . . 18414 1 15 no REF WP_001249307 . "MarR family transcriptional regulator [Streptococcus mitis]" . . . . . 100.00 146 98.63 99.32 8.75e-98 . . . . 18414 1 16 no REF WP_001249308 . "MULTISPECIES: MarR family transcriptional regulator [Streptococcus]" . . . . . 100.00 146 98.63 99.32 4.70e-98 . . . . 18414 1 17 no REF WP_001249309 . "transcriptional regulator AdcR [Streptococcus pneumoniae]" . . . . . 100.00 146 99.32 100.00 5.76e-99 . . . . 18414 1 18 no SP Q04I02 . "RecName: Full=Transcriptional regulator AdcR" . . . . . 100.00 146 100.00 100.00 1.30e-99 . . . . 18414 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Zinc-sensing transcriptional regulator' 18414 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18414 1 2 . ARG . 18414 1 3 . GLN . 18414 1 4 . LEU . 18414 1 5 . ALA . 18414 1 6 . LYS . 18414 1 7 . ASP . 18414 1 8 . ILE . 18414 1 9 . ASN . 18414 1 10 . ALA . 18414 1 11 . PHE . 18414 1 12 . LEU . 18414 1 13 . ASN . 18414 1 14 . GLU . 18414 1 15 . VAL . 18414 1 16 . ILE . 18414 1 17 . LEU . 18414 1 18 . GLN . 18414 1 19 . ALA . 18414 1 20 . GLU . 18414 1 21 . ASN . 18414 1 22 . GLN . 18414 1 23 . HIS . 18414 1 24 . GLU . 18414 1 25 . ILE . 18414 1 26 . LEU . 18414 1 27 . ILE . 18414 1 28 . GLY . 18414 1 29 . HIS . 18414 1 30 . CYS . 18414 1 31 . THR . 18414 1 32 . SER . 18414 1 33 . GLU . 18414 1 34 . VAL . 18414 1 35 . ALA . 18414 1 36 . LEU . 18414 1 37 . THR . 18414 1 38 . ASN . 18414 1 39 . THR . 18414 1 40 . GLN . 18414 1 41 . GLU . 18414 1 42 . HIS . 18414 1 43 . ILE . 18414 1 44 . LEU . 18414 1 45 . MET . 18414 1 46 . LEU . 18414 1 47 . LEU . 18414 1 48 . SER . 18414 1 49 . GLU . 18414 1 50 . GLU . 18414 1 51 . SER . 18414 1 52 . LEU . 18414 1 53 . THR . 18414 1 54 . ASN . 18414 1 55 . SER . 18414 1 56 . GLU . 18414 1 57 . LEU . 18414 1 58 . ALA . 18414 1 59 . ARG . 18414 1 60 . ARG . 18414 1 61 . LEU . 18414 1 62 . ASN . 18414 1 63 . VAL . 18414 1 64 . SER . 18414 1 65 . GLN . 18414 1 66 . ALA . 18414 1 67 . ALA . 18414 1 68 . VAL . 18414 1 69 . THR . 18414 1 70 . LYS . 18414 1 71 . ALA . 18414 1 72 . ILE . 18414 1 73 . LYS . 18414 1 74 . SER . 18414 1 75 . LEU . 18414 1 76 . VAL . 18414 1 77 . LYS . 18414 1 78 . GLU . 18414 1 79 . GLY . 18414 1 80 . MET . 18414 1 81 . LEU . 18414 1 82 . GLU . 18414 1 83 . THR . 18414 1 84 . SER . 18414 1 85 . LYS . 18414 1 86 . ASP . 18414 1 87 . SER . 18414 1 88 . LYS . 18414 1 89 . ASP . 18414 1 90 . ALA . 18414 1 91 . ARG . 18414 1 92 . VAL . 18414 1 93 . ILE . 18414 1 94 . PHE . 18414 1 95 . TYR . 18414 1 96 . GLN . 18414 1 97 . LEU . 18414 1 98 . THR . 18414 1 99 . ASP . 18414 1 100 . LEU . 18414 1 101 . ALA . 18414 1 102 . ARG . 18414 1 103 . PRO . 18414 1 104 . ILE . 18414 1 105 . ALA . 18414 1 106 . GLU . 18414 1 107 . GLU . 18414 1 108 . HIS . 18414 1 109 . HIS . 18414 1 110 . HIS . 18414 1 111 . HIS . 18414 1 112 . HIS . 18414 1 113 . GLU . 18414 1 114 . HIS . 18414 1 115 . THR . 18414 1 116 . LEU . 18414 1 117 . LEU . 18414 1 118 . THR . 18414 1 119 . TYR . 18414 1 120 . GLU . 18414 1 121 . GLN . 18414 1 122 . VAL . 18414 1 123 . ALA . 18414 1 124 . THR . 18414 1 125 . GLN . 18414 1 126 . PHE . 18414 1 127 . THR . 18414 1 128 . PRO . 18414 1 129 . ASN . 18414 1 130 . GLU . 18414 1 131 . GLN . 18414 1 132 . LYS . 18414 1 133 . VAL . 18414 1 134 . ILE . 18414 1 135 . GLN . 18414 1 136 . ARG . 18414 1 137 . PHE . 18414 1 138 . LEU . 18414 1 139 . THR . 18414 1 140 . ALA . 18414 1 141 . LEU . 18414 1 142 . VAL . 18414 1 143 . GLY . 18414 1 144 . GLU . 18414 1 145 . ILE . 18414 1 146 . LYS . 18414 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 18414 1 . ARG 2 2 18414 1 . GLN 3 3 18414 1 . LEU 4 4 18414 1 . ALA 5 5 18414 1 . LYS 6 6 18414 1 . ASP 7 7 18414 1 . ILE 8 8 18414 1 . ASN 9 9 18414 1 . ALA 10 10 18414 1 . PHE 11 11 18414 1 . LEU 12 12 18414 1 . ASN 13 13 18414 1 . GLU 14 14 18414 1 . VAL 15 15 18414 1 . ILE 16 16 18414 1 . LEU 17 17 18414 1 . GLN 18 18 18414 1 . ALA 19 19 18414 1 . GLU 20 20 18414 1 . ASN 21 21 18414 1 . GLN 22 22 18414 1 . HIS 23 23 18414 1 . GLU 24 24 18414 1 . ILE 25 25 18414 1 . LEU 26 26 18414 1 . ILE 27 27 18414 1 . GLY 28 28 18414 1 . HIS 29 29 18414 1 . CYS 30 30 18414 1 . THR 31 31 18414 1 . SER 32 32 18414 1 . GLU 33 33 18414 1 . VAL 34 34 18414 1 . ALA 35 35 18414 1 . LEU 36 36 18414 1 . THR 37 37 18414 1 . ASN 38 38 18414 1 . THR 39 39 18414 1 . GLN 40 40 18414 1 . GLU 41 41 18414 1 . HIS 42 42 18414 1 . ILE 43 43 18414 1 . LEU 44 44 18414 1 . MET 45 45 18414 1 . LEU 46 46 18414 1 . LEU 47 47 18414 1 . SER 48 48 18414 1 . GLU 49 49 18414 1 . GLU 50 50 18414 1 . SER 51 51 18414 1 . LEU 52 52 18414 1 . THR 53 53 18414 1 . ASN 54 54 18414 1 . SER 55 55 18414 1 . GLU 56 56 18414 1 . LEU 57 57 18414 1 . ALA 58 58 18414 1 . ARG 59 59 18414 1 . ARG 60 60 18414 1 . LEU 61 61 18414 1 . ASN 62 62 18414 1 . VAL 63 63 18414 1 . SER 64 64 18414 1 . GLN 65 65 18414 1 . ALA 66 66 18414 1 . ALA 67 67 18414 1 . VAL 68 68 18414 1 . THR 69 69 18414 1 . LYS 70 70 18414 1 . ALA 71 71 18414 1 . ILE 72 72 18414 1 . LYS 73 73 18414 1 . SER 74 74 18414 1 . LEU 75 75 18414 1 . VAL 76 76 18414 1 . LYS 77 77 18414 1 . GLU 78 78 18414 1 . GLY 79 79 18414 1 . MET 80 80 18414 1 . LEU 81 81 18414 1 . GLU 82 82 18414 1 . THR 83 83 18414 1 . SER 84 84 18414 1 . LYS 85 85 18414 1 . ASP 86 86 18414 1 . SER 87 87 18414 1 . LYS 88 88 18414 1 . ASP 89 89 18414 1 . ALA 90 90 18414 1 . ARG 91 91 18414 1 . VAL 92 92 18414 1 . ILE 93 93 18414 1 . PHE 94 94 18414 1 . TYR 95 95 18414 1 . GLN 96 96 18414 1 . LEU 97 97 18414 1 . THR 98 98 18414 1 . ASP 99 99 18414 1 . LEU 100 100 18414 1 . ALA 101 101 18414 1 . ARG 102 102 18414 1 . PRO 103 103 18414 1 . ILE 104 104 18414 1 . ALA 105 105 18414 1 . GLU 106 106 18414 1 . GLU 107 107 18414 1 . HIS 108 108 18414 1 . HIS 109 109 18414 1 . HIS 110 110 18414 1 . HIS 111 111 18414 1 . HIS 112 112 18414 1 . GLU 113 113 18414 1 . HIS 114 114 18414 1 . THR 115 115 18414 1 . LEU 116 116 18414 1 . LEU 117 117 18414 1 . THR 118 118 18414 1 . TYR 119 119 18414 1 . GLU 120 120 18414 1 . GLN 121 121 18414 1 . VAL 122 122 18414 1 . ALA 123 123 18414 1 . THR 124 124 18414 1 . GLN 125 125 18414 1 . PHE 126 126 18414 1 . THR 127 127 18414 1 . PRO 128 128 18414 1 . ASN 129 129 18414 1 . GLU 130 130 18414 1 . GLN 131 131 18414 1 . LYS 132 132 18414 1 . VAL 133 133 18414 1 . ILE 134 134 18414 1 . GLN 135 135 18414 1 . ARG 136 136 18414 1 . PHE 137 137 18414 1 . LEU 138 138 18414 1 . THR 139 139 18414 1 . ALA 140 140 18414 1 . LEU 141 141 18414 1 . VAL 142 142 18414 1 . GLY 143 143 18414 1 . GLU 144 144 18414 1 . ILE 145 145 18414 1 . LYS 146 146 18414 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18414 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 65.409 _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 'ZINC ION' BMRB 18414 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18414 2 ZN 'Three letter code' 18414 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 ZN $chem_comp_ZN 18414 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18414 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18414 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AdcR . 373153 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae D39' . . Bacteria . Streptococcus pneumoniae D39 . . . . . . . . . . . . . . . SPD_2000 . . . . 18414 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18414 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AdcR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DE3 . . . . . . . . . . . . . . . pET3a . . . . . . 18414 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18414 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _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/Zn/q+2 InChI InChI 1.03 18414 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18414 ZN [Zn++] SMILES CACTVS 3.341 18414 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18414 ZN [Zn+2] SMILES ACDLabs 10.04 18414 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18414 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18414 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18414 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18414 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18414 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18414 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AdcR '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $AdcR . . 600 . . uM . . . . 18414 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18414 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18414 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 18414 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18414 1 pH 6.00 . pH 18414 1 pressure 1 . atm 18414 1 temperature 273 . K 18414 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18414 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18414 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18414 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18414 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18414 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18414 2 'peak picking' 18414 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18414 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18414 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18414 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 600 'Equipped with cryogenic probe' . . 18414 1 2 spectrometer_2 Varian VNMRS . 800 'Equipped with cryogenic probe' . . 18414 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18414 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18414 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18414 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18414 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18414 1 5 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18414 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18414 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18414 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18414 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18414 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18414 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18414 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18414 1 2 '3D HNCO' . . . 18414 1 3 '3D HNCA' . . . 18414 1 4 '3D HN(CO)CA' . . . 18414 1 5 '3D HN(CA)CB' . . . 18414 1 6 '3D HN(COCA)CB' . . . 18414 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 179.688 0 . 1 . . . . 1 MET C . 18414 1 2 . 1 1 2 2 ARG H H 1 7.794 0.001 . 1 . . . . 2 ARG H . 18414 1 3 . 1 1 2 2 ARG C C 13 177.332 0 . 1 . . . . 2 ARG C . 18414 1 4 . 1 1 2 2 ARG CA C 13 55.795 0 . 1 . . . . 2 ARG CA . 18414 1 5 . 1 1 2 2 ARG CB C 13 28.841 0.027 . 1 . . . . 2 ARG CB . 18414 1 6 . 1 1 2 2 ARG N N 15 115.267 0.049 . 1 . . . . 2 ARG N . 18414 1 7 . 1 1 3 3 GLN H H 1 8.848 0.009 . 1 . . . . 3 GLN H . 18414 1 8 . 1 1 3 3 GLN C C 13 177.736 0 . 1 . . . . 3 GLN C . 18414 1 9 . 1 1 3 3 GLN CA C 13 57.881 0.014 . 1 . . . . 3 GLN CA . 18414 1 10 . 1 1 3 3 GLN CB C 13 27.367 0.045 . 1 . . . . 3 GLN CB . 18414 1 11 . 1 1 3 3 GLN N N 15 123.339 0.133 . 1 . . . . 3 GLN N . 18414 1 12 . 1 1 4 4 LEU H H 1 8.667 0.026 . 1 . . . . 4 LEU H . 18414 1 13 . 1 1 4 4 LEU HD11 H 1 0.814 . . . . . . . 4 LEU HD11 . 18414 1 14 . 1 1 4 4 LEU HD12 H 1 0.814 . . . . . . . 4 LEU HD12 . 18414 1 15 . 1 1 4 4 LEU HD13 H 1 0.814 . . . . . . . 4 LEU HD13 . 18414 1 16 . 1 1 4 4 LEU HD21 H 1 0.774 . . . . . . . 4 LEU HD21 . 18414 1 17 . 1 1 4 4 LEU HD22 H 1 0.774 . . . . . . . 4 LEU HD22 . 18414 1 18 . 1 1 4 4 LEU HD23 H 1 0.774 . . . . . . . 4 LEU HD23 . 18414 1 19 . 1 1 4 4 LEU C C 13 177.943 0 . 1 . . . . 4 LEU C . 18414 1 20 . 1 1 4 4 LEU CA C 13 57.146 0.013 . 1 . . . . 4 LEU CA . 18414 1 21 . 1 1 4 4 LEU CB C 13 40.275 0 . 1 . . . . 4 LEU CB . 18414 1 22 . 1 1 4 4 LEU CD1 C 13 23.307 . . . . . . . 4 LEU CD1 . 18414 1 23 . 1 1 4 4 LEU CD2 C 13 22.946 . . . . . . . 4 LEU CD2 . 18414 1 24 . 1 1 4 4 LEU N N 15 118.244 0.088 . 1 . . . . 4 LEU N . 18414 1 25 . 1 1 5 5 ALA H H 1 7.764 0.012 . 1 . . . . 5 ALA H . 18414 1 26 . 1 1 5 5 ALA C C 13 179.085 0 . 1 . . . . 5 ALA C . 18414 1 27 . 1 1 5 5 ALA CA C 13 55.971 0.106 . 1 . . . . 5 ALA CA . 18414 1 28 . 1 1 5 5 ALA CB C 13 18.066 0.034 . 1 . . . . 5 ALA CB . 18414 1 29 . 1 1 5 5 ALA N N 15 118.688 0.123 . 1 . . . . 5 ALA N . 18414 1 30 . 1 1 6 6 LYS H H 1 7.177 0.018 . 1 . . . . 6 LYS H . 18414 1 31 . 1 1 6 6 LYS CA C 13 59.04 0 . 1 . . . . 6 LYS CA . 18414 1 32 . 1 1 6 6 LYS CB C 13 31.078 0 . 1 . . . . 6 LYS CB . 18414 1 33 . 1 1 6 6 LYS N N 15 115.721 0.104 . 1 . . . . 6 LYS N . 18414 1 34 . 1 1 7 7 ASP C C 13 179.687 0 . 1 . . . . 7 ASP C . 18414 1 35 . 1 1 7 7 ASP CA C 13 57.099 0 . 1 . . . . 7 ASP CA . 18414 1 36 . 1 1 8 8 ILE H H 1 8.682 0.004 . 1 . . . . 8 ILE H . 18414 1 37 . 1 1 8 8 ILE HD11 H 1 0.892 . . . . . . . 8 ILE HD11 . 18414 1 38 . 1 1 8 8 ILE HD12 H 1 0.892 . . . . . . . 8 ILE HD12 . 18414 1 39 . 1 1 8 8 ILE HD13 H 1 0.892 . . . . . . . 8 ILE HD13 . 18414 1 40 . 1 1 8 8 ILE C C 13 176.914 0 . 1 . . . . 8 ILE C . 18414 1 41 . 1 1 8 8 ILE CA C 13 65.861 0 . 1 . . . . 8 ILE CA . 18414 1 42 . 1 1 8 8 ILE CB C 13 37.43 0.104 . 1 . . . . 8 ILE CB . 18414 1 43 . 1 1 8 8 ILE CD1 C 13 14.701 . . . . . . . 8 ILE CD1 . 18414 1 44 . 1 1 8 8 ILE N N 15 121.876 0.173 . 1 . . . . 8 ILE N . 18414 1 45 . 1 1 9 9 ASN H H 1 7.462 0.005 . 1 . . . . 9 ASN H . 18414 1 46 . 1 1 9 9 ASN C C 13 177.32 0 . 1 . . . . 9 ASN C . 18414 1 47 . 1 1 9 9 ASN CB C 13 39.853 0.065 . 1 . . . . 9 ASN CB . 18414 1 48 . 1 1 9 9 ASN N N 15 116.737 0.119 . 1 . . . . 9 ASN N . 18414 1 49 . 1 1 10 10 ALA H H 1 7.905 0.007 . 1 . . . . 10 ALA H . 18414 1 50 . 1 1 10 10 ALA C C 13 180.088 0 . 1 . . . . 10 ALA C . 18414 1 51 . 1 1 10 10 ALA CA C 13 53.231 0.058 . 1 . . . . 10 ALA CA . 18414 1 52 . 1 1 10 10 ALA CB C 13 17.818 0.002 . 1 . . . . 10 ALA CB . 18414 1 53 . 1 1 10 10 ALA N N 15 121.557 0.246 . 1 . . . . 10 ALA N . 18414 1 54 . 1 1 11 11 PHE H H 1 8.269 0.005 . 1 . . . . 11 PHE H . 18414 1 55 . 1 1 11 11 PHE C C 13 179.304 0 . 1 . . . . 11 PHE C . 18414 1 56 . 1 1 11 11 PHE CA C 13 60.461 0.004 . 1 . . . . 11 PHE CA . 18414 1 57 . 1 1 11 11 PHE CB C 13 38.578 0 . 1 . . . . 11 PHE CB . 18414 1 58 . 1 1 11 11 PHE N N 15 119.927 0.06 . 1 . . . . 11 PHE N . 18414 1 59 . 1 1 12 12 LEU H H 1 8.257 0.009 . 1 . . . . 12 LEU H . 18414 1 60 . 1 1 12 12 LEU HD21 H 1 0.870 . . . . . . . 12 LEU HD21 . 18414 1 61 . 1 1 12 12 LEU HD22 H 1 0.870 . . . . . . . 12 LEU HD22 . 18414 1 62 . 1 1 12 12 LEU HD23 H 1 0.870 . . . . . . . 12 LEU HD23 . 18414 1 63 . 1 1 12 12 LEU CA C 13 57.35 0 . 1 . . . . 12 LEU CA . 18414 1 64 . 1 1 12 12 LEU CB C 13 40.395 0 . 1 . . . . 12 LEU CB . 18414 1 65 . 1 1 12 12 LEU CD2 C 13 23.438 . . . . . . . 12 LEU CD2 . 18414 1 66 . 1 1 12 12 LEU N N 15 118.193 0.073 . 1 . . . . 12 LEU N . 18414 1 67 . 1 1 13 13 ASN C C 13 178.293 0 . 1 . . . . 13 ASN C . 18414 1 68 . 1 1 13 13 ASN CA C 13 54.39 0 . 1 . . . . 13 ASN CA . 18414 1 69 . 1 1 13 13 ASN CB C 13 41.46 0 . 1 . . . . 13 ASN CB . 18414 1 70 . 1 1 14 14 GLU H H 1 8.205 0.005 . 1 . . . . 14 GLU H . 18414 1 71 . 1 1 14 14 GLU C C 13 179.127 0 . 1 . . . . 14 GLU C . 18414 1 72 . 1 1 14 14 GLU CA C 13 59.165 0 . 1 . . . . 14 GLU CA . 18414 1 73 . 1 1 14 14 GLU CB C 13 32.067 0 . 1 . . . . 14 GLU CB . 18414 1 74 . 1 1 14 14 GLU N N 15 117.209 0.123 . 1 . . . . 14 GLU N . 18414 1 75 . 1 1 15 15 VAL H H 1 8.376 0.009 . 1 . . . . 15 VAL H . 18414 1 76 . 1 1 15 15 VAL HG11 H 1 1.073 . . . . . . . 15 VAL HG11 . 18414 1 77 . 1 1 15 15 VAL HG12 H 1 1.073 . . . . . . . 15 VAL HG12 . 18414 1 78 . 1 1 15 15 VAL HG13 H 1 1.073 . . . . . . . 15 VAL HG13 . 18414 1 79 . 1 1 15 15 VAL HG21 H 1 1.100 . . . . . . . 15 VAL HG21 . 18414 1 80 . 1 1 15 15 VAL HG22 H 1 1.100 . . . . . . . 15 VAL HG22 . 18414 1 81 . 1 1 15 15 VAL HG23 H 1 1.100 . . . . . . . 15 VAL HG23 . 18414 1 82 . 1 1 15 15 VAL C C 13 177.043 0 . 1 . . . . 15 VAL C . 18414 1 83 . 1 1 15 15 VAL CA C 13 65.63 0 . 1 . . . . 15 VAL CA . 18414 1 84 . 1 1 15 15 VAL CB C 13 30.45 0.041 . 1 . . . . 15 VAL CB . 18414 1 85 . 1 1 15 15 VAL CG1 C 13 20.863 . . . . . . . 15 VAL CG1 . 18414 1 86 . 1 1 15 15 VAL CG2 C 13 23.646 . . . . . . . 15 VAL CG2 . 18414 1 87 . 1 1 15 15 VAL N N 15 117.854 0.03 . 1 . . . . 15 VAL N . 18414 1 88 . 1 1 16 16 ILE H H 1 7.553 0.003 . 1 . . . . 16 ILE H . 18414 1 89 . 1 1 16 16 ILE HD11 H 1 0.553 . . . . . . . 16 ILE HD11 . 18414 1 90 . 1 1 16 16 ILE HD12 H 1 0.553 . . . . . . . 16 ILE HD12 . 18414 1 91 . 1 1 16 16 ILE HD13 H 1 0.553 . . . . . . . 16 ILE HD13 . 18414 1 92 . 1 1 16 16 ILE C C 13 173.862 0 . 1 . . . . 16 ILE C . 18414 1 93 . 1 1 16 16 ILE CA C 13 63.258 0.058 . 1 . . . . 16 ILE CA . 18414 1 94 . 1 1 16 16 ILE CB C 13 36.245 0 . 1 . . . . 16 ILE CB . 18414 1 95 . 1 1 16 16 ILE CD1 C 13 13.181 . . . . . . . 16 ILE CD1 . 18414 1 96 . 1 1 16 16 ILE N N 15 116.68 0.147 . 1 . . . . 16 ILE N . 18414 1 97 . 1 1 17 17 LEU H H 1 7.641 0.01 . 1 . . . . 17 LEU H . 18414 1 98 . 1 1 17 17 LEU HD11 H 1 0.978 . . . . . . . 17 LEU HD11 . 18414 1 99 . 1 1 17 17 LEU HD12 H 1 0.978 . . . . . . . 17 LEU HD12 . 18414 1 100 . 1 1 17 17 LEU HD13 H 1 0.978 . . . . . . . 17 LEU HD13 . 18414 1 101 . 1 1 17 17 LEU HD21 H 1 0.943 . . . . . . . 17 LEU HD21 . 18414 1 102 . 1 1 17 17 LEU HD22 H 1 0.943 . . . . . . . 17 LEU HD22 . 18414 1 103 . 1 1 17 17 LEU HD23 H 1 0.943 . . . . . . . 17 LEU HD23 . 18414 1 104 . 1 1 17 17 LEU C C 13 180.155 0 . 1 . . . . 17 LEU C . 18414 1 105 . 1 1 17 17 LEU CA C 13 57.877 0.191 . 1 . . . . 17 LEU CA . 18414 1 106 . 1 1 17 17 LEU CB C 13 40.466 0 . 1 . . . . 17 LEU CB . 18414 1 107 . 1 1 17 17 LEU CD1 C 13 25.150 . . . . . . . 17 LEU CD1 . 18414 1 108 . 1 1 17 17 LEU CD2 C 13 23.372 . . . . . . . 17 LEU CD2 . 18414 1 109 . 1 1 17 17 LEU N N 15 119.841 0.019 . 1 . . . . 17 LEU N . 18414 1 110 . 1 1 18 18 GLN H H 1 7.928 0.005 . 1 . . . . 18 GLN H . 18414 1 111 . 1 1 18 18 GLN C C 13 177.32 0 . 1 . . . . 18 GLN C . 18414 1 112 . 1 1 18 18 GLN CA C 13 56.593 0.065 . 1 . . . . 18 GLN CA . 18414 1 113 . 1 1 18 18 GLN CB C 13 26.947 0 . 1 . . . . 18 GLN CB . 18414 1 114 . 1 1 18 18 GLN N N 15 116.797 0.077 . 1 . . . . 18 GLN N . 18414 1 115 . 1 1 19 19 ALA H H 1 7.709 0.001 . 1 . . . . 19 ALA H . 18414 1 116 . 1 1 19 19 ALA C C 13 177.505 0 . 1 . . . . 19 ALA C . 18414 1 117 . 1 1 19 19 ALA CA C 13 52.085 0.03 . 1 . . . . 19 ALA CA . 18414 1 118 . 1 1 19 19 ALA CB C 13 18.696 0.026 . 1 . . . . 19 ALA CB . 18414 1 119 . 1 1 19 19 ALA N N 15 120.069 0.134 . 1 . . . . 19 ALA N . 18414 1 120 . 1 1 20 20 GLU H H 1 7.523 0.006 . 1 . . . . 20 GLU H . 18414 1 121 . 1 1 20 20 GLU C C 13 177.076 0 . 1 . . . . 20 GLU C . 18414 1 122 . 1 1 20 20 GLU CA C 13 58.371 0.021 . 1 . . . . 20 GLU CA . 18414 1 123 . 1 1 20 20 GLU CB C 13 28.36 0.066 . 1 . . . . 20 GLU CB . 18414 1 124 . 1 1 20 20 GLU N N 15 119.077 0.054 . 1 . . . . 20 GLU N . 18414 1 125 . 1 1 21 21 ASN H H 1 8.9 0.011 . 1 . . . . 21 ASN H . 18414 1 126 . 1 1 21 21 ASN C C 13 175.02 0 . 1 . . . . 21 ASN C . 18414 1 127 . 1 1 21 21 ASN CA C 13 54.495 0.079 . 1 . . . . 21 ASN CA . 18414 1 128 . 1 1 21 21 ASN CB C 13 38.016 0.035 . 1 . . . . 21 ASN CB . 18414 1 129 . 1 1 21 21 ASN N N 15 116.548 0.072 . 1 . . . . 21 ASN N . 18414 1 130 . 1 1 22 22 GLN H H 1 8.235 0.005 . 1 . . . . 22 GLN H . 18414 1 131 . 1 1 22 22 GLN C C 13 177.732 0 . 1 . . . . 22 GLN C . 18414 1 132 . 1 1 22 22 GLN CA C 13 55.444 0 . 1 . . . . 22 GLN CA . 18414 1 133 . 1 1 22 22 GLN CB C 13 30.231 0 . 1 . . . . 22 GLN CB . 18414 1 134 . 1 1 22 22 GLN N N 15 116.481 0.026 . 1 . . . . 22 GLN N . 18414 1 135 . 1 1 23 23 HIS H H 1 8.311 0.013 . 1 . . . . 23 HIS H . 18414 1 136 . 1 1 23 23 HIS C C 13 177.819 0 . 1 . . . . 23 HIS C . 18414 1 137 . 1 1 23 23 HIS CA C 13 57.782 0 . 1 . . . . 23 HIS CA . 18414 1 138 . 1 1 23 23 HIS CB C 13 30.155 0 . 1 . . . . 23 HIS CB . 18414 1 139 . 1 1 23 23 HIS N N 15 117.918 0.13 . 1 . . . . 23 HIS N . 18414 1 140 . 1 1 24 24 GLU H H 1 8.33 0.001 . 1 . . . . 24 GLU H . 18414 1 141 . 1 1 24 24 GLU C C 13 173.253 0 . 1 . . . . 24 GLU C . 18414 1 142 . 1 1 24 24 GLU CA C 13 53.494 0.054 . 1 . . . . 24 GLU CA . 18414 1 143 . 1 1 24 24 GLU CB C 13 29.434 0.034 . 1 . . . . 24 GLU CB . 18414 1 144 . 1 1 24 24 GLU N N 15 115.958 0.09 . 1 . . . . 24 GLU N . 18414 1 145 . 1 1 25 25 ILE H H 1 8.824 0.003 . 1 . . . . 25 ILE H . 18414 1 146 . 1 1 25 25 ILE HD11 H 1 0.745 . . . . . . . 25 ILE HD11 . 18414 1 147 . 1 1 25 25 ILE HD12 H 1 0.745 . . . . . . . 25 ILE HD12 . 18414 1 148 . 1 1 25 25 ILE HD13 H 1 0.745 . . . . . . . 25 ILE HD13 . 18414 1 149 . 1 1 25 25 ILE C C 13 174.382 0 . 1 . . . . 25 ILE C . 18414 1 150 . 1 1 25 25 ILE CA C 13 58.997 0.028 . 1 . . . . 25 ILE CA . 18414 1 151 . 1 1 25 25 ILE CB C 13 37.017 0.031 . 1 . . . . 25 ILE CB . 18414 1 152 . 1 1 25 25 ILE CD1 C 13 11.992 . . . . . . . 25 ILE CD1 . 18414 1 153 . 1 1 25 25 ILE N N 15 120.339 0.114 . 1 . . . . 25 ILE N . 18414 1 154 . 1 1 26 26 LEU H H 1 7.951 0.004 . 1 . . . . 26 LEU H . 18414 1 155 . 1 1 26 26 LEU HD11 H 1 0.549 . . . . . . . 26 LEU HD11 . 18414 1 156 . 1 1 26 26 LEU HD12 H 1 0.549 . . . . . . . 26 LEU HD12 . 18414 1 157 . 1 1 26 26 LEU HD13 H 1 0.549 . . . . . . . 26 LEU HD13 . 18414 1 158 . 1 1 26 26 LEU HD21 H 1 -0.417 . . . . . . . 26 LEU HD21 . 18414 1 159 . 1 1 26 26 LEU HD22 H 1 -0.417 . . . . . . . 26 LEU HD22 . 18414 1 160 . 1 1 26 26 LEU HD23 H 1 -0.417 . . . . . . . 26 LEU HD23 . 18414 1 161 . 1 1 26 26 LEU C C 13 175.606 0 . 1 . . . . 26 LEU C . 18414 1 162 . 1 1 26 26 LEU CA C 13 52.345 0.042 . 1 . . . . 26 LEU CA . 18414 1 163 . 1 1 26 26 LEU CB C 13 42.849 0.04 . 1 . . . . 26 LEU CB . 18414 1 164 . 1 1 26 26 LEU CD1 C 13 27.024 . . . . . . . 26 LEU CD1 . 18414 1 165 . 1 1 26 26 LEU CD2 C 13 20.967 . . . . . . . 26 LEU CD2 . 18414 1 166 . 1 1 26 26 LEU N N 15 127.304 0.04 . 1 . . . . 26 LEU N . 18414 1 167 . 1 1 27 27 ILE H H 1 7.966 0.006 . 1 . . . . 27 ILE H . 18414 1 168 . 1 1 27 27 ILE HD11 H 1 0.801 . . . . . . . 27 ILE HD11 . 18414 1 169 . 1 1 27 27 ILE HD12 H 1 0.801 . . . . . . . 27 ILE HD12 . 18414 1 170 . 1 1 27 27 ILE HD13 H 1 0.801 . . . . . . . 27 ILE HD13 . 18414 1 171 . 1 1 27 27 ILE C C 13 177.706 0 . 1 . . . . 27 ILE C . 18414 1 172 . 1 1 27 27 ILE CA C 13 59.097 0.081 . 1 . . . . 27 ILE CA . 18414 1 173 . 1 1 27 27 ILE CB C 13 36.404 0.085 . 1 . . . . 27 ILE CB . 18414 1 174 . 1 1 27 27 ILE CD1 C 13 10.879 . . . . . . . 27 ILE CD1 . 18414 1 175 . 1 1 27 27 ILE N N 15 122.082 0.06 . 1 . . . . 27 ILE N . 18414 1 176 . 1 1 28 28 GLY H H 1 8.943 0.003 . 1 . . . . 28 GLY H . 18414 1 177 . 1 1 28 28 GLY C C 13 174.202 0 . 1 . . . . 28 GLY C . 18414 1 178 . 1 1 28 28 GLY CA C 13 43.725 0.057 . 1 . . . . 28 GLY CA . 18414 1 179 . 1 1 28 28 GLY N N 15 116.365 0.064 . 1 . . . . 28 GLY N . 18414 1 180 . 1 1 29 29 HIS H H 1 8.352 0.012 . 1 . . . . 29 HIS H . 18414 1 181 . 1 1 29 29 HIS C C 13 174.88 0 . 1 . . . . 29 HIS C . 18414 1 182 . 1 1 29 29 HIS CA C 13 55.021 0.063 . 1 . . . . 29 HIS CA . 18414 1 183 . 1 1 29 29 HIS CB C 13 29.321 0.073 . 1 . . . . 29 HIS CB . 18414 1 184 . 1 1 29 29 HIS N N 15 117.267 0.056 . 1 . . . . 29 HIS N . 18414 1 185 . 1 1 30 30 CYS H H 1 8.648 0.003 . 1 . . . . 30 CYS H . 18414 1 186 . 1 1 30 30 CYS C C 13 177.533 0 . 1 . . . . 30 CYS C . 18414 1 187 . 1 1 30 30 CYS CA C 13 59.479 0.052 . 1 . . . . 30 CYS CA . 18414 1 188 . 1 1 30 30 CYS CB C 13 28.909 0.058 . 1 . . . . 30 CYS CB . 18414 1 189 . 1 1 30 30 CYS N N 15 125.669 0.04 . 1 . . . . 30 CYS N . 18414 1 190 . 1 1 31 31 THR H H 1 8.418 0.004 . 1 . . . . 31 THR H . 18414 1 191 . 1 1 31 31 THR C C 13 175.343 0 . 1 . . . . 31 THR C . 18414 1 192 . 1 1 31 31 THR CA C 13 60.81 0 . 1 . . . . 31 THR CA . 18414 1 193 . 1 1 31 31 THR CB C 13 68.464 0.2 . 1 . . . . 31 THR CB . 18414 1 194 . 1 1 31 31 THR N N 15 120.514 0.041 . 1 . . . . 31 THR N . 18414 1 195 . 1 1 32 32 SER H H 1 8.924 0.004 . 1 . . . . 32 SER H . 18414 1 196 . 1 1 32 32 SER C C 13 175.502 0 . 1 . . . . 32 SER C . 18414 1 197 . 1 1 32 32 SER CA C 13 59.427 0.085 . 1 . . . . 32 SER CA . 18414 1 198 . 1 1 32 32 SER CB C 13 62.771 0.056 . 1 . . . . 32 SER CB . 18414 1 199 . 1 1 32 32 SER N N 15 122.449 0.057 . 1 . . . . 32 SER N . 18414 1 200 . 1 1 33 33 GLU H H 1 8.804 0.003 . 1 . . . . 33 GLU H . 18414 1 201 . 1 1 33 33 GLU C C 13 176.261 0 . 1 . . . . 33 GLU C . 18414 1 202 . 1 1 33 33 GLU CA C 13 57.27 0.036 . 1 . . . . 33 GLU CA . 18414 1 203 . 1 1 33 33 GLU CB C 13 28.625 0.16 . 1 . . . . 33 GLU CB . 18414 1 204 . 1 1 33 33 GLU N N 15 122.725 0.095 . 1 . . . . 33 GLU N . 18414 1 205 . 1 1 34 34 VAL H H 1 7.315 0.004 . 1 . . . . 34 VAL H . 18414 1 206 . 1 1 34 34 VAL HG11 H 1 0.859 . . . . . . . 34 VAL HG11 . 18414 1 207 . 1 1 34 34 VAL HG12 H 1 0.859 . . . . . . . 34 VAL HG12 . 18414 1 208 . 1 1 34 34 VAL HG13 H 1 0.859 . . . . . . . 34 VAL HG13 . 18414 1 209 . 1 1 34 34 VAL HG21 H 1 0.889 . . . . . . . 34 VAL HG21 . 18414 1 210 . 1 1 34 34 VAL HG22 H 1 0.889 . . . . . . . 34 VAL HG22 . 18414 1 211 . 1 1 34 34 VAL HG23 H 1 0.889 . . . . . . . 34 VAL HG23 . 18414 1 212 . 1 1 34 34 VAL C C 13 175.2 0 . 1 . . . . 34 VAL C . 18414 1 213 . 1 1 34 34 VAL CA C 13 61.008 0.008 . 1 . . . . 34 VAL CA . 18414 1 214 . 1 1 34 34 VAL CB C 13 32.342 0.026 . 1 . . . . 34 VAL CB . 18414 1 215 . 1 1 34 34 VAL CG1 C 13 21.102 . . . . . . . 34 VAL CG1 . 18414 1 216 . 1 1 34 34 VAL CG2 C 13 20.549 . . . . . . . 34 VAL CG2 . 18414 1 217 . 1 1 34 34 VAL N N 15 117.084 0.063 . 1 . . . . 34 VAL N . 18414 1 218 . 1 1 35 35 ALA H H 1 8.358 0.003 . 1 . . . . 35 ALA H . 18414 1 219 . 1 1 35 35 ALA C C 13 176.094 0 . 1 . . . . 35 ALA C . 18414 1 220 . 1 1 35 35 ALA CA C 13 52.004 0.024 . 1 . . . . 35 ALA CA . 18414 1 221 . 1 1 35 35 ALA CB C 13 16.793 0.084 . 1 . . . . 35 ALA CB . 18414 1 222 . 1 1 35 35 ALA N N 15 128.477 0.044 . 1 . . . . 35 ALA N . 18414 1 223 . 1 1 36 36 LEU H H 1 8.121 0.005 . 1 . . . . 36 LEU H . 18414 1 224 . 1 1 36 36 LEU HD11 H 1 0.820 . . . . . . . 36 LEU HD11 . 18414 1 225 . 1 1 36 36 LEU HD12 H 1 0.820 . . . . . . . 36 LEU HD12 . 18414 1 226 . 1 1 36 36 LEU HD13 H 1 0.820 . . . . . . . 36 LEU HD13 . 18414 1 227 . 1 1 36 36 LEU C C 13 177.78 0 . 1 . . . . 36 LEU C . 18414 1 228 . 1 1 36 36 LEU CA C 13 53.132 0.014 . 1 . . . . 36 LEU CA . 18414 1 229 . 1 1 36 36 LEU CB C 13 43.334 0.128 . 1 . . . . 36 LEU CB . 18414 1 230 . 1 1 36 36 LEU CD1 C 13 27.072 . . . . . . . 36 LEU CD1 . 18414 1 231 . 1 1 36 36 LEU N N 15 123.292 0.044 . 1 . . . . 36 LEU N . 18414 1 232 . 1 1 37 37 THR H H 1 8.542 0.006 . 1 . . . . 37 THR H . 18414 1 233 . 1 1 37 37 THR C C 13 175.582 0 . 1 . . . . 37 THR C . 18414 1 234 . 1 1 37 37 THR CA C 13 60.735 0.038 . 1 . . . . 37 THR CA . 18414 1 235 . 1 1 37 37 THR CB C 13 70.462 0.012 . 1 . . . . 37 THR CB . 18414 1 236 . 1 1 37 37 THR N N 15 111.278 0.213 . 1 . . . . 37 THR N . 18414 1 237 . 1 1 38 38 ASN H H 1 9.305 0.006 . 1 . . . . 38 ASN H . 18414 1 238 . 1 1 38 38 ASN C C 13 177.368 0 . 1 . . . . 38 ASN C . 18414 1 239 . 1 1 38 38 ASN CA C 13 58.253 0.06 . 1 . . . . 38 ASN CA . 18414 1 240 . 1 1 38 38 ASN CB C 13 39.163 0.1 . 1 . . . . 38 ASN CB . 18414 1 241 . 1 1 38 38 ASN N N 15 119.798 0.063 . 1 . . . . 38 ASN N . 18414 1 242 . 1 1 39 39 THR H H 1 8.333 0.003 . 1 . . . . 39 THR H . 18414 1 243 . 1 1 39 39 THR C C 13 176.056 0 . 1 . . . . 39 THR C . 18414 1 244 . 1 1 39 39 THR CA C 13 66.47 0.116 . 1 . . . . 39 THR CA . 18414 1 245 . 1 1 39 39 THR CB C 13 68.4 0.238 . 1 . . . . 39 THR CB . 18414 1 246 . 1 1 39 39 THR N N 15 114.28 0.091 . 1 . . . . 39 THR N . 18414 1 247 . 1 1 40 40 GLN H H 1 7.677 0.007 . 1 . . . . 40 GLN H . 18414 1 248 . 1 1 40 40 GLN C C 13 177.926 0 . 1 . . . . 40 GLN C . 18414 1 249 . 1 1 40 40 GLN CA C 13 59.678 0 . 1 . . . . 40 GLN CA . 18414 1 250 . 1 1 40 40 GLN CB C 13 28.609 0 . 1 . . . . 40 GLN CB . 18414 1 251 . 1 1 40 40 GLN N N 15 119.004 0.084 . 1 . . . . 40 GLN N . 18414 1 252 . 1 1 41 41 GLU H H 1 8.491 0.003 . 1 . . . . 41 GLU H . 18414 1 253 . 1 1 41 41 GLU CA C 13 60.009 0 . 1 . . . . 41 GLU CA . 18414 1 254 . 1 1 41 41 GLU CB C 13 28.181 0 . 1 . . . . 41 GLU CB . 18414 1 255 . 1 1 41 41 GLU N N 15 118.551 0.055 . 1 . . . . 41 GLU N . 18414 1 256 . 1 1 42 42 HIS H H 1 9.064 0.002 . 1 . . . . 42 HIS H . 18414 1 257 . 1 1 42 42 HIS C C 13 177.515 0 . 1 . . . . 42 HIS C . 18414 1 258 . 1 1 42 42 HIS CA C 13 57.067 0.03 . 1 . . . . 42 HIS CA . 18414 1 259 . 1 1 42 42 HIS CB C 13 31.568 0 . 1 . . . . 42 HIS CB . 18414 1 260 . 1 1 42 42 HIS N N 15 125.043 0.047 . 1 . . . . 42 HIS N . 18414 1 261 . 1 1 43 43 ILE H H 1 8.159 0.005 . 1 . . . . 43 ILE H . 18414 1 262 . 1 1 43 43 ILE HD11 H 1 0.614 . . . . . . . 43 ILE HD11 . 18414 1 263 . 1 1 43 43 ILE HD12 H 1 0.614 . . . . . . . 43 ILE HD12 . 18414 1 264 . 1 1 43 43 ILE HD13 H 1 0.614 . . . . . . . 43 ILE HD13 . 18414 1 265 . 1 1 43 43 ILE C C 13 176.41 0 . 1 . . . . 43 ILE C . 18414 1 266 . 1 1 43 43 ILE CA C 13 66.213 0.11 . 1 . . . . 43 ILE CA . 18414 1 267 . 1 1 43 43 ILE CB C 13 37.224 0.352 . 1 . . . . 43 ILE CB . 18414 1 268 . 1 1 43 43 ILE CD1 C 13 14.093 . . . . . . . 43 ILE CD1 . 18414 1 269 . 1 1 43 43 ILE N N 15 118.42 0.166 . 1 . . . . 43 ILE N . 18414 1 270 . 1 1 44 44 LEU H H 1 7.45 0.011 . 1 . . . . 44 LEU H . 18414 1 271 . 1 1 44 44 LEU HD11 H 1 0.398 . . . . . . . 44 LEU HD11 . 18414 1 272 . 1 1 44 44 LEU HD12 H 1 0.398 . . . . . . . 44 LEU HD12 . 18414 1 273 . 1 1 44 44 LEU HD13 H 1 0.398 . . . . . . . 44 LEU HD13 . 18414 1 274 . 1 1 44 44 LEU HD21 H 1 -0.226 . . . . . . . 44 LEU HD21 . 18414 1 275 . 1 1 44 44 LEU HD22 H 1 -0.226 . . . . . . . 44 LEU HD22 . 18414 1 276 . 1 1 44 44 LEU HD23 H 1 -0.226 . . . . . . . 44 LEU HD23 . 18414 1 277 . 1 1 44 44 LEU C C 13 178.373 0 . 1 . . . . 44 LEU C . 18414 1 278 . 1 1 44 44 LEU CA C 13 57.486 0.107 . 1 . . . . 44 LEU CA . 18414 1 279 . 1 1 44 44 LEU CB C 13 39.748 0.134 . 1 . . . . 44 LEU CB . 18414 1 280 . 1 1 44 44 LEU CD1 C 13 25.620 . . . . . . . 44 LEU CD1 . 18414 1 281 . 1 1 44 44 LEU CD2 C 13 19.614 . . . . . . . 44 LEU CD2 . 18414 1 282 . 1 1 44 44 LEU N N 15 116.803 0.116 . 1 . . . . 44 LEU N . 18414 1 283 . 1 1 45 45 MET H H 1 7.716 0.007 . 1 . . . . 45 MET H . 18414 1 284 . 1 1 45 45 MET C C 13 179.512 0 . 1 . . . . 45 MET C . 18414 1 285 . 1 1 45 45 MET CA C 13 55.613 0 . 1 . . . . 45 MET CA . 18414 1 286 . 1 1 45 45 MET CB C 13 37.566 0.153 . 1 . . . . 45 MET CB . 18414 1 287 . 1 1 45 45 MET N N 15 114.593 0.143 . 1 . . . . 45 MET N . 18414 1 288 . 1 1 46 46 LEU H H 1 8.36 0.004 . 1 . . . . 46 LEU H . 18414 1 289 . 1 1 46 46 LEU HD21 H 1 0.783 . . . . . . . 46 LEU HD21 . 18414 1 290 . 1 1 46 46 LEU HD22 H 1 0.783 . . . . . . . 46 LEU HD22 . 18414 1 291 . 1 1 46 46 LEU HD23 H 1 0.783 . . . . . . . 46 LEU HD23 . 18414 1 292 . 1 1 46 46 LEU C C 13 179.791 0 . 1 . . . . 46 LEU C . 18414 1 293 . 1 1 46 46 LEU CA C 13 57.822 0.029 . 1 . . . . 46 LEU CA . 18414 1 294 . 1 1 46 46 LEU CB C 13 40.785 0.227 . 1 . . . . 46 LEU CB . 18414 1 295 . 1 1 46 46 LEU CD2 C 13 22.205 . . . . . . . 46 LEU CD2 . 18414 1 296 . 1 1 46 46 LEU N N 15 120.207 0.071 . 1 . . . . 46 LEU N . 18414 1 297 . 1 1 47 47 LEU H H 1 8.272 0.003 . 1 . . . . 47 LEU H . 18414 1 298 . 1 1 47 47 LEU HD21 H 1 1.210 . . . . . . . 47 LEU HD21 . 18414 1 299 . 1 1 47 47 LEU HD22 H 1 1.210 . . . . . . . 47 LEU HD22 . 18414 1 300 . 1 1 47 47 LEU HD23 H 1 1.210 . . . . . . . 47 LEU HD23 . 18414 1 301 . 1 1 47 47 LEU C C 13 178.42 0 . 1 . . . . 47 LEU C . 18414 1 302 . 1 1 47 47 LEU CA C 13 55.436 0.032 . 1 . . . . 47 LEU CA . 18414 1 303 . 1 1 47 47 LEU CB C 13 41.149 0.045 . 1 . . . . 47 LEU CB . 18414 1 304 . 1 1 47 47 LEU CD2 C 13 23.413 . . . . . . . 47 LEU CD2 . 18414 1 305 . 1 1 47 47 LEU N N 15 117.019 0.142 . 1 . . . . 47 LEU N . 18414 1 306 . 1 1 48 48 SER H H 1 7.937 0.004 . 1 . . . . 48 SER H . 18414 1 307 . 1 1 48 48 SER C C 13 175.089 0 . 1 . . . . 48 SER C . 18414 1 308 . 1 1 48 48 SER CA C 13 60.252 0.016 . 1 . . . . 48 SER CA . 18414 1 309 . 1 1 48 48 SER CB C 13 62.4 0.174 . 1 . . . . 48 SER CB . 18414 1 310 . 1 1 48 48 SER N N 15 114.485 0.094 . 1 . . . . 48 SER N . 18414 1 311 . 1 1 49 49 GLU H H 1 7.43 0.005 . 1 . . . . 49 GLU H . 18414 1 312 . 1 1 49 49 GLU C C 13 176.239 0 . 1 . . . . 49 GLU C . 18414 1 313 . 1 1 49 49 GLU CA C 13 56.827 0.023 . 1 . . . . 49 GLU CA . 18414 1 314 . 1 1 49 49 GLU CB C 13 31.057 0.103 . 1 . . . . 49 GLU CB . 18414 1 315 . 1 1 49 49 GLU N N 15 119.535 0.097 . 1 . . . . 49 GLU N . 18414 1 316 . 1 1 50 50 GLU H H 1 7.97 0.009 . 1 . . . . 50 GLU H . 18414 1 317 . 1 1 50 50 GLU C C 13 173.654 0 . 1 . . . . 50 GLU C . 18414 1 318 . 1 1 50 50 GLU CA C 13 55.002 0.035 . 1 . . . . 50 GLU CA . 18414 1 319 . 1 1 50 50 GLU CB C 13 33.066 0.017 . 1 . . . . 50 GLU CB . 18414 1 320 . 1 1 50 50 GLU N N 15 118.031 0.193 . 1 . . . . 50 GLU N . 18414 1 321 . 1 1 51 51 SER H H 1 8.307 0.002 . 1 . . . . 51 SER H . 18414 1 322 . 1 1 51 51 SER C C 13 174.329 0 . 1 . . . . 51 SER C . 18414 1 323 . 1 1 51 51 SER CA C 13 57.275 0.044 . 1 . . . . 51 SER CA . 18414 1 324 . 1 1 51 51 SER CB C 13 62.035 0.098 . 1 . . . . 51 SER CB . 18414 1 325 . 1 1 51 51 SER N N 15 116.015 0.03 . 1 . . . . 51 SER N . 18414 1 326 . 1 1 52 52 LEU H H 1 6.865 0.002 . 1 . . . . 52 LEU H . 18414 1 327 . 1 1 52 52 LEU HD11 H 1 0.737 . . . . . . . 52 LEU HD11 . 18414 1 328 . 1 1 52 52 LEU HD12 H 1 0.737 . . . . . . . 52 LEU HD12 . 18414 1 329 . 1 1 52 52 LEU HD13 H 1 0.737 . . . . . . . 52 LEU HD13 . 18414 1 330 . 1 1 52 52 LEU HD21 H 1 0.814 . . . . . . . 52 LEU HD21 . 18414 1 331 . 1 1 52 52 LEU HD22 H 1 0.814 . . . . . . . 52 LEU HD22 . 18414 1 332 . 1 1 52 52 LEU HD23 H 1 0.814 . . . . . . . 52 LEU HD23 . 18414 1 333 . 1 1 52 52 LEU C C 13 176.544 0 . 1 . . . . 52 LEU C . 18414 1 334 . 1 1 52 52 LEU CA C 13 53.278 0.027 . 1 . . . . 52 LEU CA . 18414 1 335 . 1 1 52 52 LEU CB C 13 45.469 0.058 . 1 . . . . 52 LEU CB . 18414 1 336 . 1 1 52 52 LEU CD1 C 13 26.410 . . . . . . . 52 LEU CD1 . 18414 1 337 . 1 1 52 52 LEU CD2 C 13 23.307 . . . . . . . 52 LEU CD2 . 18414 1 338 . 1 1 52 52 LEU N N 15 123.701 0.032 . 1 . . . . 52 LEU N . 18414 1 339 . 1 1 53 53 THR H H 1 8.224 0.003 . 1 . . . . 53 THR H . 18414 1 340 . 1 1 53 53 THR C C 13 175.736 0 . 1 . . . . 53 THR C . 18414 1 341 . 1 1 53 53 THR CA C 13 59.823 0.005 . 1 . . . . 53 THR CA . 18414 1 342 . 1 1 53 53 THR CB C 13 71.144 0.049 . 1 . . . . 53 THR CB . 18414 1 343 . 1 1 53 53 THR N N 15 110.104 0.05 . 1 . . . . 53 THR N . 18414 1 344 . 1 1 54 54 ASN H H 1 9.18 0.006 . 1 . . . . 54 ASN H . 18414 1 345 . 1 1 54 54 ASN C C 13 177.663 0 . 1 . . . . 54 ASN C . 18414 1 346 . 1 1 54 54 ASN CA C 13 57.02 0.118 . 1 . . . . 54 ASN CA . 18414 1 347 . 1 1 54 54 ASN CB C 13 37.018 0.077 . 1 . . . . 54 ASN CB . 18414 1 348 . 1 1 54 54 ASN N N 15 119.157 0.057 . 1 . . . . 54 ASN N . 18414 1 349 . 1 1 55 55 SER H H 1 8.34 0.007 . 1 . . . . 55 SER H . 18414 1 350 . 1 1 55 55 SER C C 13 177.035 0 . 1 . . . . 55 SER C . 18414 1 351 . 1 1 55 55 SER CA C 13 60.986 0.046 . 1 . . . . 55 SER CA . 18414 1 352 . 1 1 55 55 SER CB C 13 61.828 0.065 . 1 . . . . 55 SER CB . 18414 1 353 . 1 1 55 55 SER N N 15 113.324 0.034 . 1 . . . . 55 SER N . 18414 1 354 . 1 1 56 56 GLU H H 1 7.661 0.007 . 1 . . . . 56 GLU H . 18414 1 355 . 1 1 56 56 GLU C C 13 179.31 0 . 1 . . . . 56 GLU C . 18414 1 356 . 1 1 56 56 GLU CA C 13 58.236 0.025 . 1 . . . . 56 GLU CA . 18414 1 357 . 1 1 56 56 GLU CB C 13 29.386 0.071 . 1 . . . . 56 GLU CB . 18414 1 358 . 1 1 56 56 GLU N N 15 123.48 0.055 . 1 . . . . 56 GLU N . 18414 1 359 . 1 1 57 57 LEU H H 1 8.562 0.006 . 1 . . . . 57 LEU H . 18414 1 360 . 1 1 57 57 LEU HD21 H 1 0.800 . . . . . . . 57 LEU HD21 . 18414 1 361 . 1 1 57 57 LEU HD22 H 1 0.800 . . . . . . . 57 LEU HD22 . 18414 1 362 . 1 1 57 57 LEU HD23 H 1 0.800 . . . . . . . 57 LEU HD23 . 18414 1 363 . 1 1 57 57 LEU C C 13 177.907 0 . 1 . . . . 57 LEU C . 18414 1 364 . 1 1 57 57 LEU CA C 13 58.134 0.031 . 1 . . . . 57 LEU CA . 18414 1 365 . 1 1 57 57 LEU CB C 13 41.752 0.112 . 1 . . . . 57 LEU CB . 18414 1 366 . 1 1 57 57 LEU CD2 C 13 25.597 . . . . . . . 57 LEU CD2 . 18414 1 367 . 1 1 57 57 LEU N N 15 120.212 0.047 . 1 . . . . 57 LEU N . 18414 1 368 . 1 1 58 58 ALA H H 1 8.008 0.003 . 1 . . . . 58 ALA H . 18414 1 369 . 1 1 58 58 ALA C C 13 179.446 0 . 1 . . . . 58 ALA C . 18414 1 370 . 1 1 58 58 ALA CA C 13 55.298 0.017 . 1 . . . . 58 ALA CA . 18414 1 371 . 1 1 58 58 ALA CB C 13 16.451 0.055 . 1 . . . . 58 ALA CB . 18414 1 372 . 1 1 58 58 ALA N N 15 119.611 0.046 . 1 . . . . 58 ALA N . 18414 1 373 . 1 1 59 59 ARG H H 1 7.514 0.004 . 1 . . . . 59 ARG H . 18414 1 374 . 1 1 59 59 ARG C C 13 179.611 0 . 1 . . . . 59 ARG C . 18414 1 375 . 1 1 59 59 ARG CA C 13 58.418 0.16 . 1 . . . . 59 ARG CA . 18414 1 376 . 1 1 59 59 ARG CB C 13 29.503 0.101 . 1 . . . . 59 ARG CB . 18414 1 377 . 1 1 59 59 ARG N N 15 116.256 0.073 . 1 . . . . 59 ARG N . 18414 1 378 . 1 1 60 60 ARG H H 1 8.169 0.005 . 1 . . . . 60 ARG H . 18414 1 379 . 1 1 60 60 ARG C C 13 178.302 0 . 1 . . . . 60 ARG C . 18414 1 380 . 1 1 60 60 ARG CA C 13 57.632 0.013 . 1 . . . . 60 ARG CA . 18414 1 381 . 1 1 60 60 ARG CB C 13 29.32 0 . 1 . . . . 60 ARG CB . 18414 1 382 . 1 1 60 60 ARG N N 15 117.502 0.154 . 1 . . . . 60 ARG N . 18414 1 383 . 1 1 61 61 LEU H H 1 7.936 0.002 . 1 . . . . 61 LEU H . 18414 1 384 . 1 1 61 61 LEU HD11 H 1 0.675 . . . . . . . 61 LEU HD11 . 18414 1 385 . 1 1 61 61 LEU HD12 H 1 0.675 . . . . . . . 61 LEU HD12 . 18414 1 386 . 1 1 61 61 LEU HD13 H 1 0.675 . . . . . . . 61 LEU HD13 . 18414 1 387 . 1 1 61 61 LEU HD21 H 1 0.704 . . . . . . . 61 LEU HD21 . 18414 1 388 . 1 1 61 61 LEU HD22 H 1 0.704 . . . . . . . 61 LEU HD22 . 18414 1 389 . 1 1 61 61 LEU HD23 H 1 0.704 . . . . . . . 61 LEU HD23 . 18414 1 390 . 1 1 61 61 LEU C C 13 176.147 0 . 1 . . . . 61 LEU C . 18414 1 391 . 1 1 61 61 LEU CA C 13 54.837 0.054 . 1 . . . . 61 LEU CA . 18414 1 392 . 1 1 61 61 LEU CB C 13 42.981 0.069 . 1 . . . . 61 LEU CB . 18414 1 393 . 1 1 61 61 LEU CD1 C 13 25.590 . . . . . . . 61 LEU CD1 . 18414 1 394 . 1 1 61 61 LEU CD2 C 13 23.963 . . . . . . . 61 LEU CD2 . 18414 1 395 . 1 1 61 61 LEU N N 15 116.934 0.104 . 1 . . . . 61 LEU N . 18414 1 396 . 1 1 62 62 ASN H H 1 7.974 0.01 . 1 . . . . 62 ASN H . 18414 1 397 . 1 1 62 62 ASN C C 13 174.303 0 . 1 . . . . 62 ASN C . 18414 1 398 . 1 1 62 62 ASN CA C 13 54.26 0.09 . 1 . . . . 62 ASN CA . 18414 1 399 . 1 1 62 62 ASN CB C 13 37.239 0.193 . 1 . . . . 62 ASN CB . 18414 1 400 . 1 1 62 62 ASN N N 15 116.63 0.155 . 1 . . . . 62 ASN N . 18414 1 401 . 1 1 63 63 VAL H H 1 7.674 0.004 . 1 . . . . 63 VAL H . 18414 1 402 . 1 1 63 63 VAL HG11 H 1 0.630 . . . . . . . 63 VAL HG11 . 18414 1 403 . 1 1 63 63 VAL HG12 H 1 0.630 . . . . . . . 63 VAL HG12 . 18414 1 404 . 1 1 63 63 VAL HG13 H 1 0.630 . . . . . . . 63 VAL HG13 . 18414 1 405 . 1 1 63 63 VAL HG21 H 1 0.656 . . . . . . . 63 VAL HG21 . 18414 1 406 . 1 1 63 63 VAL HG22 H 1 0.656 . . . . . . . 63 VAL HG22 . 18414 1 407 . 1 1 63 63 VAL HG23 H 1 0.656 . . . . . . . 63 VAL HG23 . 18414 1 408 . 1 1 63 63 VAL C C 13 174.597 0 . 1 . . . . 63 VAL C . 18414 1 409 . 1 1 63 63 VAL CA C 13 58.496 0.044 . 1 . . . . 63 VAL CA . 18414 1 410 . 1 1 63 63 VAL CB C 13 34.529 0.015 . 1 . . . . 63 VAL CB . 18414 1 411 . 1 1 63 63 VAL CG1 C 13 20.851 . . . . . . . 63 VAL CG1 . 18414 1 412 . 1 1 63 63 VAL CG2 C 13 19.141 . . . . . . . 63 VAL CG2 . 18414 1 413 . 1 1 63 63 VAL N N 15 109.414 0.073 . 1 . . . . 63 VAL N . 18414 1 414 . 1 1 64 64 SER H H 1 8.24 0.005 . 1 . . . . 64 SER H . 18414 1 415 . 1 1 64 64 SER C C 13 175.433 0 . 1 . . . . 64 SER C . 18414 1 416 . 1 1 64 64 SER CA C 13 57.27 0.002 . 1 . . . . 64 SER CA . 18414 1 417 . 1 1 64 64 SER CB C 13 64.191 0.026 . 1 . . . . 64 SER CB . 18414 1 418 . 1 1 64 64 SER N N 15 114.9 0.23 . 1 . . . . 64 SER N . 18414 1 419 . 1 1 65 65 GLN H H 1 8.943 0.005 . 1 . . . . 65 GLN H . 18414 1 420 . 1 1 65 65 GLN CA C 13 59.449 0 . 1 . . . . 65 GLN CA . 18414 1 421 . 1 1 65 65 GLN CB C 13 27.623 0 . 1 . . . . 65 GLN CB . 18414 1 422 . 1 1 65 65 GLN N N 15 120.578 0.072 . 1 . . . . 65 GLN N . 18414 1 423 . 1 1 66 66 ALA C C 13 180.094 0 . 1 . . . . 66 ALA C . 18414 1 424 . 1 1 66 66 ALA CA C 13 54.973 0 . 1 . . . . 66 ALA CA . 18414 1 425 . 1 1 66 66 ALA CB C 13 17.343 0.043 . 1 . . . . 66 ALA CB . 18414 1 426 . 1 1 67 67 ALA H H 1 7.902 0.006 . 1 . . . . 67 ALA H . 18414 1 427 . 1 1 67 67 ALA C C 13 181.651 0 . 1 . . . . 67 ALA C . 18414 1 428 . 1 1 67 67 ALA CA C 13 54.594 0.054 . 1 . . . . 67 ALA CA . 18414 1 429 . 1 1 67 67 ALA CB C 13 16.828 0.062 . 1 . . . . 67 ALA CB . 18414 1 430 . 1 1 67 67 ALA N N 15 121.999 0.078 . 1 . . . . 67 ALA N . 18414 1 431 . 1 1 68 68 VAL H H 1 7.866 0.011 . 1 . . . . 68 VAL H . 18414 1 432 . 1 1 68 68 VAL HG11 H 1 0.558 . . . . . . . 68 VAL HG11 . 18414 1 433 . 1 1 68 68 VAL HG12 H 1 0.558 . . . . . . . 68 VAL HG12 . 18414 1 434 . 1 1 68 68 VAL HG13 H 1 0.558 . . . . . . . 68 VAL HG13 . 18414 1 435 . 1 1 68 68 VAL HG21 H 1 0.814 . . . . . . . 68 VAL HG21 . 18414 1 436 . 1 1 68 68 VAL HG22 H 1 0.814 . . . . . . . 68 VAL HG22 . 18414 1 437 . 1 1 68 68 VAL HG23 H 1 0.814 . . . . . . . 68 VAL HG23 . 18414 1 438 . 1 1 68 68 VAL C C 13 177.034 0 . 1 . . . . 68 VAL C . 18414 1 439 . 1 1 68 68 VAL CA C 13 66.531 0.086 . 1 . . . . 68 VAL CA . 18414 1 440 . 1 1 68 68 VAL CB C 13 30.505 0.108 . 1 . . . . 68 VAL CB . 18414 1 441 . 1 1 68 68 VAL CG1 C 13 21.270 . . . . . . . 68 VAL CG1 . 18414 1 442 . 1 1 68 68 VAL CG2 C 13 23.915 . . . . . . . 68 VAL CG2 . 18414 1 443 . 1 1 68 68 VAL N N 15 119.848 0.08 . 1 . . . . 68 VAL N . 18414 1 444 . 1 1 69 69 THR H H 1 8.524 0.005 . 1 . . . . 69 THR H . 18414 1 445 . 1 1 69 69 THR C C 13 176.319 0 . 1 . . . . 69 THR C . 18414 1 446 . 1 1 69 69 THR CA C 13 66.75 0.117 . 1 . . . . 69 THR CA . 18414 1 447 . 1 1 69 69 THR CB C 13 68.04 0.063 . 1 . . . . 69 THR CB . 18414 1 448 . 1 1 69 69 THR N N 15 117.656 0.124 . 1 . . . . 69 THR N . 18414 1 449 . 1 1 70 70 LYS H H 1 7.691 0.002 . 1 . . . . 70 LYS H . 18414 1 450 . 1 1 70 70 LYS C C 13 178.8 0 . 1 . . . . 70 LYS C . 18414 1 451 . 1 1 70 70 LYS CA C 13 59.444 0.017 . 1 . . . . 70 LYS CA . 18414 1 452 . 1 1 70 70 LYS CB C 13 31.614 0.091 . 1 . . . . 70 LYS CB . 18414 1 453 . 1 1 70 70 LYS N N 15 120.453 0.098 . 1 . . . . 70 LYS N . 18414 1 454 . 1 1 71 71 ALA H H 1 7.628 0.003 . 1 . . . . 71 ALA H . 18414 1 455 . 1 1 71 71 ALA C C 13 180.35 0 . 1 . . . . 71 ALA C . 18414 1 456 . 1 1 71 71 ALA CA C 13 54.693 0.045 . 1 . . . . 71 ALA CA . 18414 1 457 . 1 1 71 71 ALA CB C 13 17.668 0.06 . 1 . . . . 71 ALA CB . 18414 1 458 . 1 1 71 71 ALA N N 15 121.923 0.084 . 1 . . . . 71 ALA N . 18414 1 459 . 1 1 72 72 ILE H H 1 8.733 0.002 . 1 . . . . 72 ILE H . 18414 1 460 . 1 1 72 72 ILE HD11 H 1 0.286 . . . . . . . 72 ILE HD11 . 18414 1 461 . 1 1 72 72 ILE HD12 H 1 0.286 . . . . . . . 72 ILE HD12 . 18414 1 462 . 1 1 72 72 ILE HD13 H 1 0.286 . . . . . . . 72 ILE HD13 . 18414 1 463 . 1 1 72 72 ILE C C 13 177.545 0 . 1 . . . . 72 ILE C . 18414 1 464 . 1 1 72 72 ILE CA C 13 63.89 0.024 . 1 . . . . 72 ILE CA . 18414 1 465 . 1 1 72 72 ILE CB C 13 35.983 0.072 . 1 . . . . 72 ILE CB . 18414 1 466 . 1 1 72 72 ILE CD1 C 13 11.614 . . . . . . . 72 ILE CD1 . 18414 1 467 . 1 1 72 72 ILE N N 15 118.882 0.09 . 1 . . . . 72 ILE N . 18414 1 468 . 1 1 73 73 LYS H H 1 8.184 0.005 . 1 . . . . 73 LYS H . 18414 1 469 . 1 1 73 73 LYS C C 13 180.114 0 . 1 . . . . 73 LYS C . 18414 1 470 . 1 1 73 73 LYS CA C 13 59.864 0.055 . 1 . . . . 73 LYS CA . 18414 1 471 . 1 1 73 73 LYS CB C 13 31.118 0.083 . 1 . . . . 73 LYS CB . 18414 1 472 . 1 1 73 73 LYS N N 15 119.217 0.042 . 1 . . . . 73 LYS N . 18414 1 473 . 1 1 74 74 SER H H 1 7.621 0.006 . 1 . . . . 74 SER H . 18414 1 474 . 1 1 74 74 SER C C 13 175.704 0 . 1 . . . . 74 SER C . 18414 1 475 . 1 1 74 74 SER CA C 13 61.362 0.181 . 1 . . . . 74 SER CA . 18414 1 476 . 1 1 74 74 SER CB C 13 61.911 0.003 . 1 . . . . 74 SER CB . 18414 1 477 . 1 1 74 74 SER N N 15 114.008 0.061 . 1 . . . . 74 SER N . 18414 1 478 . 1 1 75 75 LEU H H 1 7.831 0.007 . 1 . . . . 75 LEU H . 18414 1 479 . 1 1 75 75 LEU HD11 H 1 0.736 . . . . . . . 75 LEU HD11 . 18414 1 480 . 1 1 75 75 LEU HD12 H 1 0.736 . . . . . . . 75 LEU HD12 . 18414 1 481 . 1 1 75 75 LEU HD13 H 1 0.736 . . . . . . . 75 LEU HD13 . 18414 1 482 . 1 1 75 75 LEU C C 13 179.531 0 . 1 . . . . 75 LEU C . 18414 1 483 . 1 1 75 75 LEU CA C 13 57.456 0.071 . 1 . . . . 75 LEU CA . 18414 1 484 . 1 1 75 75 LEU CB C 13 41.449 0.174 . 1 . . . . 75 LEU CB . 18414 1 485 . 1 1 75 75 LEU CD1 C 13 23.222 . . . . . . . 75 LEU CD1 . 18414 1 486 . 1 1 75 75 LEU N N 15 121.6 0.064 . 1 . . . . 75 LEU N . 18414 1 487 . 1 1 76 76 VAL H H 1 8.688 0.003 . 1 . . . . 76 VAL H . 18414 1 488 . 1 1 76 76 VAL HG11 H 1 1.027 . . . . . . . 76 VAL HG11 . 18414 1 489 . 1 1 76 76 VAL HG12 H 1 1.027 . . . . . . . 76 VAL HG12 . 18414 1 490 . 1 1 76 76 VAL HG13 H 1 1.027 . . . . . . . 76 VAL HG13 . 18414 1 491 . 1 1 76 76 VAL HG21 H 1 0.929 . . . . . . . 76 VAL HG21 . 18414 1 492 . 1 1 76 76 VAL HG22 H 1 0.929 . . . . . . . 76 VAL HG22 . 18414 1 493 . 1 1 76 76 VAL HG23 H 1 0.929 . . . . . . . 76 VAL HG23 . 18414 1 494 . 1 1 76 76 VAL C C 13 180.477 0 . 1 . . . . 76 VAL C . 18414 1 495 . 1 1 76 76 VAL CA C 13 65.86 0.023 . 1 . . . . 76 VAL CA . 18414 1 496 . 1 1 76 76 VAL CB C 13 31.339 0.017 . 1 . . . . 76 VAL CB . 18414 1 497 . 1 1 76 76 VAL CG1 C 13 20.865 . . . . . . . 76 VAL CG1 . 18414 1 498 . 1 1 76 76 VAL CG2 C 13 22.152 . . . . . . . 76 VAL CG2 . 18414 1 499 . 1 1 76 76 VAL N N 15 121.542 0.103 . 1 . . . . 76 VAL N . 18414 1 500 . 1 1 77 77 LYS H H 1 7.914 0.007 . 1 . . . . 77 LYS H . 18414 1 501 . 1 1 77 77 LYS C C 13 178.439 0 . 1 . . . . 77 LYS C . 18414 1 502 . 1 1 77 77 LYS CA C 13 59.185 0.059 . 1 . . . . 77 LYS CA . 18414 1 503 . 1 1 77 77 LYS CB C 13 31.271 0.142 . 1 . . . . 77 LYS CB . 18414 1 504 . 1 1 77 77 LYS N N 15 122.878 0.064 . 1 . . . . 77 LYS N . 18414 1 505 . 1 1 78 78 GLU H H 1 7.774 0.007 . 1 . . . . 78 GLU H . 18414 1 506 . 1 1 78 78 GLU C C 13 176.356 0 . 1 . . . . 78 GLU C . 18414 1 507 . 1 1 78 78 GLU CA C 13 55.379 0.096 . 1 . . . . 78 GLU CA . 18414 1 508 . 1 1 78 78 GLU CB C 13 29.035 0 . 1 . . . . 78 GLU CB . 18414 1 509 . 1 1 78 78 GLU N N 15 114.405 0.079 . 1 . . . . 78 GLU N . 18414 1 510 . 1 1 79 79 GLY H H 1 7.944 0.006 . 1 . . . . 79 GLY H . 18414 1 511 . 1 1 79 79 GLY C C 13 175.947 0 . 1 . . . . 79 GLY C . 18414 1 512 . 1 1 79 79 GLY CA C 13 45.792 0.146 . 1 . . . . 79 GLY CA . 18414 1 513 . 1 1 79 79 GLY N N 15 105.946 0.072 . 1 . . . . 79 GLY N . 18414 1 514 . 1 1 80 80 MET H H 1 8.29 0.015 . 1 . . . . 80 MET H . 18414 1 515 . 1 1 80 80 MET C C 13 174.335 0 . 1 . . . . 80 MET C . 18414 1 516 . 1 1 80 80 MET CA C 13 55.111 0.1 . 1 . . . . 80 MET CA . 18414 1 517 . 1 1 80 80 MET CB C 13 33.295 0.137 . 1 . . . . 80 MET CB . 18414 1 518 . 1 1 80 80 MET N N 15 115.856 0.146 . 1 . . . . 80 MET N . 18414 1 519 . 1 1 81 81 LEU H H 1 6.769 0.003 . 1 . . . . 81 LEU H . 18414 1 520 . 1 1 81 81 LEU HD21 H 1 0.759 . . . . . . . 81 LEU HD21 . 18414 1 521 . 1 1 81 81 LEU HD22 H 1 0.759 . . . . . . . 81 LEU HD22 . 18414 1 522 . 1 1 81 81 LEU HD23 H 1 0.759 . . . . . . . 81 LEU HD23 . 18414 1 523 . 1 1 81 81 LEU C C 13 175.368 0 . 1 . . . . 81 LEU C . 18414 1 524 . 1 1 81 81 LEU CA C 13 52.171 0.039 . 1 . . . . 81 LEU CA . 18414 1 525 . 1 1 81 81 LEU CB C 13 47.258 0.093 . 1 . . . . 81 LEU CB . 18414 1 526 . 1 1 81 81 LEU CD2 C 13 24.965 . . . . . . . 81 LEU CD2 . 18414 1 527 . 1 1 81 81 LEU N N 15 113.504 0.038 . 1 . . . . 81 LEU N . 18414 1 528 . 1 1 82 82 GLU H H 1 9.093 0.002 . 1 . . . . 82 GLU H . 18414 1 529 . 1 1 82 82 GLU C C 13 175.361 0 . 1 . . . . 82 GLU C . 18414 1 530 . 1 1 82 82 GLU CA C 13 53.845 0.033 . 1 . . . . 82 GLU CA . 18414 1 531 . 1 1 82 82 GLU CB C 13 32.231 0.157 . 1 . . . . 82 GLU CB . 18414 1 532 . 1 1 82 82 GLU N N 15 119.212 0.075 . 1 . . . . 82 GLU N . 18414 1 533 . 1 1 83 83 THR H H 1 8.469 0.004 . 1 . . . . 83 THR H . 18414 1 534 . 1 1 83 83 THR C C 13 174.641 0 . 1 . . . . 83 THR C . 18414 1 535 . 1 1 83 83 THR CA C 13 60.733 0.029 . 1 . . . . 83 THR CA . 18414 1 536 . 1 1 83 83 THR CB C 13 69.683 0.044 . 1 . . . . 83 THR CB . 18414 1 537 . 1 1 83 83 THR N N 15 113.731 0.043 . 1 . . . . 83 THR N . 18414 1 538 . 1 1 84 84 SER H H 1 8.487 0.004 . 1 . . . . 84 SER H . 18414 1 539 . 1 1 84 84 SER C C 13 174.148 0 . 1 . . . . 84 SER C . 18414 1 540 . 1 1 84 84 SER CA C 13 57.222 0.024 . 1 . . . . 84 SER CA . 18414 1 541 . 1 1 84 84 SER CB C 13 63.86 0.187 . 1 . . . . 84 SER CB . 18414 1 542 . 1 1 84 84 SER N N 15 117.573 0.049 . 1 . . . . 84 SER N . 18414 1 543 . 1 1 85 85 LYS H H 1 8.425 0.004 . 1 . . . . 85 LYS H . 18414 1 544 . 1 1 85 85 LYS C C 13 176.619 0 . 1 . . . . 85 LYS C . 18414 1 545 . 1 1 85 85 LYS CA C 13 55.74 0.009 . 1 . . . . 85 LYS CA . 18414 1 546 . 1 1 85 85 LYS CB C 13 32.494 0.057 . 1 . . . . 85 LYS CB . 18414 1 547 . 1 1 85 85 LYS N N 15 122.826 0.054 . 1 . . . . 85 LYS N . 18414 1 548 . 1 1 86 86 ASP H H 1 8.362 0.004 . 1 . . . . 86 ASP H . 18414 1 549 . 1 1 86 86 ASP C C 13 176.44 0 . 1 . . . . 86 ASP C . 18414 1 550 . 1 1 86 86 ASP CA C 13 54.374 0.008 . 1 . . . . 86 ASP CA . 18414 1 551 . 1 1 86 86 ASP CB C 13 41.519 0.082 . 1 . . . . 86 ASP CB . 18414 1 552 . 1 1 86 86 ASP N N 15 121.596 0.056 . 1 . . . . 86 ASP N . 18414 1 553 . 1 1 87 87 SER H H 1 8.111 0.003 . 1 . . . . 87 SER H . 18414 1 554 . 1 1 87 87 SER C C 13 175.031 0 . 1 . . . . 87 SER C . 18414 1 555 . 1 1 87 87 SER CA C 13 59.108 0.045 . 1 . . . . 87 SER CA . 18414 1 556 . 1 1 87 87 SER CB C 13 62.959 0.027 . 1 . . . . 87 SER CB . 18414 1 557 . 1 1 87 87 SER N N 15 117.137 0.033 . 1 . . . . 87 SER N . 18414 1 558 . 1 1 88 88 LYS H H 1 8.382 0.003 . 1 . . . . 88 LYS H . 18414 1 559 . 1 1 88 88 LYS C C 13 176.536 0 . 1 . . . . 88 LYS C . 18414 1 560 . 1 1 88 88 LYS CA C 13 56.874 0.01 . 1 . . . . 88 LYS CA . 18414 1 561 . 1 1 88 88 LYS CB C 13 31.806 0.084 . 1 . . . . 88 LYS CB . 18414 1 562 . 1 1 88 88 LYS N N 15 122.033 0.046 . 1 . . . . 88 LYS N . 18414 1 563 . 1 1 89 89 ASP H H 1 8.078 0.005 . 1 . . . . 89 ASP H . 18414 1 564 . 1 1 89 89 ASP C C 13 175.43 0 . 1 . . . . 89 ASP C . 18414 1 565 . 1 1 89 89 ASP CA C 13 53.447 0.003 . 1 . . . . 89 ASP CA . 18414 1 566 . 1 1 89 89 ASP CB C 13 41.019 0.043 . 1 . . . . 89 ASP CB . 18414 1 567 . 1 1 89 89 ASP N N 15 119.15 0.061 . 1 . . . . 89 ASP N . 18414 1 568 . 1 1 90 90 ALA H H 1 8.245 0.003 . 1 . . . . 90 ALA H . 18414 1 569 . 1 1 90 90 ALA C C 13 177.579 0 . 1 . . . . 90 ALA C . 18414 1 570 . 1 1 90 90 ALA CA C 13 53.083 0.056 . 1 . . . . 90 ALA CA . 18414 1 571 . 1 1 90 90 ALA CB C 13 18.211 0.065 . 1 . . . . 90 ALA CB . 18414 1 572 . 1 1 90 90 ALA N N 15 124.835 0.025 . 1 . . . . 90 ALA N . 18414 1 573 . 1 1 91 91 ARG H H 1 8.263 0.004 . 1 . . . . 91 ARG H . 18414 1 574 . 1 1 91 91 ARG C C 13 176.744 0 . 1 . . . . 91 ARG C . 18414 1 575 . 1 1 91 91 ARG CA C 13 56.648 0.01 . 1 . . . . 91 ARG CA . 18414 1 576 . 1 1 91 91 ARG CB C 13 29.719 0.094 . 1 . . . . 91 ARG CB . 18414 1 577 . 1 1 91 91 ARG N N 15 115.89 0.038 . 1 . . . . 91 ARG N . 18414 1 578 . 1 1 92 92 VAL H H 1 7.751 0.003 . 1 . . . . 92 VAL H . 18414 1 579 . 1 1 92 92 VAL HG11 H 1 0.663 . . . . . . . 92 VAL HG11 . 18414 1 580 . 1 1 92 92 VAL HG12 H 1 0.663 . . . . . . . 92 VAL HG12 . 18414 1 581 . 1 1 92 92 VAL HG13 H 1 0.663 . . . . . . . 92 VAL HG13 . 18414 1 582 . 1 1 92 92 VAL HG21 H 1 0.806 . . . . . . . 92 VAL HG21 . 18414 1 583 . 1 1 92 92 VAL HG22 H 1 0.806 . . . . . . . 92 VAL HG22 . 18414 1 584 . 1 1 92 92 VAL HG23 H 1 0.806 . . . . . . . 92 VAL HG23 . 18414 1 585 . 1 1 92 92 VAL C C 13 173.897 0 . 1 . . . . 92 VAL C . 18414 1 586 . 1 1 92 92 VAL CA C 13 61.829 0.005 . 1 . . . . 92 VAL CA . 18414 1 587 . 1 1 92 92 VAL CB C 13 31.833 0.117 . 1 . . . . 92 VAL CB . 18414 1 588 . 1 1 92 92 VAL CG1 C 13 21.327 . . . . . . . 92 VAL CG1 . 18414 1 589 . 1 1 92 92 VAL CG2 C 13 20.590 . . . . . . . 92 VAL CG2 . 18414 1 590 . 1 1 92 92 VAL N N 15 119.816 0.04 . 1 . . . . 92 VAL N . 18414 1 591 . 1 1 93 93 ILE H H 1 7.635 0.003 . 1 . . . . 93 ILE H . 18414 1 592 . 1 1 93 93 ILE HD11 H 1 0.717 . . . . . . . 93 ILE HD11 . 18414 1 593 . 1 1 93 93 ILE HD12 H 1 0.717 . . . . . . . 93 ILE HD12 . 18414 1 594 . 1 1 93 93 ILE HD13 H 1 0.717 . . . . . . . 93 ILE HD13 . 18414 1 595 . 1 1 93 93 ILE C C 13 174.712 0 . 1 . . . . 93 ILE C . 18414 1 596 . 1 1 93 93 ILE CA C 13 59.484 0.007 . 1 . . . . 93 ILE CA . 18414 1 597 . 1 1 93 93 ILE CB C 13 38.647 0.032 . 1 . . . . 93 ILE CB . 18414 1 598 . 1 1 93 93 ILE CD1 C 13 12.391 . . . . . . . 93 ILE CD1 . 18414 1 599 . 1 1 93 93 ILE N N 15 124.947 0.048 . 1 . . . . 93 ILE N . 18414 1 600 . 1 1 94 94 PHE H H 1 8.248 0.004 . 1 . . . . 94 PHE H . 18414 1 601 . 1 1 94 94 PHE C C 13 174.362 0 . 1 . . . . 94 PHE C . 18414 1 602 . 1 1 94 94 PHE CA C 13 55.741 0.001 . 1 . . . . 94 PHE CA . 18414 1 603 . 1 1 94 94 PHE CB C 13 40.471 0.051 . 1 . . . . 94 PHE CB . 18414 1 604 . 1 1 94 94 PHE N N 15 123.803 0.067 . 1 . . . . 94 PHE N . 18414 1 605 . 1 1 95 95 TYR H H 1 8.53 0.004 . 1 . . . . 95 TYR H . 18414 1 606 . 1 1 95 95 TYR C C 13 174.912 0 . 1 . . . . 95 TYR C . 18414 1 607 . 1 1 95 95 TYR CA C 13 57.355 0.046 . 1 . . . . 95 TYR CA . 18414 1 608 . 1 1 95 95 TYR CB C 13 41.055 0.159 . 1 . . . . 95 TYR CB . 18414 1 609 . 1 1 95 95 TYR N N 15 118.778 0.032 . 1 . . . . 95 TYR N . 18414 1 610 . 1 1 96 96 GLN H H 1 8.875 0.005 . 1 . . . . 96 GLN H . 18414 1 611 . 1 1 96 96 GLN C C 13 174.688 0 . 1 . . . . 96 GLN C . 18414 1 612 . 1 1 96 96 GLN CA C 13 53.045 0.04 . 1 . . . . 96 GLN CA . 18414 1 613 . 1 1 96 96 GLN CB C 13 31.823 0.067 . 1 . . . . 96 GLN CB . 18414 1 614 . 1 1 96 96 GLN N N 15 117.97 0.058 . 1 . . . . 96 GLN N . 18414 1 615 . 1 1 97 97 LEU H H 1 8.59 0.005 . 1 . . . . 97 LEU H . 18414 1 616 . 1 1 97 97 LEU HD11 H 1 0.836 . . . . . . . 97 LEU HD11 . 18414 1 617 . 1 1 97 97 LEU HD12 H 1 0.836 . . . . . . . 97 LEU HD12 . 18414 1 618 . 1 1 97 97 LEU HD13 H 1 0.836 . . . . . . . 97 LEU HD13 . 18414 1 619 . 1 1 97 97 LEU HD21 H 1 0.826 . . . . . . . 97 LEU HD21 . 18414 1 620 . 1 1 97 97 LEU HD22 H 1 0.826 . . . . . . . 97 LEU HD22 . 18414 1 621 . 1 1 97 97 LEU HD23 H 1 0.826 . . . . . . . 97 LEU HD23 . 18414 1 622 . 1 1 97 97 LEU C C 13 178.365 0 . 1 . . . . 97 LEU C . 18414 1 623 . 1 1 97 97 LEU CA C 13 56.576 0.058 . 1 . . . . 97 LEU CA . 18414 1 624 . 1 1 97 97 LEU CB C 13 41.45 0.147 . 1 . . . . 97 LEU CB . 18414 1 625 . 1 1 97 97 LEU CD1 C 13 24.777 . . . . . . . 97 LEU CD1 . 18414 1 626 . 1 1 97 97 LEU CD2 C 13 25.411 . . . . . . . 97 LEU CD2 . 18414 1 627 . 1 1 97 97 LEU N N 15 122.633 0.043 . 1 . . . . 97 LEU N . 18414 1 628 . 1 1 98 98 THR H H 1 7.272 0.003 . 1 . . . . 98 THR H . 18414 1 629 . 1 1 98 98 THR C C 13 176.142 0 . 1 . . . . 98 THR C . 18414 1 630 . 1 1 98 98 THR CA C 13 59.49 0.023 . 1 . . . . 98 THR CA . 18414 1 631 . 1 1 98 98 THR CB C 13 70.332 0.02 . 1 . . . . 98 THR CB . 18414 1 632 . 1 1 98 98 THR N N 15 110.318 0.055 . 1 . . . . 98 THR N . 18414 1 633 . 1 1 99 99 ASP H H 1 8.777 0.006 . 1 . . . . 99 ASP H . 18414 1 634 . 1 1 99 99 ASP C C 13 179.143 0 . 1 . . . . 99 ASP C . 18414 1 635 . 1 1 99 99 ASP CA C 13 57.414 0.005 . 1 . . . . 99 ASP CA . 18414 1 636 . 1 1 99 99 ASP CB C 13 39.544 0.04 . 1 . . . . 99 ASP CB . 18414 1 637 . 1 1 99 99 ASP N N 15 118.898 0.092 . 1 . . . . 99 ASP N . 18414 1 638 . 1 1 100 100 LEU H H 1 7.713 0.003 . 1 . . . . 100 LEU H . 18414 1 639 . 1 1 100 100 LEU HD11 H 1 0.963 . . . . . . . 100 LEU HD11 . 18414 1 640 . 1 1 100 100 LEU HD12 H 1 0.963 . . . . . . . 100 LEU HD12 . 18414 1 641 . 1 1 100 100 LEU HD13 H 1 0.963 . . . . . . . 100 LEU HD13 . 18414 1 642 . 1 1 100 100 LEU HD21 H 1 0.907 . . . . . . . 100 LEU HD21 . 18414 1 643 . 1 1 100 100 LEU HD22 H 1 0.907 . . . . . . . 100 LEU HD22 . 18414 1 644 . 1 1 100 100 LEU HD23 H 1 0.907 . . . . . . . 100 LEU HD23 . 18414 1 645 . 1 1 100 100 LEU C C 13 177.093 0 . 1 . . . . 100 LEU C . 18414 1 646 . 1 1 100 100 LEU CA C 13 56.557 0.002 . 1 . . . . 100 LEU CA . 18414 1 647 . 1 1 100 100 LEU CB C 13 41.845 0.119 . 1 . . . . 100 LEU CB . 18414 1 648 . 1 1 100 100 LEU CD1 C 13 23.959 . . . . . . . 100 LEU CD1 . 18414 1 649 . 1 1 100 100 LEU CD2 C 13 24.103 . . . . . . . 100 LEU CD2 . 18414 1 650 . 1 1 100 100 LEU N N 15 118.829 0.049 . 1 . . . . 100 LEU N . 18414 1 651 . 1 1 101 101 ALA H H 1 7.111 0.004 . 1 . . . . 101 ALA H . 18414 1 652 . 1 1 101 101 ALA C C 13 179.919 0 . 1 . . . . 101 ALA C . 18414 1 653 . 1 1 101 101 ALA CA C 13 52.444 0.001 . 1 . . . . 101 ALA CA . 18414 1 654 . 1 1 101 101 ALA CB C 13 22.351 0.105 . 1 . . . . 101 ALA CB . 18414 1 655 . 1 1 101 101 ALA N N 15 116.002 0.062 . 1 . . . . 101 ALA N . 18414 1 656 . 1 1 102 102 ARG H H 1 7.468 0.003 . 1 . . . . 102 ARG H . 18414 1 657 . 1 1 102 102 ARG CA C 13 61.715 0 . 1 . . . . 102 ARG CA . 18414 1 658 . 1 1 102 102 ARG CB C 13 26.428 0 . 1 . . . . 102 ARG CB . 18414 1 659 . 1 1 102 102 ARG N N 15 118.238 0.054 . 1 . . . . 102 ARG N . 18414 1 660 . 1 1 103 103 PRO C C 13 179.165 0 . 1 . . . . 103 PRO C . 18414 1 661 . 1 1 103 103 PRO CA C 13 64.842 0 . 1 . . . . 103 PRO CA . 18414 1 662 . 1 1 103 103 PRO CB C 13 30.244 0 . 1 . . . . 103 PRO CB . 18414 1 663 . 1 1 104 104 ILE H H 1 7.043 0.004 . 1 . . . . 104 ILE H . 18414 1 664 . 1 1 104 104 ILE HD11 H 1 0.959 . . . . . . . 104 ILE HD11 . 18414 1 665 . 1 1 104 104 ILE HD12 H 1 0.959 . . . . . . . 104 ILE HD12 . 18414 1 666 . 1 1 104 104 ILE HD13 H 1 0.959 . . . . . . . 104 ILE HD13 . 18414 1 667 . 1 1 104 104 ILE C C 13 176.106 0 . 1 . . . . 104 ILE C . 18414 1 668 . 1 1 104 104 ILE CA C 13 63.757 0 . 1 . . . . 104 ILE CA . 18414 1 669 . 1 1 104 104 ILE CB C 13 37.056 0 . 1 . . . . 104 ILE CB . 18414 1 670 . 1 1 104 104 ILE CD1 C 13 13.940 . . . . . . . 104 ILE CD1 . 18414 1 671 . 1 1 104 104 ILE N N 15 119.6 0.103 . 1 . . . . 104 ILE N . 18414 1 672 . 1 1 105 105 ALA H H 1 8.223 0.006 . 1 . . . . 105 ALA H . 18414 1 673 . 1 1 105 105 ALA C C 13 179.468 0 . 1 . . . . 105 ALA C . 18414 1 674 . 1 1 105 105 ALA CA C 13 54.683 0 . 1 . . . . 105 ALA CA . 18414 1 675 . 1 1 105 105 ALA CB C 13 17.762 0 . 1 . . . . 105 ALA CB . 18414 1 676 . 1 1 105 105 ALA N N 15 118.947 0.072 . 1 . . . . 105 ALA N . 18414 1 677 . 1 1 106 106 GLU H H 1 8.071 0.008 . 1 . . . . 106 GLU H . 18414 1 678 . 1 1 106 106 GLU C C 13 177.88 0 . 1 . . . . 106 GLU C . 18414 1 679 . 1 1 106 106 GLU CA C 13 55.959 0.017 . 1 . . . . 106 GLU CA . 18414 1 680 . 1 1 106 106 GLU CB C 13 27.349 0.068 . 1 . . . . 106 GLU CB . 18414 1 681 . 1 1 106 106 GLU N N 15 120.195 0.146 . 1 . . . . 106 GLU N . 18414 1 682 . 1 1 107 107 GLU H H 1 8.45 0.007 . 1 . . . . 107 GLU H . 18414 1 683 . 1 1 107 107 GLU C C 13 179.164 0 . 1 . . . . 107 GLU C . 18414 1 684 . 1 1 107 107 GLU CB C 13 28.655 0 . 1 . . . . 107 GLU CB . 18414 1 685 . 1 1 107 107 GLU N N 15 122.087 0.112 . 1 . . . . 107 GLU N . 18414 1 686 . 1 1 108 108 HIS H H 1 8.913 0.001 . 1 . . . . 108 HIS H . 18414 1 687 . 1 1 108 108 HIS C C 13 178.676 0 . 1 . . . . 108 HIS C . 18414 1 688 . 1 1 108 108 HIS CA C 13 59.911 0.012 . 1 . . . . 108 HIS CA . 18414 1 689 . 1 1 108 108 HIS CB C 13 27.915 0 . 1 . . . . 108 HIS CB . 18414 1 690 . 1 1 108 108 HIS N N 15 120.899 0.049 . 1 . . . . 108 HIS N . 18414 1 691 . 1 1 109 109 HIS H H 1 8.988 0.005 . 1 . . . . 109 HIS H . 18414 1 692 . 1 1 109 109 HIS C C 13 181.465 0 . 1 . . . . 109 HIS C . 18414 1 693 . 1 1 109 109 HIS CA C 13 58.814 0 . 1 . . . . 109 HIS CA . 18414 1 694 . 1 1 109 109 HIS CB C 13 29.076 0 . 1 . . . . 109 HIS CB . 18414 1 695 . 1 1 109 109 HIS N N 15 118.333 0.189 . 1 . . . . 109 HIS N . 18414 1 696 . 1 1 110 110 HIS H H 1 8.304 0.006 . 1 . . . . 110 HIS H . 18414 1 697 . 1 1 110 110 HIS C C 13 178.212 0 . 1 . . . . 110 HIS C . 18414 1 698 . 1 1 110 110 HIS CA C 13 55.847 0 . 1 . . . . 110 HIS CA . 18414 1 699 . 1 1 110 110 HIS CB C 13 27.957 0.11 . 1 . . . . 110 HIS CB . 18414 1 700 . 1 1 110 110 HIS N N 15 121.634 0.043 . 1 . . . . 110 HIS N . 18414 1 701 . 1 1 111 111 HIS H H 1 8.991 0.012 . 1 . . . . 111 HIS H . 18414 1 702 . 1 1 111 111 HIS C C 13 176.139 0 . 1 . . . . 111 HIS C . 18414 1 703 . 1 1 111 111 HIS CA C 13 58.234 0 . 1 . . . . 111 HIS CA . 18414 1 704 . 1 1 111 111 HIS CB C 13 27.753 0 . 1 . . . . 111 HIS CB . 18414 1 705 . 1 1 111 111 HIS N N 15 120.121 0.087 . 1 . . . . 111 HIS N . 18414 1 706 . 1 1 112 112 HIS H H 1 8.672 0.011 . 1 . . . . 112 HIS H . 18414 1 707 . 1 1 112 112 HIS C C 13 172.109 0 . 1 . . . . 112 HIS C . 18414 1 708 . 1 1 112 112 HIS CA C 13 56.475 0.033 . 1 . . . . 112 HIS CA . 18414 1 709 . 1 1 112 112 HIS CB C 13 28.05 0.024 . 1 . . . . 112 HIS CB . 18414 1 710 . 1 1 112 112 HIS N N 15 115.076 0.134 . 1 . . . . 112 HIS N . 18414 1 711 . 1 1 113 113 GLU H H 1 7.442 0.007 . 1 . . . . 113 GLU H . 18414 1 712 . 1 1 113 113 GLU C C 13 175.178 0 . 1 . . . . 113 GLU C . 18414 1 713 . 1 1 113 113 GLU CA C 13 53.514 0 . 1 . . . . 113 GLU CA . 18414 1 714 . 1 1 113 113 GLU CB C 13 29.743 0 . 1 . . . . 113 GLU CB . 18414 1 715 . 1 1 113 113 GLU N N 15 111.125 0.124 . 1 . . . . 113 GLU N . 18414 1 716 . 1 1 114 114 HIS H H 1 8.458 0.001 . 1 . . . . 114 HIS H . 18414 1 717 . 1 1 114 114 HIS C C 13 179.103 0 . 1 . . . . 114 HIS C . 18414 1 718 . 1 1 114 114 HIS CA C 13 57.526 0.056 . 1 . . . . 114 HIS CA . 18414 1 719 . 1 1 114 114 HIS CB C 13 39.385 0 . 1 . . . . 114 HIS CB . 18414 1 720 . 1 1 114 114 HIS N N 15 118.82 0.002 . 1 . . . . 114 HIS N . 18414 1 721 . 1 1 115 115 THR H H 1 7.767 0.009 . 1 . . . . 115 THR H . 18414 1 722 . 1 1 115 115 THR C C 13 178.853 0 . 1 . . . . 115 THR C . 18414 1 723 . 1 1 115 115 THR CA C 13 65.971 0 . 1 . . . . 115 THR CA . 18414 1 724 . 1 1 115 115 THR CB C 13 68.263 0 . 1 . . . . 115 THR CB . 18414 1 725 . 1 1 115 115 THR N N 15 113.553 0.04 . 1 . . . . 115 THR N . 18414 1 726 . 1 1 116 116 LEU H H 1 7.712 0.003 . 1 . . . . 116 LEU H . 18414 1 727 . 1 1 116 116 LEU HD11 H 1 0.851 . . . . . . . 116 LEU HD11 . 18414 1 728 . 1 1 116 116 LEU HD12 H 1 0.851 . . . . . . . 116 LEU HD12 . 18414 1 729 . 1 1 116 116 LEU HD13 H 1 0.851 . . . . . . . 116 LEU HD13 . 18414 1 730 . 1 1 116 116 LEU HD21 H 1 0.773 . . . . . . . 116 LEU HD21 . 18414 1 731 . 1 1 116 116 LEU HD22 H 1 0.773 . . . . . . . 116 LEU HD22 . 18414 1 732 . 1 1 116 116 LEU HD23 H 1 0.773 . . . . . . . 116 LEU HD23 . 18414 1 733 . 1 1 116 116 LEU CA C 13 57.378 0 . 1 . . . . 116 LEU CA . 18414 1 734 . 1 1 116 116 LEU CB C 13 40.763 0 . 1 . . . . 116 LEU CB . 18414 1 735 . 1 1 116 116 LEU CD1 C 13 24.149 . . . . . . . 116 LEU CD1 . 18414 1 736 . 1 1 116 116 LEU CD2 C 13 26.329 . . . . . . . 116 LEU CD2 . 18414 1 737 . 1 1 116 116 LEU N N 15 120.82 0.063 . 1 . . . . 116 LEU N . 18414 1 738 . 1 1 117 117 LEU HD21 H 1 0.730 . . . . . . . 117 LEU HD21 . 18414 1 739 . 1 1 117 117 LEU HD22 H 1 0.730 . . . . . . . 117 LEU HD22 . 18414 1 740 . 1 1 117 117 LEU HD23 H 1 0.730 . . . . . . . 117 LEU HD23 . 18414 1 741 . 1 1 117 117 LEU C C 13 179.97 0 . 1 . . . . 117 LEU C . 18414 1 742 . 1 1 117 117 LEU CA C 13 57.18 0 . 1 . . . . 117 LEU CA . 18414 1 743 . 1 1 117 117 LEU CB C 13 40.357 0.034 . 1 . . . . 117 LEU CB . 18414 1 744 . 1 1 117 117 LEU CD2 C 13 25.149 . . . . . . . 117 LEU CD2 . 18414 1 745 . 1 1 118 118 THR H H 1 7.631 0.005 . 1 . . . . 118 THR H . 18414 1 746 . 1 1 118 118 THR C C 13 176.482 0 . 1 . . . . 118 THR C . 18414 1 747 . 1 1 118 118 THR CA C 13 66.784 0.045 . 1 . . . . 118 THR CA . 18414 1 748 . 1 1 118 118 THR CB C 13 70.438 0 . 1 . . . . 118 THR CB . 18414 1 749 . 1 1 118 118 THR N N 15 118.601 0.082 . 1 . . . . 118 THR N . 18414 1 750 . 1 1 119 119 TYR H H 1 7.59 0.003 . 1 . . . . 119 TYR H . 18414 1 751 . 1 1 119 119 TYR C C 13 178.578 0 . 1 . . . . 119 TYR C . 18414 1 752 . 1 1 119 119 TYR CA C 13 57.674 0 . 1 . . . . 119 TYR CA . 18414 1 753 . 1 1 119 119 TYR CB C 13 35.204 0 . 1 . . . . 119 TYR CB . 18414 1 754 . 1 1 119 119 TYR N N 15 121.678 0.178 . 1 . . . . 119 TYR N . 18414 1 755 . 1 1 120 120 GLU H H 1 8.529 0.01 . 1 . . . . 120 GLU H . 18414 1 756 . 1 1 120 120 GLU C C 13 177.688 0 . 1 . . . . 120 GLU C . 18414 1 757 . 1 1 120 120 GLU CA C 13 59.493 0 . 1 . . . . 120 GLU CA . 18414 1 758 . 1 1 120 120 GLU CB C 13 28.416 0 . 1 . . . . 120 GLU CB . 18414 1 759 . 1 1 120 120 GLU N N 15 120.971 0.022 . 1 . . . . 120 GLU N . 18414 1 760 . 1 1 121 121 GLN H H 1 7.832 0.005 . 1 . . . . 121 GLN H . 18414 1 761 . 1 1 121 121 GLN C C 13 178.348 0 . 1 . . . . 121 GLN C . 18414 1 762 . 1 1 121 121 GLN CA C 13 58.747 0.166 . 1 . . . . 121 GLN CA . 18414 1 763 . 1 1 121 121 GLN CB C 13 28.287 0.086 . 1 . . . . 121 GLN CB . 18414 1 764 . 1 1 121 121 GLN N N 15 120.578 0.059 . 1 . . . . 121 GLN N . 18414 1 765 . 1 1 122 122 VAL H H 1 8.072 0.006 . 1 . . . . 122 VAL H . 18414 1 766 . 1 1 122 122 VAL HG11 H 1 1.011 . . . . . . . 122 VAL HG11 . 18414 1 767 . 1 1 122 122 VAL HG12 H 1 1.011 . . . . . . . 122 VAL HG12 . 18414 1 768 . 1 1 122 122 VAL HG13 H 1 1.011 . . . . . . . 122 VAL HG13 . 18414 1 769 . 1 1 122 122 VAL HG21 H 1 1.131 . . . . . . . 122 VAL HG21 . 18414 1 770 . 1 1 122 122 VAL HG22 H 1 1.131 . . . . . . . 122 VAL HG22 . 18414 1 771 . 1 1 122 122 VAL HG23 H 1 1.131 . . . . . . . 122 VAL HG23 . 18414 1 772 . 1 1 122 122 VAL C C 13 178.013 0 . 1 . . . . 122 VAL C . 18414 1 773 . 1 1 122 122 VAL CA C 13 66.019 0.019 . 1 . . . . 122 VAL CA . 18414 1 774 . 1 1 122 122 VAL CB C 13 30.745 0.112 . 1 . . . . 122 VAL CB . 18414 1 775 . 1 1 122 122 VAL CG1 C 13 21.460 . . . . . . . 122 VAL CG1 . 18414 1 776 . 1 1 122 122 VAL CG2 C 13 22.799 . . . . . . . 122 VAL CG2 . 18414 1 777 . 1 1 122 122 VAL N N 15 120.092 0.106 . 1 . . . . 122 VAL N . 18414 1 778 . 1 1 123 123 ALA H H 1 8.433 0.009 . 1 . . . . 123 ALA H . 18414 1 779 . 1 1 123 123 ALA C C 13 178.634 0 . 1 . . . . 123 ALA C . 18414 1 780 . 1 1 123 123 ALA CA C 13 55.475 0.038 . 1 . . . . 123 ALA CA . 18414 1 781 . 1 1 123 123 ALA CB C 13 17.943 0.017 . 1 . . . . 123 ALA CB . 18414 1 782 . 1 1 123 123 ALA N N 15 119.717 0.074 . 1 . . . . 123 ALA N . 18414 1 783 . 1 1 124 124 THR H H 1 7.992 0.005 . 1 . . . . 124 THR H . 18414 1 784 . 1 1 124 124 THR C C 13 175.287 0 . 1 . . . . 124 THR C . 18414 1 785 . 1 1 124 124 THR CA C 13 63.86 0.025 . 1 . . . . 124 THR CA . 18414 1 786 . 1 1 124 124 THR CB C 13 68.81 0.097 . 1 . . . . 124 THR CB . 18414 1 787 . 1 1 124 124 THR N N 15 105.479 0.112 . 1 . . . . 124 THR N . 18414 1 788 . 1 1 125 125 GLN H H 1 7.593 0.005 . 1 . . . . 125 GLN H . 18414 1 789 . 1 1 125 125 GLN C C 13 174.368 0 . 1 . . . . 125 GLN C . 18414 1 790 . 1 1 125 125 GLN CA C 13 56.246 0.005 . 1 . . . . 125 GLN CA . 18414 1 791 . 1 1 125 125 GLN CB C 13 27.104 0.009 . 1 . . . . 125 GLN CB . 18414 1 792 . 1 1 125 125 GLN N N 15 118.956 0.078 . 1 . . . . 125 GLN N . 18414 1 793 . 1 1 126 126 PHE H H 1 7.844 0.005 . 1 . . . . 126 PHE H . 18414 1 794 . 1 1 126 126 PHE CA C 13 56.794 0.058 . 1 . . . . 126 PHE CA . 18414 1 795 . 1 1 126 126 PHE CB C 13 39.779 0 . 1 . . . . 126 PHE CB . 18414 1 796 . 1 1 126 126 PHE N N 15 119.003 0.038 . 1 . . . . 126 PHE N . 18414 1 797 . 1 1 127 127 THR H H 1 9.555 0.003 . 1 . . . . 127 THR H . 18414 1 798 . 1 1 127 127 THR CA C 13 60.676 0 . 1 . . . . 127 THR CA . 18414 1 799 . 1 1 127 127 THR CB C 13 67.285 0 . 1 . . . . 127 THR CB . 18414 1 800 . 1 1 127 127 THR N N 15 116.537 0.058 . 1 . . . . 127 THR N . 18414 1 801 . 1 1 128 128 PRO C C 13 177.686 1.769 . 1 . . . . 128 PRO C . 18414 1 802 . 1 1 128 128 PRO CA C 13 66.457 0 . 1 . . . . 128 PRO CA . 18414 1 803 . 1 1 129 129 ASN H H 1 8.562 0.005 . 1 . . . . 129 ASN H . 18414 1 804 . 1 1 129 129 ASN C C 13 178.694 0 . 1 . . . . 129 ASN C . 18414 1 805 . 1 1 129 129 ASN CA C 13 56.033 0.048 . 1 . . . . 129 ASN CA . 18414 1 806 . 1 1 129 129 ASN CB C 13 37.767 0.013 . 1 . . . . 129 ASN CB . 18414 1 807 . 1 1 129 129 ASN N N 15 114.971 0.07 . 1 . . . . 129 ASN N . 18414 1 808 . 1 1 130 130 GLU H H 1 7.87 0.004 . 1 . . . . 130 GLU H . 18414 1 809 . 1 1 130 130 GLU C C 13 179.111 0 . 1 . . . . 130 GLU C . 18414 1 810 . 1 1 130 130 GLU CA C 13 59.064 0.029 . 1 . . . . 130 GLU CA . 18414 1 811 . 1 1 130 130 GLU CB C 13 29.782 0.045 . 1 . . . . 130 GLU CB . 18414 1 812 . 1 1 130 130 GLU N N 15 121.714 0.045 . 1 . . . . 130 GLU N . 18414 1 813 . 1 1 131 131 GLN H H 1 9.073 0.003 . 1 . . . . 131 GLN H . 18414 1 814 . 1 1 131 131 GLN C C 13 177.901 0 . 1 . . . . 131 GLN C . 18414 1 815 . 1 1 131 131 GLN CA C 13 59.311 0.025 . 1 . . . . 131 GLN CA . 18414 1 816 . 1 1 131 131 GLN CB C 13 27.224 0.01 . 1 . . . . 131 GLN CB . 18414 1 817 . 1 1 131 131 GLN N N 15 117.61 0.074 . 1 . . . . 131 GLN N . 18414 1 818 . 1 1 132 132 LYS H H 1 7.378 0.002 . 1 . . . . 132 LYS H . 18414 1 819 . 1 1 132 132 LYS C C 13 179.572 0 . 1 . . . . 132 LYS C . 18414 1 820 . 1 1 132 132 LYS CA C 13 58.985 0.008 . 1 . . . . 132 LYS CA . 18414 1 821 . 1 1 132 132 LYS CB C 13 31.203 0 . 1 . . . . 132 LYS CB . 18414 1 822 . 1 1 132 132 LYS N N 15 117.4 0.096 . 1 . . . . 132 LYS N . 18414 1 823 . 1 1 133 133 VAL H H 1 7.282 0.003 . 1 . . . . 133 VAL H . 18414 1 824 . 1 1 133 133 VAL HG11 H 1 0.780 . . . . . . . 133 VAL HG11 . 18414 1 825 . 1 1 133 133 VAL HG12 H 1 0.780 . . . . . . . 133 VAL HG12 . 18414 1 826 . 1 1 133 133 VAL HG13 H 1 0.780 . . . . . . . 133 VAL HG13 . 18414 1 827 . 1 1 133 133 VAL HG21 H 1 1.236 . . . . . . . 133 VAL HG21 . 18414 1 828 . 1 1 133 133 VAL HG22 H 1 1.236 . . . . . . . 133 VAL HG22 . 18414 1 829 . 1 1 133 133 VAL HG23 H 1 1.236 . . . . . . . 133 VAL HG23 . 18414 1 830 . 1 1 133 133 VAL C C 13 177.417 0 . 1 . . . . 133 VAL C . 18414 1 831 . 1 1 133 133 VAL CA C 13 66.338 0.179 . 1 . . . . 133 VAL CA . 18414 1 832 . 1 1 133 133 VAL CB C 13 31.113 0 . 1 . . . . 133 VAL CB . 18414 1 833 . 1 1 133 133 VAL CG1 C 13 21.576 . . . . . . . 133 VAL CG1 . 18414 1 834 . 1 1 133 133 VAL CG2 C 13 22.938 . . . . . . . 133 VAL CG2 . 18414 1 835 . 1 1 133 133 VAL N N 15 120.957 0.049 . 1 . . . . 133 VAL N . 18414 1 836 . 1 1 134 134 ILE H H 1 7.664 0.008 . 1 . . . . 134 ILE H . 18414 1 837 . 1 1 134 134 ILE HD11 H 1 -0.437 . . . . . . . 134 ILE HD11 . 18414 1 838 . 1 1 134 134 ILE HD12 H 1 -0.437 . . . . . . . 134 ILE HD12 . 18414 1 839 . 1 1 134 134 ILE HD13 H 1 -0.437 . . . . . . . 134 ILE HD13 . 18414 1 840 . 1 1 134 134 ILE C C 13 177.435 0 . 1 . . . . 134 ILE C . 18414 1 841 . 1 1 134 134 ILE CA C 13 64.781 0.034 . 1 . . . . 134 ILE CA . 18414 1 842 . 1 1 134 134 ILE CB C 13 35.98 0.126 . 1 . . . . 134 ILE CB . 18414 1 843 . 1 1 134 134 ILE CD1 C 13 12.130 . . . . . . . 134 ILE CD1 . 18414 1 844 . 1 1 134 134 ILE N N 15 118.903 0.126 . 1 . . . . 134 ILE N . 18414 1 845 . 1 1 135 135 GLN H H 1 8.346 0.007 . 1 . . . . 135 GLN H . 18414 1 846 . 1 1 135 135 GLN C C 13 178.533 0 . 1 . . . . 135 GLN C . 18414 1 847 . 1 1 135 135 GLN CA C 13 59.628 0 . 1 . . . . 135 GLN CA . 18414 1 848 . 1 1 135 135 GLN CB C 13 28.88 0.151 . 1 . . . . 135 GLN CB . 18414 1 849 . 1 1 135 135 GLN N N 15 118.292 0.179 . 1 . . . . 135 GLN N . 18414 1 850 . 1 1 136 136 ARG H H 1 8.131 0.005 . 1 . . . . 136 ARG H . 18414 1 851 . 1 1 136 136 ARG C C 13 178.653 0 . 1 . . . . 136 ARG C . 18414 1 852 . 1 1 136 136 ARG CA C 13 60.213 0 . 1 . . . . 136 ARG CA . 18414 1 853 . 1 1 136 136 ARG CB C 13 26.899 0 . 1 . . . . 136 ARG CB . 18414 1 854 . 1 1 136 136 ARG N N 15 122.91 0.016 . 1 . . . . 136 ARG N . 18414 1 855 . 1 1 137 137 PHE H H 1 7.934 0.003 . 1 . . . . 137 PHE H . 18414 1 856 . 1 1 137 137 PHE C C 13 179.832 0 . 1 . . . . 137 PHE C . 18414 1 857 . 1 1 137 137 PHE CA C 13 59.328 0.068 . 1 . . . . 137 PHE CA . 18414 1 858 . 1 1 137 137 PHE CB C 13 29.997 0.085 . 1 . . . . 137 PHE CB . 18414 1 859 . 1 1 137 137 PHE N N 15 119.817 0.047 . 1 . . . . 137 PHE N . 18414 1 860 . 1 1 138 138 LEU H H 1 8.46 0.006 . 1 . . . . 138 LEU H . 18414 1 861 . 1 1 138 138 LEU CA C 13 56.586 0.075 . 1 . . . . 138 LEU CA . 18414 1 862 . 1 1 138 138 LEU CB C 13 39.7 0.024 . 1 . . . . 138 LEU CB . 18414 1 863 . 1 1 138 138 LEU N N 15 122.346 0.176 . 1 . . . . 138 LEU N . 18414 1 864 . 1 1 139 139 THR H H 1 7.799 0.01 . 1 . . . . 139 THR H . 18414 1 865 . 1 1 139 139 THR C C 13 176.723 0 . 1 . . . . 139 THR C . 18414 1 866 . 1 1 139 139 THR CA C 13 65.92 0.085 . 1 . . . . 139 THR CA . 18414 1 867 . 1 1 139 139 THR CB C 13 68.284 0.068 . 1 . . . . 139 THR CB . 18414 1 868 . 1 1 139 139 THR N N 15 119.285 0.123 . 1 . . . . 139 THR N . 18414 1 869 . 1 1 140 140 ALA H H 1 8.121 0.005 . 1 . . . . 140 ALA H . 18414 1 870 . 1 1 140 140 ALA C C 13 180.112 0 . 1 . . . . 140 ALA C . 18414 1 871 . 1 1 140 140 ALA CA C 13 54.293 0.068 . 1 . . . . 140 ALA CA . 18414 1 872 . 1 1 140 140 ALA CB C 13 17.804 0.039 . 1 . . . . 140 ALA CB . 18414 1 873 . 1 1 140 140 ALA N N 15 124.623 0.051 . 1 . . . . 140 ALA N . 18414 1 874 . 1 1 141 141 LEU H H 1 8.401 0.005 . 1 . . . . 141 LEU H . 18414 1 875 . 1 1 141 141 LEU HD11 H 1 0.883 . . . . . . . 141 LEU HD11 . 18414 1 876 . 1 1 141 141 LEU HD12 H 1 0.883 . . . . . . . 141 LEU HD12 . 18414 1 877 . 1 1 141 141 LEU HD13 H 1 0.883 . . . . . . . 141 LEU HD13 . 18414 1 878 . 1 1 141 141 LEU HD21 H 1 0.702 . . . . . . . 141 LEU HD21 . 18414 1 879 . 1 1 141 141 LEU HD22 H 1 0.702 . . . . . . . 141 LEU HD22 . 18414 1 880 . 1 1 141 141 LEU HD23 H 1 0.702 . . . . . . . 141 LEU HD23 . 18414 1 881 . 1 1 141 141 LEU C C 13 178.769 0 . 1 . . . . 141 LEU C . 18414 1 882 . 1 1 141 141 LEU CA C 13 57.379 0 . 1 . . . . 141 LEU CA . 18414 1 883 . 1 1 141 141 LEU CB C 13 40.57 0 . 1 . . . . 141 LEU CB . 18414 1 884 . 1 1 141 141 LEU CD1 C 13 24.579 . . . . . . . 141 LEU CD1 . 18414 1 885 . 1 1 141 141 LEU CD2 C 13 27.187 . . . . . . . 141 LEU CD2 . 18414 1 886 . 1 1 141 141 LEU N N 15 117.383 0.111 . 1 . . . . 141 LEU N . 18414 1 887 . 1 1 142 142 VAL H H 1 7.814 0 . 1 . . . . 142 VAL H . 18414 1 888 . 1 1 142 142 VAL HG11 H 1 0.354 . . . . . . . 142 VAL HG11 . 18414 1 889 . 1 1 142 142 VAL HG12 H 1 0.354 . . . . . . . 142 VAL HG12 . 18414 1 890 . 1 1 142 142 VAL HG13 H 1 0.354 . . . . . . . 142 VAL HG13 . 18414 1 891 . 1 1 142 142 VAL HG21 H 1 0.931 . . . . . . . 142 VAL HG21 . 18414 1 892 . 1 1 142 142 VAL HG22 H 1 0.931 . . . . . . . 142 VAL HG22 . 18414 1 893 . 1 1 142 142 VAL HG23 H 1 0.931 . . . . . . . 142 VAL HG23 . 18414 1 894 . 1 1 142 142 VAL C C 13 177.564 0 . 1 . . . . 142 VAL C . 18414 1 895 . 1 1 142 142 VAL CA C 13 66.213 0.076 . 1 . . . . 142 VAL CA . 18414 1 896 . 1 1 142 142 VAL CB C 13 30.612 0.071 . 1 . . . . 142 VAL CB . 18414 1 897 . 1 1 142 142 VAL CG1 C 13 22.490 . . . . . . . 142 VAL CG1 . 18414 1 898 . 1 1 142 142 VAL CG2 C 13 22.803 . . . . . . . 142 VAL CG2 . 18414 1 899 . 1 1 142 142 VAL N N 15 118.53 0.036 . 1 . . . . 142 VAL N . 18414 1 900 . 1 1 143 143 GLY H H 1 7.5 0.005 . 1 . . . . 143 GLY H . 18414 1 901 . 1 1 143 143 GLY C C 13 175.098 0 . 1 . . . . 143 GLY C . 18414 1 902 . 1 1 143 143 GLY CA C 13 46.065 0.062 . 1 . . . . 143 GLY CA . 18414 1 903 . 1 1 143 143 GLY N N 15 104.777 0.116 . 1 . . . . 143 GLY N . 18414 1 904 . 1 1 144 144 GLU H H 1 7.414 0.005 . 1 . . . . 144 GLU H . 18414 1 905 . 1 1 144 144 GLU C C 13 177.46 0 . 1 . . . . 144 GLU C . 18414 1 906 . 1 1 144 144 GLU CA C 13 55.377 0.013 . 1 . . . . 144 GLU CA . 18414 1 907 . 1 1 144 144 GLU CB C 13 29.186 0.095 . 1 . . . . 144 GLU CB . 18414 1 908 . 1 1 144 144 GLU N N 15 115.41 0.169 . 1 . . . . 144 GLU N . 18414 1 909 . 1 1 145 145 ILE H H 1 7.379 0.009 . 1 . . . . 145 ILE H . 18414 1 910 . 1 1 145 145 ILE HD11 H 1 0.728 . . . . . . . 145 ILE HD11 . 18414 1 911 . 1 1 145 145 ILE HD12 H 1 0.728 . . . . . . . 145 ILE HD12 . 18414 1 912 . 1 1 145 145 ILE HD13 H 1 0.728 . . . . . . . 145 ILE HD13 . 18414 1 913 . 1 1 145 145 ILE C C 13 174.262 0 . 1 . . . . 145 ILE C . 18414 1 914 . 1 1 145 145 ILE CA C 13 62.227 0.033 . 1 . . . . 145 ILE CA . 18414 1 915 . 1 1 145 145 ILE CB C 13 37.488 0.048 . 1 . . . . 145 ILE CB . 18414 1 916 . 1 1 145 145 ILE CD1 C 13 13.750 . . . . . . . 145 ILE CD1 . 18414 1 917 . 1 1 145 145 ILE N N 15 115.906 0.043 . 1 . . . . 145 ILE N . 18414 1 918 . 1 1 146 146 LYS H H 1 7.337 0.006 . 1 . . . . 146 LYS H . 18414 1 919 . 1 1 146 146 LYS CA C 13 57.232 0 . 1 . . . . 146 LYS CA . 18414 1 920 . 1 1 146 146 LYS CB C 13 32.702 0 . 1 . . . . 146 LYS CB . 18414 1 921 . 1 1 146 146 LYS N N 15 125.393 0.062 . 1 . . . . 146 LYS N . 18414 1 stop_ save_