data_16039 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16039 _Entry.Title ; NMR structure of the unphosphorylated form of OdhI, OdhI. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-20 _Entry.Accession_date 2008-11-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Philippe Barthe . PB. . 16039 2 Christian Roumestand . CR. . 16039 3 Marc Canova . MC. . 16039 4 Corinne Hurard . CH. . 16039 5 Virginie Molle . VM. . 16039 6 Martin Cohen-Gonsaud . MCG. . 16039 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FHA . 16039 'Forkhead-associated domain' . 16039 GarA . 16039 'Kinase substrate' . 16039 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16039 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 145 16039 '1H chemical shifts' 970 16039 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 . . 2010-06-02 2008-11-20 update BMRB 'edit assembly name' 16039 1 . . 2009-04-29 2008-11-20 original author 'original release' 16039 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16038 'NMR Structure of the phosphorylated form of OdhI, pOdhI.' 16039 PDB 2KB4 'BMRB Entry Tracking System' 16039 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16039 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19368890 _Citation.Full_citation . _Citation.Title 'Dynamic and Structural Characterization of a Bacterial FHA Protein Reveals a New Autoinhibition Mechanism' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 4 _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 568 _Citation.Page_last 578 _Citation.Year 2009 _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 Philippe Barthe . . . 16039 1 2 Christian Roumestand . . . 16039 1 3 Marc Canova . J. . 16039 1 4 Laurent Kremer . . . 16039 1 5 Corinne Hurard . . . 16039 1 6 Virginie Molle . . . 16039 1 7 Martin Cohen-Gonsaud . . . 16039 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FHA 16039 1 'Forkhead-associated domain' 16039 1 GarA 16039 1 'Kinase substrate' 16039 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16039 _Assembly.ID 1 _Assembly.Name OdhI _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OdhI 1 $OdhI A . yes native no no . . . 16039 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OdhI _Entity.Sf_category entity _Entity.Sf_framecode OdhI _Entity.Entry_ID 16039 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OdhI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDNNGTPEPQVETTSVFRA DLLKEMESSTGTAPASTGAE NLPAGSALLVVKRGPNAGAR FLLDQPTTTAGRHPESDIFL DDVTVSRRHAEFRINEGEFE VVDVGSLNGTYVNREPRNAQ VMQTGDEIQIGKFRLVFLAG PAE ; _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15700.225 _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 16038 . pOdhI . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16039 1 2 no PDB 2KB3 . "Nmr Structure Of The Phosphorylated Form Of Odhi, Podhi" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16039 1 3 no PDB 2KB4 . "Nmr Structure Of The Unphosphorylated Form Of Odhi, Odhi." . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 4 no PDB 4QCJ . "Crystal Structure Of Odhi From Corynebacterium Glutamicum" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 5 no DBJ BAB98834 . "FHA-domain-containing proteins [Corynebacterium glutamicum ATCC 13032]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 6 no DBJ BAF54493 . "hypothetical protein cgR_1501 [Corynebacterium glutamicum R]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 7 no EMBL CAF21450 . "PUTATIVE SIGNAL TRANSDUCTION PROTEIN, FHA DOMAIN [Corynebacterium glutamicum ATCC 13032]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 8 no EMBL CCH24605 . "signal transduction protein, FHA-domain-containing protein [Corynebacterium glutamicum K051]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 9 no GB AGG66772 . "hypothetical protein H924_06640 [Corynebacterium callunae DSM 20147]" . . . . . 100.00 143 97.20 98.60 9.38e-95 . . . . 16039 1 10 no GB AGN19176 . "hypothetical protein C624_07995 [Corynebacterium glutamicum SCgG1]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 11 no GB AGN22201 . "hypothetical protein C629_08005 [Corynebacterium glutamicum SCgG2]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 12 no GB AGT05407 . "putative signal transduction FHA-domain protein [Corynebacterium glutamicum MB001]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 13 no GB AIK85116 . "oxoglutarate dehydrogenase inhibitor [Corynebacterium glutamicum]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 14 no REF NP_600658 . "FHA-domain-containing protein [Corynebacterium glutamicum ATCC 13032]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 15 no REF WP_003856253 . "MULTISPECIES: oxoglutarate dehydrogenase inhibitor [Corynebacterium]" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 1 16 no REF WP_015651203 . "FHA domain-containing protein [Corynebacterium callunae]" . . . . . 100.00 143 97.20 98.60 9.38e-95 . . . . 16039 1 17 no SP Q8NQJ3 . "RecName: Full=Oxoglutarate dehydrogenase inhibitor" . . . . . 100.00 143 100.00 100.00 9.84e-98 . . . . 16039 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 . 16039 1 2 . SER . 16039 1 3 . ASP . 16039 1 4 . ASN . 16039 1 5 . ASN . 16039 1 6 . GLY . 16039 1 7 . THR . 16039 1 8 . PRO . 16039 1 9 . GLU . 16039 1 10 . PRO . 16039 1 11 . GLN . 16039 1 12 . VAL . 16039 1 13 . GLU . 16039 1 14 . THR . 16039 1 15 . THR . 16039 1 16 . SER . 16039 1 17 . VAL . 16039 1 18 . PHE . 16039 1 19 . ARG . 16039 1 20 . ALA . 16039 1 21 . ASP . 16039 1 22 . LEU . 16039 1 23 . LEU . 16039 1 24 . LYS . 16039 1 25 . GLU . 16039 1 26 . MET . 16039 1 27 . GLU . 16039 1 28 . SER . 16039 1 29 . SER . 16039 1 30 . THR . 16039 1 31 . GLY . 16039 1 32 . THR . 16039 1 33 . ALA . 16039 1 34 . PRO . 16039 1 35 . ALA . 16039 1 36 . SER . 16039 1 37 . THR . 16039 1 38 . GLY . 16039 1 39 . ALA . 16039 1 40 . GLU . 16039 1 41 . ASN . 16039 1 42 . LEU . 16039 1 43 . PRO . 16039 1 44 . ALA . 16039 1 45 . GLY . 16039 1 46 . SER . 16039 1 47 . ALA . 16039 1 48 . LEU . 16039 1 49 . LEU . 16039 1 50 . VAL . 16039 1 51 . VAL . 16039 1 52 . LYS . 16039 1 53 . ARG . 16039 1 54 . GLY . 16039 1 55 . PRO . 16039 1 56 . ASN . 16039 1 57 . ALA . 16039 1 58 . GLY . 16039 1 59 . ALA . 16039 1 60 . ARG . 16039 1 61 . PHE . 16039 1 62 . LEU . 16039 1 63 . LEU . 16039 1 64 . ASP . 16039 1 65 . GLN . 16039 1 66 . PRO . 16039 1 67 . THR . 16039 1 68 . THR . 16039 1 69 . THR . 16039 1 70 . ALA . 16039 1 71 . GLY . 16039 1 72 . ARG . 16039 1 73 . HIS . 16039 1 74 . PRO . 16039 1 75 . GLU . 16039 1 76 . SER . 16039 1 77 . ASP . 16039 1 78 . ILE . 16039 1 79 . PHE . 16039 1 80 . LEU . 16039 1 81 . ASP . 16039 1 82 . ASP . 16039 1 83 . VAL . 16039 1 84 . THR . 16039 1 85 . VAL . 16039 1 86 . SER . 16039 1 87 . ARG . 16039 1 88 . ARG . 16039 1 89 . HIS . 16039 1 90 . ALA . 16039 1 91 . GLU . 16039 1 92 . PHE . 16039 1 93 . ARG . 16039 1 94 . ILE . 16039 1 95 . ASN . 16039 1 96 . GLU . 16039 1 97 . GLY . 16039 1 98 . GLU . 16039 1 99 . PHE . 16039 1 100 . GLU . 16039 1 101 . VAL . 16039 1 102 . VAL . 16039 1 103 . ASP . 16039 1 104 . VAL . 16039 1 105 . GLY . 16039 1 106 . SER . 16039 1 107 . LEU . 16039 1 108 . ASN . 16039 1 109 . GLY . 16039 1 110 . THR . 16039 1 111 . TYR . 16039 1 112 . VAL . 16039 1 113 . ASN . 16039 1 114 . ARG . 16039 1 115 . GLU . 16039 1 116 . PRO . 16039 1 117 . ARG . 16039 1 118 . ASN . 16039 1 119 . ALA . 16039 1 120 . GLN . 16039 1 121 . VAL . 16039 1 122 . MET . 16039 1 123 . GLN . 16039 1 124 . THR . 16039 1 125 . GLY . 16039 1 126 . ASP . 16039 1 127 . GLU . 16039 1 128 . ILE . 16039 1 129 . GLN . 16039 1 130 . ILE . 16039 1 131 . GLY . 16039 1 132 . LYS . 16039 1 133 . PHE . 16039 1 134 . ARG . 16039 1 135 . LEU . 16039 1 136 . VAL . 16039 1 137 . PHE . 16039 1 138 . LEU . 16039 1 139 . ALA . 16039 1 140 . GLY . 16039 1 141 . PRO . 16039 1 142 . ALA . 16039 1 143 . GLU . 16039 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 16039 1 . SER 2 2 16039 1 . ASP 3 3 16039 1 . ASN 4 4 16039 1 . ASN 5 5 16039 1 . GLY 6 6 16039 1 . THR 7 7 16039 1 . PRO 8 8 16039 1 . GLU 9 9 16039 1 . PRO 10 10 16039 1 . GLN 11 11 16039 1 . VAL 12 12 16039 1 . GLU 13 13 16039 1 . THR 14 14 16039 1 . THR 15 15 16039 1 . SER 16 16 16039 1 . VAL 17 17 16039 1 . PHE 18 18 16039 1 . ARG 19 19 16039 1 . ALA 20 20 16039 1 . ASP 21 21 16039 1 . LEU 22 22 16039 1 . LEU 23 23 16039 1 . LYS 24 24 16039 1 . GLU 25 25 16039 1 . MET 26 26 16039 1 . GLU 27 27 16039 1 . SER 28 28 16039 1 . SER 29 29 16039 1 . THR 30 30 16039 1 . GLY 31 31 16039 1 . THR 32 32 16039 1 . ALA 33 33 16039 1 . PRO 34 34 16039 1 . ALA 35 35 16039 1 . SER 36 36 16039 1 . THR 37 37 16039 1 . GLY 38 38 16039 1 . ALA 39 39 16039 1 . GLU 40 40 16039 1 . ASN 41 41 16039 1 . LEU 42 42 16039 1 . PRO 43 43 16039 1 . ALA 44 44 16039 1 . GLY 45 45 16039 1 . SER 46 46 16039 1 . ALA 47 47 16039 1 . LEU 48 48 16039 1 . LEU 49 49 16039 1 . VAL 50 50 16039 1 . VAL 51 51 16039 1 . LYS 52 52 16039 1 . ARG 53 53 16039 1 . GLY 54 54 16039 1 . PRO 55 55 16039 1 . ASN 56 56 16039 1 . ALA 57 57 16039 1 . GLY 58 58 16039 1 . ALA 59 59 16039 1 . ARG 60 60 16039 1 . PHE 61 61 16039 1 . LEU 62 62 16039 1 . LEU 63 63 16039 1 . ASP 64 64 16039 1 . GLN 65 65 16039 1 . PRO 66 66 16039 1 . THR 67 67 16039 1 . THR 68 68 16039 1 . THR 69 69 16039 1 . ALA 70 70 16039 1 . GLY 71 71 16039 1 . ARG 72 72 16039 1 . HIS 73 73 16039 1 . PRO 74 74 16039 1 . GLU 75 75 16039 1 . SER 76 76 16039 1 . ASP 77 77 16039 1 . ILE 78 78 16039 1 . PHE 79 79 16039 1 . LEU 80 80 16039 1 . ASP 81 81 16039 1 . ASP 82 82 16039 1 . VAL 83 83 16039 1 . THR 84 84 16039 1 . VAL 85 85 16039 1 . SER 86 86 16039 1 . ARG 87 87 16039 1 . ARG 88 88 16039 1 . HIS 89 89 16039 1 . ALA 90 90 16039 1 . GLU 91 91 16039 1 . PHE 92 92 16039 1 . ARG 93 93 16039 1 . ILE 94 94 16039 1 . ASN 95 95 16039 1 . GLU 96 96 16039 1 . GLY 97 97 16039 1 . GLU 98 98 16039 1 . PHE 99 99 16039 1 . GLU 100 100 16039 1 . VAL 101 101 16039 1 . VAL 102 102 16039 1 . ASP 103 103 16039 1 . VAL 104 104 16039 1 . GLY 105 105 16039 1 . SER 106 106 16039 1 . LEU 107 107 16039 1 . ASN 108 108 16039 1 . GLY 109 109 16039 1 . THR 110 110 16039 1 . TYR 111 111 16039 1 . VAL 112 112 16039 1 . ASN 113 113 16039 1 . ARG 114 114 16039 1 . GLU 115 115 16039 1 . PRO 116 116 16039 1 . ARG 117 117 16039 1 . ASN 118 118 16039 1 . ALA 119 119 16039 1 . GLN 120 120 16039 1 . VAL 121 121 16039 1 . MET 122 122 16039 1 . GLN 123 123 16039 1 . THR 124 124 16039 1 . GLY 125 125 16039 1 . ASP 126 126 16039 1 . GLU 127 127 16039 1 . ILE 128 128 16039 1 . GLN 129 129 16039 1 . ILE 130 130 16039 1 . GLY 131 131 16039 1 . LYS 132 132 16039 1 . PHE 133 133 16039 1 . ARG 134 134 16039 1 . LEU 135 135 16039 1 . VAL 136 136 16039 1 . PHE 137 137 16039 1 . LEU 138 138 16039 1 . ALA 139 139 16039 1 . GLY 140 140 16039 1 . PRO 141 141 16039 1 . ALA 142 142 16039 1 . GLU 143 143 16039 1 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 16039 _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 $OdhI . 1718 organism . 'Corynebacterium glutamicum' 'Corynebacterium glutamicum' . . Bacteria . Corynebacterium glutamicum . . . . . . . . . . . . . . . . odhI . . . . 16039 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 16039 _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 $OdhI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b-TEV . . . . . . 16039 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16039 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 OdhI '[U-100% 15N]' . . 1 $OdhI . . 0.3 . . mM . . . . 16039 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16039 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16039 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16039 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 16039 _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' 0.15 . M 16039 1 pH 6.2 . pH 16039 1 pressure 1 . atm 16039 1 temperature 293 . K 16039 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16039 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16039 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16039 1 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 16039 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16039 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16039 _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 Bruker Avance . 500 . . . 16039 1 2 spectrometer_2 Bruker Avance . 600 . . . 16039 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 16039 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16039 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16039 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 16039 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16039 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16039 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 16039 _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 '3D 1H-15N NOESY' . . . 16039 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 H H 1 7.984 0.001 . 1 . . . . 1 M H . 16039 1 2 . 1 1 1 1 MET HA H 1 4.249 0.001 . 1 . . . . 1 M HA . 16039 1 3 . 1 1 1 1 MET HB2 H 1 1.611 0.001 . 2 . . . . 1 M HB2 . 16039 1 4 . 1 1 1 1 MET HB3 H 1 1.570 0.001 . 2 . . . . 1 M HB3 . 16039 1 5 . 1 1 1 1 MET HE1 H 1 1.670 0.001 . . . . . . 1 M QE . 16039 1 6 . 1 1 1 1 MET HE2 H 1 1.670 0.001 . . . . . . 1 M QE . 16039 1 7 . 1 1 1 1 MET HE3 H 1 1.670 0.001 . . . . . . 1 M QE . 16039 1 8 . 1 1 1 1 MET HG2 H 1 1.810 0.001 . 2 . . . . 1 M HG2 . 16039 1 9 . 1 1 1 1 MET HG3 H 1 1.771 0.001 . 2 . . . . 1 M HG3 . 16039 1 10 . 1 1 1 1 MET N N 15 121.081 0.001 . 1 . . . . 1 M N . 16039 1 11 . 1 1 2 2 SER H H 1 8.388 0.001 . 1 . . . . 2 S H . 16039 1 12 . 1 1 2 2 SER HA H 1 4.431 0.001 . 1 . . . . 2 S HA . 16039 1 13 . 1 1 2 2 SER HB2 H 1 3.881 0.001 . 2 . . . . 2 S HB2 . 16039 1 14 . 1 1 2 2 SER HB3 H 1 3.849 0.001 . 2 . . . . 2 S HB3 . 16039 1 15 . 1 1 2 2 SER N N 15 116.881 0.001 . 1 . . . . 2 S N . 16039 1 16 . 1 1 3 3 ASP H H 1 8.301 0.001 . 1 . . . . 3 D H . 16039 1 17 . 1 1 3 3 ASP HA H 1 4.595 0.001 . 1 . . . . 3 D HA . 16039 1 18 . 1 1 3 3 ASP HB2 H 1 2.692 0.001 . 2 . . . . 3 D HB2 . 16039 1 19 . 1 1 3 3 ASP HB3 H 1 2.645 0.001 . 2 . . . . 3 D HB3 . 16039 1 20 . 1 1 3 3 ASP N N 15 122.241 0.001 . 1 . . . . 3 D N . 16039 1 21 . 1 1 4 4 ASN H H 1 8.358 0.001 . 1 . . . . 4 N H . 16039 1 22 . 1 1 4 4 ASN HA H 1 4.691 0.001 . 1 . . . . 4 N HA . 16039 1 23 . 1 1 4 4 ASN HB2 H 1 2.830 0.001 . 2 . . . . 4 N HB2 . 16039 1 24 . 1 1 4 4 ASN HB3 H 1 2.734 0.001 . 2 . . . . 4 N HB3 . 16039 1 25 . 1 1 4 4 ASN HD21 H 1 7.581 0.001 . 2 . . . . 4 N HD21 . 16039 1 26 . 1 1 4 4 ASN HD22 H 1 6.881 0.001 . 2 . . . . 4 N HD22 . 16039 1 27 . 1 1 4 4 ASN N N 15 118.841 0.001 . 1 . . . . 4 N N . 16039 1 28 . 1 1 5 5 ASN H H 1 8.443 0.001 . 1 . . . . 5 N H . 16039 1 29 . 1 1 5 5 ASN HA H 1 4.729 0.001 . 1 . . . . 5 N HA . 16039 1 30 . 1 1 5 5 ASN HB2 H 1 2.842 0.001 . 2 . . . . 5 N HB2 . 16039 1 31 . 1 1 5 5 ASN HB3 H 1 2.777 0.001 . 2 . . . . 5 N HB3 . 16039 1 32 . 1 1 5 5 ASN HD21 H 1 7.581 0.001 . 2 . . . . 5 N HD21 . 16039 1 33 . 1 1 5 5 ASN HD22 H 1 6.881 0.001 . 2 . . . . 5 N HD22 . 16039 1 34 . 1 1 5 5 ASN N N 15 119.071 0.001 . 1 . . . . 5 N N . 16039 1 35 . 1 1 6 6 GLY H H 1 8.308 0.001 . 1 . . . . 6 G H . 16039 1 36 . 1 1 6 6 GLY HA2 H 1 3.981 0.001 . 2 . . . . 6 G HA2 . 16039 1 37 . 1 1 6 6 GLY HA3 H 1 3.952 0.001 . 2 . . . . 6 G HA3 . 16039 1 38 . 1 1 6 6 GLY N N 15 109.021 0.001 . 1 . . . . 6 G N . 16039 1 39 . 1 1 7 7 THR H H 1 8.058 0.001 . 1 . . . . 7 T H . 16039 1 40 . 1 1 7 7 THR HA H 1 4.592 0.001 . 1 . . . . 7 T HA . 16039 1 41 . 1 1 7 7 THR HB H 1 4.135 0.001 . 1 . . . . 7 T HB . 16039 1 42 . 1 1 7 7 THR HG21 H 1 1.237 0.001 . . . . . . 7 T QG2 . 16039 1 43 . 1 1 7 7 THR HG22 H 1 1.237 0.001 . . . . . . 7 T QG2 . 16039 1 44 . 1 1 7 7 THR HG23 H 1 1.237 0.001 . . . . . . 7 T QG2 . 16039 1 45 . 1 1 7 7 THR N N 15 116.881 0.001 . 1 . . . . 7 T N . 16039 1 46 . 1 1 8 8 PRO HA H 1 4.415 0.001 . 1 . . . . 8 P HA . 16039 1 47 . 1 1 8 8 PRO HB2 H 1 2.381 0.001 . 2 . . . . 8 P HB2 . 16039 1 48 . 1 1 8 8 PRO HB3 H 1 1.881 0.001 . 2 . . . . 8 P HB3 . 16039 1 49 . 1 1 8 8 PRO HD2 H 1 3.881 0.001 . 2 . . . . 8 P HD2 . 16039 1 50 . 1 1 8 8 PRO HD3 H 1 3.781 0.001 . 2 . . . . 8 P HD3 . 16039 1 51 . 1 1 8 8 PRO HG2 H 1 2.281 0.001 . 2 . . . . 8 P HG2 . 16039 1 52 . 1 1 8 8 PRO HG3 H 1 2.181 0.001 . 2 . . . . 8 P HG3 . 16039 1 53 . 1 1 9 9 GLU H H 1 8.446 0.001 . 1 . . . . 9 E H . 16039 1 54 . 1 1 9 9 GLU HA H 1 4.528 0.001 . 1 . . . . 9 E HA . 16039 1 55 . 1 1 9 9 GLU HB2 H 1 2.018 0.001 . 2 . . . . 9 E HB2 . 16039 1 56 . 1 1 9 9 GLU HB3 H 1 1.865 0.001 . 2 . . . . 9 E HB3 . 16039 1 57 . 1 1 9 9 GLU HG2 H 1 2.312 0.001 . 2 . . . . 9 E HG2 . 16039 1 58 . 1 1 9 9 GLU HG3 H 1 2.273 0.001 . 2 . . . . 9 E HG3 . 16039 1 59 . 1 1 9 9 GLU N N 15 122.901 0.001 . 1 . . . . 9 E N . 16039 1 60 . 1 1 10 10 PRO HA H 1 4.376 0.001 . 1 . . . . 10 P HA . 16039 1 61 . 1 1 10 10 PRO HB2 H 1 2.381 0.001 . 2 . . . . 10 P HB2 . 16039 1 62 . 1 1 10 10 PRO HB3 H 1 1.881 0.001 . 2 . . . . 10 P HB3 . 16039 1 63 . 1 1 10 10 PRO HD2 H 1 3.806 0.001 . 2 . . . . 10 P HD2 . 16039 1 64 . 1 1 10 10 PRO HD3 H 1 3.677 0.001 . 2 . . . . 10 P HD3 . 16039 1 65 . 1 1 10 10 PRO HG2 H 1 2.281 0.001 . 2 . . . . 10 P HG2 . 16039 1 66 . 1 1 10 10 PRO HG3 H 1 2.181 0.001 . 2 . . . . 10 P HG3 . 16039 1 67 . 1 1 11 11 GLN H H 1 8.489 0.001 . 1 . . . . 11 Q H . 16039 1 68 . 1 1 11 11 GLN HA H 1 4.354 0.001 . 1 . . . . 11 Q HA . 16039 1 69 . 1 1 11 11 GLN HB2 H 1 2.081 0.001 . 2 . . . . 11 Q HB2 . 16039 1 70 . 1 1 11 11 GLN HB3 H 1 1.948 0.001 . 2 . . . . 11 Q HB3 . 16039 1 71 . 1 1 11 11 GLN HE21 H 1 7.581 0.001 . 2 . . . . 11 Q HE21 . 16039 1 72 . 1 1 11 11 GLN HE22 H 1 6.881 0.001 . 2 . . . . 11 Q HE22 . 16039 1 73 . 1 1 11 11 GLN HG2 H 1 2.389 0.001 . 2 . . . . 11 Q HG2 . 16039 1 74 . 1 1 11 11 GLN HG3 H 1 2.354 0.001 . 2 . . . . 11 Q HG3 . 16039 1 75 . 1 1 11 11 GLN N N 15 121.241 0.001 . 1 . . . . 11 Q N . 16039 1 76 . 1 1 12 12 VAL H H 1 8.195 0.001 . 1 . . . . 12 V H . 16039 1 77 . 1 1 12 12 VAL HA H 1 4.104 0.001 . 1 . . . . 12 V HA . 16039 1 78 . 1 1 12 12 VAL HB H 1 2.049 0.001 . 1 . . . . 12 V HB . 16039 1 79 . 1 1 12 12 VAL HG11 H 1 0.927 0.001 . . . . . . 12 V QG1 . 16039 1 80 . 1 1 12 12 VAL HG12 H 1 0.927 0.001 . . . . . . 12 V QG1 . 16039 1 81 . 1 1 12 12 VAL HG13 H 1 0.927 0.001 . . . . . . 12 V QG1 . 16039 1 82 . 1 1 12 12 VAL HG21 H 1 0.899 0.001 . . . . . . 12 V QG2 . 16039 1 83 . 1 1 12 12 VAL HG22 H 1 0.899 0.001 . . . . . . 12 V QG2 . 16039 1 84 . 1 1 12 12 VAL HG23 H 1 0.899 0.001 . . . . . . 12 V QG2 . 16039 1 85 . 1 1 12 12 VAL N N 15 121.981 0.001 . 1 . . . . 12 V N . 16039 1 86 . 1 1 13 13 GLU H H 1 8.570 0.001 . 1 . . . . 13 E H . 16039 1 87 . 1 1 13 13 GLU HA H 1 4.277 0.001 . 1 . . . . 13 E HA . 16039 1 88 . 1 1 13 13 GLU HB2 H 1 2.007 0.001 . 2 . . . . 13 E HB2 . 16039 1 89 . 1 1 13 13 GLU HB3 H 1 1.906 0.001 . 2 . . . . 13 E HB3 . 16039 1 90 . 1 1 13 13 GLU HG2 H 1 2.240 0.001 . 2 . . . . 13 E HG2 . 16039 1 91 . 1 1 13 13 GLU HG3 H 1 2.212 0.001 . 2 . . . . 13 E HG3 . 16039 1 92 . 1 1 13 13 GLU N N 15 124.951 0.001 . 1 . . . . 13 E N . 16039 1 93 . 1 1 14 14 THR H H 1 8.299 0.001 . 1 . . . . 14 T H . 16039 1 94 . 1 1 14 14 THR HA H 1 4.236 0.001 . 1 . . . . 14 T HA . 16039 1 95 . 1 1 14 14 THR HB H 1 4.212 0.001 . 1 . . . . 14 T HB . 16039 1 96 . 1 1 14 14 THR HG21 H 1 1.413 0.001 . . . . . . 14 T QG2 . 16039 1 97 . 1 1 14 14 THR HG22 H 1 1.413 0.001 . . . . . . 14 T QG2 . 16039 1 98 . 1 1 14 14 THR HG23 H 1 1.413 0.001 . . . . . . 14 T QG2 . 16039 1 99 . 1 1 14 14 THR N N 15 116.001 0.001 . 1 . . . . 14 T N . 16039 1 100 . 1 1 15 15 THR H H 1 8.158 0.001 . 1 . . . . 15 T H . 16039 1 101 . 1 1 15 15 THR HA H 1 4.339 0.001 . 1 . . . . 15 T HA . 16039 1 102 . 1 1 15 15 THR HB H 1 4.081 0.001 . 1 . . . . 15 T HB . 16039 1 103 . 1 1 15 15 THR HG21 H 1 1.206 0.001 . . . . . . 15 T QG2 . 16039 1 104 . 1 1 15 15 THR HG22 H 1 1.206 0.001 . . . . . . 15 T QG2 . 16039 1 105 . 1 1 15 15 THR HG23 H 1 1.206 0.001 . . . . . . 15 T QG2 . 16039 1 106 . 1 1 15 15 THR N N 15 115.061 0.001 . 1 . . . . 15 T N . 16039 1 107 . 1 1 16 16 SER H H 1 8.159 0.001 . 1 . . . . 16 S H . 16039 1 108 . 1 1 16 16 SER HA H 1 4.372 0.001 . 1 . . . . 16 S HA . 16039 1 109 . 1 1 16 16 SER HB2 H 1 3.881 0.001 . 2 . . . . 16 S HB2 . 16039 1 110 . 1 1 16 16 SER HB3 H 1 3.855 0.001 . 2 . . . . 16 S HB3 . 16039 1 111 . 1 1 16 16 SER N N 15 116.441 0.001 . 1 . . . . 16 S N . 16039 1 112 . 1 1 17 17 VAL H H 1 8.013 0.001 . 1 . . . . 17 V H . 16039 1 113 . 1 1 17 17 VAL HA H 1 4.057 0.001 . 1 . . . . 17 V HA . 16039 1 114 . 1 1 17 17 VAL HB H 1 1.997 0.001 . 1 . . . . 17 V HB . 16039 1 115 . 1 1 17 17 VAL HG11 H 1 0.829 0.001 . . . . . . 17 V QG1 . 16039 1 116 . 1 1 17 17 VAL HG12 H 1 0.829 0.001 . . . . . . 17 V QG1 . 16039 1 117 . 1 1 17 17 VAL HG13 H 1 0.829 0.001 . . . . . . 17 V QG1 . 16039 1 118 . 1 1 17 17 VAL HG21 H 1 0.812 0.001 . . . . . . 17 V QG2 . 16039 1 119 . 1 1 17 17 VAL HG22 H 1 0.812 0.001 . . . . . . 17 V QG2 . 16039 1 120 . 1 1 17 17 VAL HG23 H 1 0.812 0.001 . . . . . . 17 V QG2 . 16039 1 121 . 1 1 17 17 VAL N N 15 121.781 0.001 . 1 . . . . 17 V N . 16039 1 122 . 1 1 18 18 PHE H H 1 8.274 0.001 . 1 . . . . 18 F H . 16039 1 123 . 1 1 18 18 PHE HA H 1 4.572 0.001 . 1 . . . . 18 F HA . 16039 1 124 . 1 1 18 18 PHE HB2 H 1 3.067 0.001 . 2 . . . . 18 F HB2 . 16039 1 125 . 1 1 18 18 PHE HB3 H 1 3.038 0.001 . 2 . . . . 18 F HB3 . 16039 1 126 . 1 1 18 18 PHE HD1 H 1 7.213 0.001 . 3 . . . . 18 F QD . 16039 1 127 . 1 1 18 18 PHE HD2 H 1 7.213 0.001 . 3 . . . . 18 F QD . 16039 1 128 . 1 1 18 18 PHE HE1 H 1 7.040 0.001 . 3 . . . . 18 F QE . 16039 1 129 . 1 1 18 18 PHE HE2 H 1 7.040 0.001 . 3 . . . . 18 F QE . 16039 1 130 . 1 1 18 18 PHE HZ H 1 6.936 0.001 . 1 . . . . 18 F HZ . 16039 1 131 . 1 1 18 18 PHE N N 15 124.161 0.001 . 1 . . . . 18 F N . 16039 1 132 . 1 1 19 19 ARG H H 1 8.064 0.001 . 1 . . . . 19 R H . 16039 1 133 . 1 1 19 19 ARG HA H 1 4.211 0.001 . 1 . . . . 19 R HA . 16039 1 134 . 1 1 19 19 ARG HB2 H 1 1.802 0.001 . 2 . . . . 19 R HB2 . 16039 1 135 . 1 1 19 19 ARG HB3 H 1 1.676 0.001 . 2 . . . . 19 R HB3 . 16039 1 136 . 1 1 19 19 ARG HD2 H 1 3.281 0.001 . 2 . . . . 19 R HD2 . 16039 1 137 . 1 1 19 19 ARG HD3 H 1 3.181 0.001 . 2 . . . . 19 R HD3 . 16039 1 138 . 1 1 19 19 ARG HE H 1 7.081 0.001 . 1 . . . . 19 R HE . 16039 1 139 . 1 1 19 19 ARG HG2 H 1 1.585 0.001 . 2 . . . . 19 R HG2 . 16039 1 140 . 1 1 19 19 ARG HG3 H 1 1.539 0.001 . 2 . . . . 19 R HG3 . 16039 1 141 . 1 1 19 19 ARG N N 15 123.961 0.001 . 1 . . . . 19 R N . 16039 1 142 . 1 1 20 20 ALA H H 1 8.274 0.001 . 1 . . . . 20 A H . 16039 1 143 . 1 1 20 20 ALA HA H 1 4.086 0.001 . 1 . . . . 20 A HA . 16039 1 144 . 1 1 20 20 ALA HB1 H 1 1.361 0.001 . . . . . . 20 A QB . 16039 1 145 . 1 1 20 20 ALA HB2 H 1 1.361 0.001 . . . . . . 20 A QB . 16039 1 146 . 1 1 20 20 ALA HB3 H 1 1.361 0.001 . . . . . . 20 A QB . 16039 1 147 . 1 1 20 20 ALA N N 15 125.241 0.001 . 1 . . . . 20 A N . 16039 1 148 . 1 1 21 21 ASP H H 1 8.392 0.001 . 1 . . . . 21 D H . 16039 1 149 . 1 1 21 21 ASP HA H 1 4.469 0.001 . 1 . . . . 21 D HA . 16039 1 150 . 1 1 21 21 ASP HB2 H 1 2.660 0.001 . 2 . . . . 21 D HB2 . 16039 1 151 . 1 1 21 21 ASP HB3 H 1 2.626 0.001 . 2 . . . . 21 D HB3 . 16039 1 152 . 1 1 21 21 ASP N N 15 118.031 0.001 . 1 . . . . 21 D N . 16039 1 153 . 1 1 22 22 LEU H H 1 7.812 0.001 . 1 . . . . 22 L H . 16039 1 154 . 1 1 22 22 LEU HA H 1 4.209 0.001 . 1 . . . . 22 L HA . 16039 1 155 . 1 1 22 22 LEU HB2 H 1 1.602 0.001 . 2 . . . . 22 L HB2 . 16039 1 156 . 1 1 22 22 LEU HB3 H 1 1.564 0.001 . 2 . . . . 22 L HB3 . 16039 1 157 . 1 1 22 22 LEU HD11 H 1 0.861 0.001 . . . . . . 22 L QD1 . 16039 1 158 . 1 1 22 22 LEU HD12 H 1 0.861 0.001 . . . . . . 22 L QD1 . 16039 1 159 . 1 1 22 22 LEU HD13 H 1 0.861 0.001 . . . . . . 22 L QD1 . 16039 1 160 . 1 1 22 22 LEU HD21 H 1 0.833 0.001 . . . . . . 22 L QD2 . 16039 1 161 . 1 1 22 22 LEU HD22 H 1 0.833 0.001 . . . . . . 22 L QD2 . 16039 1 162 . 1 1 22 22 LEU HD23 H 1 0.833 0.001 . . . . . . 22 L QD2 . 16039 1 163 . 1 1 22 22 LEU HG H 1 1.481 0.001 . 1 . . . . 22 L HG . 16039 1 164 . 1 1 22 22 LEU N N 15 121.531 0.001 . 1 . . . . 22 L N . 16039 1 165 . 1 1 23 23 LEU H H 1 8.055 0.001 . 1 . . . . 23 L H . 16039 1 166 . 1 1 23 23 LEU HA H 1 4.223 0.001 . 1 . . . . 23 L HA . 16039 1 167 . 1 1 23 23 LEU HB2 H 1 1.670 0.001 . 2 . . . . 23 L HB2 . 16039 1 168 . 1 1 23 23 LEU HB3 H 1 1.599 0.001 . 2 . . . . 23 L HB3 . 16039 1 169 . 1 1 23 23 LEU HD11 H 1 0.904 0.001 . . . . . . 23 L QD1 . 16039 1 170 . 1 1 23 23 LEU HD12 H 1 0.904 0.001 . . . . . . 23 L QD1 . 16039 1 171 . 1 1 23 23 LEU HD13 H 1 0.904 0.001 . . . . . . 23 L QD1 . 16039 1 172 . 1 1 23 23 LEU HD21 H 1 0.870 0.001 . . . . . . 23 L QD2 . 16039 1 173 . 1 1 23 23 LEU HD22 H 1 0.870 0.001 . . . . . . 23 L QD2 . 16039 1 174 . 1 1 23 23 LEU HD23 H 1 0.870 0.001 . . . . . . 23 L QD2 . 16039 1 175 . 1 1 23 23 LEU HG H 1 1.481 0.001 . 1 . . . . 23 L HG . 16039 1 176 . 1 1 23 23 LEU N N 15 120.401 0.001 . 1 . . . . 23 L N . 16039 1 177 . 1 1 24 24 LYS H H 1 7.944 0.001 . 1 . . . . 24 K H . 16039 1 178 . 1 1 24 24 LYS HA H 1 4.214 0.001 . 1 . . . . 24 K HA . 16039 1 179 . 1 1 24 24 LYS HB2 H 1 1.799 0.001 . 2 . . . . 24 K HB2 . 16039 1 180 . 1 1 24 24 LYS HB3 H 1 1.817 0.001 . 2 . . . . 24 K HB3 . 16039 1 181 . 1 1 24 24 LYS HD2 H 1 1.644 0.001 . 2 . . . . 24 K HD2 . 16039 1 182 . 1 1 24 24 LYS HE2 H 1 2.981 0.001 . 2 . . . . 24 K HE2 . 16039 1 183 . 1 1 24 24 LYS HG2 H 1 1.427 0.001 . 2 . . . . 24 K HG2 . 16039 1 184 . 1 1 24 24 LYS HG3 H 1 1.409 0.001 . 2 . . . . 24 K HG3 . 16039 1 185 . 1 1 24 24 LYS N N 15 120.921 0.001 . 1 . . . . 24 K N . 16039 1 186 . 1 1 25 25 GLU H H 1 8.240 0.001 . 1 . . . . 25 E H . 16039 1 187 . 1 1 25 25 GLU HA H 1 4.205 0.001 . 1 . . . . 25 E HA . 16039 1 188 . 1 1 25 25 GLU HB2 H 1 2.046 0.001 . 2 . . . . 25 E HB2 . 16039 1 189 . 1 1 25 25 GLU HB3 H 1 1.955 0.001 . 2 . . . . 25 E HB3 . 16039 1 190 . 1 1 25 25 GLU HG2 H 1 2.268 0.001 . 2 . . . . 25 E HG2 . 16039 1 191 . 1 1 25 25 GLU HG3 H 1 2.244 0.001 . 2 . . . . 25 E HG3 . 16039 1 192 . 1 1 25 25 GLU N N 15 121.071 0.001 . 1 . . . . 25 E N . 16039 1 193 . 1 1 26 26 MET H H 1 8.229 0.001 . 1 . . . . 26 M H . 16039 1 194 . 1 1 26 26 MET HA H 1 4.402 0.001 . 1 . . . . 26 M HA . 16039 1 195 . 1 1 26 26 MET HB2 H 1 2.068 0.001 . 2 . . . . 26 M HB2 . 16039 1 196 . 1 1 26 26 MET HB3 H 1 2.029 0.001 . 2 . . . . 26 M HB3 . 16039 1 197 . 1 1 26 26 MET HE1 H 1 2.121 0.001 . . . . . . 26 M QE . 16039 1 198 . 1 1 26 26 MET HE2 H 1 2.121 0.001 . . . . . . 26 M QE . 16039 1 199 . 1 1 26 26 MET HE3 H 1 2.121 0.001 . . . . . . 26 M QE . 16039 1 200 . 1 1 26 26 MET HG2 H 1 2.617 0.001 . 2 . . . . 26 M HG2 . 16039 1 201 . 1 1 26 26 MET HG3 H 1 2.546 0.001 . 2 . . . . 26 M HG3 . 16039 1 202 . 1 1 26 26 MET N N 15 120.361 0.001 . 1 . . . . 26 M N . 16039 1 203 . 1 1 27 27 GLU H H 1 8.285 0.001 . 1 . . . . 27 E H . 16039 1 204 . 1 1 27 27 GLU HA H 1 4.260 0.001 . 1 . . . . 27 E HA . 16039 1 205 . 1 1 27 27 GLU HB2 H 1 2.044 0.001 . 2 . . . . 27 E HB2 . 16039 1 206 . 1 1 27 27 GLU HB3 H 1 1.991 0.001 . 2 . . . . 27 E HB3 . 16039 1 207 . 1 1 27 27 GLU HG2 H 1 2.301 0.001 . 2 . . . . 27 E HG2 . 16039 1 208 . 1 1 27 27 GLU HG3 H 1 2.265 0.001 . 2 . . . . 27 E HG3 . 16039 1 209 . 1 1 27 27 GLU N N 15 121.681 0.001 . 1 . . . . 27 E N . 16039 1 210 . 1 1 28 28 SER H H 1 8.264 0.001 . 1 . . . . 28 S H . 16039 1 211 . 1 1 28 28 SER HA H 1 4.473 0.001 . 1 . . . . 28 S HA . 16039 1 212 . 1 1 28 28 SER HB2 H 1 3.925 0.001 . 2 . . . . 28 S HB2 . 16039 1 213 . 1 1 28 28 SER HB3 H 1 3.878 0.001 . 2 . . . . 28 S HB3 . 16039 1 214 . 1 1 28 28 SER N N 15 116.311 0.001 . 1 . . . . 28 S N . 16039 1 215 . 1 1 29 29 SER H H 1 8.348 0.001 . 1 . . . . 29 S H . 16039 1 216 . 1 1 29 29 SER HA H 1 5.320 0.001 . 1 . . . . 29 S HA . 16039 1 217 . 1 1 29 29 SER HB2 H 1 3.881 0.001 . 2 . . . . 29 S HB2 . 16039 1 218 . 1 1 29 29 SER HB3 H 1 3.781 0.001 . 2 . . . . 29 S HB3 . 16039 1 219 . 1 1 29 29 SER N N 15 118.011 0.001 . 1 . . . . 29 S N . 16039 1 220 . 1 1 30 30 THR H H 1 8.260 0.001 . 1 . . . . 30 T H . 16039 1 221 . 1 1 30 30 THR HA H 1 4.344 0.001 . 1 . . . . 30 T HA . 16039 1 222 . 1 1 30 30 THR HB H 1 3.887 0.001 . 1 . . . . 30 T HB . 16039 1 223 . 1 1 30 30 THR HG21 H 1 1.381 0.001 . . . . . . 30 T QG2 . 16039 1 224 . 1 1 30 30 THR HG22 H 1 1.381 0.001 . . . . . . 30 T QG2 . 16039 1 225 . 1 1 30 30 THR HG23 H 1 1.381 0.001 . . . . . . 30 T QG2 . 16039 1 226 . 1 1 30 30 THR N N 15 114.871 0.001 . 1 . . . . 30 T N . 16039 1 227 . 1 1 31 31 GLY H H 1 8.330 0.001 . 1 . . . . 31 G H . 16039 1 228 . 1 1 31 31 GLY HA2 H 1 4.024 0.001 . 2 . . . . 31 G HA2 . 16039 1 229 . 1 1 31 31 GLY HA3 H 1 3.996 0.001 . 2 . . . . 31 G HA3 . 16039 1 230 . 1 1 31 31 GLY N N 15 111.121 0.001 . 1 . . . . 31 G N . 16039 1 231 . 1 1 32 32 THR H H 1 7.985 0.001 . 1 . . . . 32 T H . 16039 1 232 . 1 1 32 32 THR HA H 1 4.320 0.001 . 1 . . . . 32 T HA . 16039 1 233 . 1 1 32 32 THR HB H 1 4.160 0.001 . 1 . . . . 32 T HB . 16039 1 234 . 1 1 32 32 THR HG21 H 1 1.176 0.001 . . . . . . 32 T QG2 . 16039 1 235 . 1 1 32 32 THR HG22 H 1 1.176 0.001 . . . . . . 32 T QG2 . 16039 1 236 . 1 1 32 32 THR HG23 H 1 1.176 0.001 . . . . . . 32 T QG2 . 16039 1 237 . 1 1 32 32 THR N N 15 113.771 0.001 . 1 . . . . 32 T N . 16039 1 238 . 1 1 33 33 ALA H H 1 8.323 0.001 . 1 . . . . 33 A H . 16039 1 239 . 1 1 33 33 ALA HA H 1 4.582 0.001 . 1 . . . . 33 A HA . 16039 1 240 . 1 1 33 33 ALA HB1 H 1 1.340 0.001 . . . . . . 33 A QB . 16039 1 241 . 1 1 33 33 ALA HB2 H 1 1.340 0.001 . . . . . . 33 A QB . 16039 1 242 . 1 1 33 33 ALA HB3 H 1 1.340 0.001 . . . . . . 33 A QB . 16039 1 243 . 1 1 33 33 ALA N N 15 128.101 0.001 . 1 . . . . 33 A N . 16039 1 244 . 1 1 34 34 PRO HA H 1 4.390 0.001 . 1 . . . . 34 P HA . 16039 1 245 . 1 1 34 34 PRO HB2 H 1 2.281 0.001 . 2 . . . . 34 P HB2 . 16039 1 246 . 1 1 34 34 PRO HB3 H 1 1.881 0.001 . 2 . . . . 34 P HB3 . 16039 1 247 . 1 1 34 34 PRO HD2 H 1 3.618 0.001 . 2 . . . . 34 P HD2 . 16039 1 248 . 1 1 34 34 PRO HD3 H 1 3.438 0.001 . 2 . . . . 34 P HD3 . 16039 1 249 . 1 1 34 34 PRO HG2 H 1 2.085 0.001 . 2 . . . . 34 P HG2 . 16039 1 250 . 1 1 34 34 PRO HG3 H 1 2.032 0.001 . 2 . . . . 34 P HG3 . 16039 1 251 . 1 1 35 35 ALA H H 1 8.413 0.001 . 1 . . . . 35 A H . 16039 1 252 . 1 1 35 35 ALA HA H 1 4.276 0.001 . 1 . . . . 35 A HA . 16039 1 253 . 1 1 35 35 ALA HB1 H 1 1.367 0.001 . . . . . . 35 A QB . 16039 1 254 . 1 1 35 35 ALA HB2 H 1 1.367 0.001 . . . . . . 35 A QB . 16039 1 255 . 1 1 35 35 ALA HB3 H 1 1.367 0.001 . . . . . . 35 A QB . 16039 1 256 . 1 1 35 35 ALA N N 15 124.311 0.001 . 1 . . . . 35 A N . 16039 1 257 . 1 1 36 36 SER H H 1 8.260 0.001 . 1 . . . . 36 S H . 16039 1 258 . 1 1 36 36 SER HA H 1 4.475 0.001 . 1 . . . . 36 S HA . 16039 1 259 . 1 1 36 36 SER HB2 H 1 3.868 0.001 . 2 . . . . 36 S HB2 . 16039 1 260 . 1 1 36 36 SER HB3 H 1 3.821 0.001 . 2 . . . . 36 S HB3 . 16039 1 261 . 1 1 36 36 SER N N 15 114.531 0.001 . 1 . . . . 36 S N . 16039 1 262 . 1 1 37 37 THR H H 1 8.452 0.001 . 1 . . . . 37 T H . 16039 1 263 . 1 1 37 37 THR HA H 1 4.305 0.001 . 1 . . . . 37 T HA . 16039 1 264 . 1 1 37 37 THR HB H 1 4.081 0.001 . 1 . . . . 37 T HB . 16039 1 265 . 1 1 37 37 THR HG21 H 1 1.164 0.001 . . . . . . 37 T QG2 . 16039 1 266 . 1 1 37 37 THR HG22 H 1 1.164 0.001 . . . . . . 37 T QG2 . 16039 1 267 . 1 1 37 37 THR HG23 H 1 1.164 0.001 . . . . . . 37 T QG2 . 16039 1 268 . 1 1 37 37 THR N N 15 115.521 0.001 . 1 . . . . 37 T N . 16039 1 269 . 1 1 38 38 GLY H H 1 8.505 0.001 . 1 . . . . 38 G H . 16039 1 270 . 1 1 38 38 GLY HA2 H 1 3.992 0.001 . 2 . . . . 38 G HA2 . 16039 1 271 . 1 1 38 38 GLY HA3 H 1 3.828 0.001 . 2 . . . . 38 G HA3 . 16039 1 272 . 1 1 38 38 GLY N N 15 110.891 0.001 . 1 . . . . 38 G N . 16039 1 273 . 1 1 39 39 ALA H H 1 8.206 0.001 . 1 . . . . 39 A H . 16039 1 274 . 1 1 39 39 ALA HA H 1 4.148 0.001 . 1 . . . . 39 A HA . 16039 1 275 . 1 1 39 39 ALA HB1 H 1 1.210 0.001 . . . . . . 39 A QB . 16039 1 276 . 1 1 39 39 ALA HB2 H 1 1.210 0.001 . . . . . . 39 A QB . 16039 1 277 . 1 1 39 39 ALA HB3 H 1 1.210 0.001 . . . . . . 39 A QB . 16039 1 278 . 1 1 39 39 ALA N N 15 123.911 0.001 . 1 . . . . 39 A N . 16039 1 279 . 1 1 40 40 GLU H H 1 8.730 0.001 . 1 . . . . 40 E H . 16039 1 280 . 1 1 40 40 GLU HA H 1 4.084 0.001 . 1 . . . . 40 E HA . 16039 1 281 . 1 1 40 40 GLU HB2 H 1 1.950 0.001 . 2 . . . . 40 E HB2 . 16039 1 282 . 1 1 40 40 GLU HB3 H 1 1.881 0.001 . 2 . . . . 40 E HB3 . 16039 1 283 . 1 1 40 40 GLU HG2 H 1 2.238 0.001 . 2 . . . . 40 E HG2 . 16039 1 284 . 1 1 40 40 GLU HG3 H 1 2.206 0.001 . 2 . . . . 40 E HG3 . 16039 1 285 . 1 1 40 40 GLU N N 15 118.111 0.001 . 1 . . . . 40 E N . 16039 1 286 . 1 1 41 41 ASN H H 1 8.146 0.001 . 1 . . . . 41 N H . 16039 1 287 . 1 1 41 41 ASN HA H 1 4.717 0.001 . 1 . . . . 41 N HA . 16039 1 288 . 1 1 41 41 ASN HB2 H 1 2.825 0.001 . 2 . . . . 41 N HB2 . 16039 1 289 . 1 1 41 41 ASN HB3 H 1 2.590 0.001 . 2 . . . . 41 N HB3 . 16039 1 290 . 1 1 41 41 ASN HD21 H 1 7.559 0.001 . 2 . . . . 41 N HD21 . 16039 1 291 . 1 1 41 41 ASN HD22 H 1 6.881 0.001 . 2 . . . . 41 N HD22 . 16039 1 292 . 1 1 41 41 ASN N N 15 117.631 0.001 . 1 . . . . 41 N N . 16039 1 293 . 1 1 41 41 ASN ND2 N 15 112.961 0.001 . 1 . . . . 41 N ND2 . 16039 1 294 . 1 1 42 42 LEU H H 1 7.625 0.001 . 1 . . . . 42 L H . 16039 1 295 . 1 1 42 42 LEU HA H 1 4.419 0.001 . 1 . . . . 42 L HA . 16039 1 296 . 1 1 42 42 LEU HB2 H 1 1.506 0.001 . 2 . . . . 42 L HB2 . 16039 1 297 . 1 1 42 42 LEU HB3 H 1 1.431 0.001 . 2 . . . . 42 L HB3 . 16039 1 298 . 1 1 42 42 LEU HD11 H 1 0.673 0.001 . . . . . . 42 L QD1 . 16039 1 299 . 1 1 42 42 LEU HD12 H 1 0.673 0.001 . . . . . . 42 L QD1 . 16039 1 300 . 1 1 42 42 LEU HD13 H 1 0.673 0.001 . . . . . . 42 L QD1 . 16039 1 301 . 1 1 42 42 LEU HD21 H 1 0.599 0.001 . . . . . . 42 L QD2 . 16039 1 302 . 1 1 42 42 LEU HD22 H 1 0.599 0.001 . . . . . . 42 L QD2 . 16039 1 303 . 1 1 42 42 LEU HD23 H 1 0.599 0.001 . . . . . . 42 L QD2 . 16039 1 304 . 1 1 42 42 LEU HG H 1 1.264 0.001 . 1 . . . . 42 L HG . 16039 1 305 . 1 1 42 42 LEU N N 15 122.901 0.001 . 1 . . . . 42 L N . 16039 1 306 . 1 1 43 43 PRO HA H 1 3.981 0.001 . 1 . . . . 43 P HA . 16039 1 307 . 1 1 43 43 PRO HB2 H 1 2.381 0.001 . 2 . . . . 43 P HB2 . 16039 1 308 . 1 1 43 43 PRO HB3 H 1 1.881 0.001 . 2 . . . . 43 P HB3 . 16039 1 309 . 1 1 43 43 PRO HD2 H 1 3.881 0.001 . 2 . . . . 43 P HD2 . 16039 1 310 . 1 1 43 43 PRO HD3 H 1 3.781 0.001 . 2 . . . . 43 P HD3 . 16039 1 311 . 1 1 43 43 PRO HG2 H 1 2.281 0.001 . 2 . . . . 43 P HG2 . 16039 1 312 . 1 1 43 43 PRO HG3 H 1 2.181 0.001 . 2 . . . . 43 P HG3 . 16039 1 313 . 1 1 44 44 ALA H H 1 8.517 0.001 . 1 . . . . 44 A H . 16039 1 314 . 1 1 44 44 ALA HA H 1 4.224 0.001 . 1 . . . . 44 A HA . 16039 1 315 . 1 1 44 44 ALA HB1 H 1 1.261 0.001 . . . . . . 44 A QB . 16039 1 316 . 1 1 44 44 ALA HB2 H 1 1.261 0.001 . . . . . . 44 A QB . 16039 1 317 . 1 1 44 44 ALA HB3 H 1 1.261 0.001 . . . . . . 44 A QB . 16039 1 318 . 1 1 44 44 ALA N N 15 125.111 0.001 . 1 . . . . 44 A N . 16039 1 319 . 1 1 45 45 GLY H H 1 8.837 0.001 . 1 . . . . 45 G H . 16039 1 320 . 1 1 45 45 GLY HA2 H 1 4.199 0.001 . 2 . . . . 45 G HA2 . 16039 1 321 . 1 1 45 45 GLY HA3 H 1 3.855 0.001 . 2 . . . . 45 G HA3 . 16039 1 322 . 1 1 45 45 GLY N N 15 110.351 0.001 . 1 . . . . 45 G N . 16039 1 323 . 1 1 46 46 SER H H 1 7.694 0.001 . 1 . . . . 46 S H . 16039 1 324 . 1 1 46 46 SER HA H 1 5.316 0.001 . 1 . . . . 46 S HA . 16039 1 325 . 1 1 46 46 SER HB2 H 1 3.881 0.001 . 2 . . . . 46 S HB2 . 16039 1 326 . 1 1 46 46 SER HB3 H 1 3.781 0.001 . 2 . . . . 46 S HB3 . 16039 1 327 . 1 1 46 46 SER N N 15 114.221 0.001 . 1 . . . . 46 S N . 16039 1 328 . 1 1 47 47 ALA H H 1 8.375 0.001 . 1 . . . . 47 A H . 16039 1 329 . 1 1 47 47 ALA HA H 1 4.339 0.001 . 1 . . . . 47 A HA . 16039 1 330 . 1 1 47 47 ALA HB1 H 1 0.577 0.001 . . . . . . 47 A QB . 16039 1 331 . 1 1 47 47 ALA HB2 H 1 0.577 0.001 . . . . . . 47 A QB . 16039 1 332 . 1 1 47 47 ALA HB3 H 1 0.577 0.001 . . . . . . 47 A QB . 16039 1 333 . 1 1 47 47 ALA N N 15 120.881 0.001 . 1 . . . . 47 A N . 16039 1 334 . 1 1 48 48 LEU H H 1 8.606 0.001 . 1 . . . . 48 L H . 16039 1 335 . 1 1 48 48 LEU HA H 1 5.022 0.001 . 1 . . . . 48 L HA . 16039 1 336 . 1 1 48 48 LEU HB2 H 1 1.460 0.001 . 2 . . . . 48 L HB2 . 16039 1 337 . 1 1 48 48 LEU HB3 H 1 1.286 0.001 . 2 . . . . 48 L HB3 . 16039 1 338 . 1 1 48 48 LEU HD11 H 1 0.697 0.001 . . . . . . 48 L QD1 . 16039 1 339 . 1 1 48 48 LEU HD12 H 1 0.697 0.001 . . . . . . 48 L QD1 . 16039 1 340 . 1 1 48 48 LEU HD13 H 1 0.697 0.001 . . . . . . 48 L QD1 . 16039 1 341 . 1 1 48 48 LEU HD21 H 1 0.652 0.001 . . . . . . 48 L QD2 . 16039 1 342 . 1 1 48 48 LEU HD22 H 1 0.652 0.001 . . . . . . 48 L QD2 . 16039 1 343 . 1 1 48 48 LEU HD23 H 1 0.652 0.001 . . . . . . 48 L QD2 . 16039 1 344 . 1 1 48 48 LEU HG H 1 1.171 0.001 . 1 . . . . 48 L HG . 16039 1 345 . 1 1 48 48 LEU N N 15 120.181 0.001 . 1 . . . . 48 L N . 16039 1 346 . 1 1 49 49 LEU H H 1 8.650 0.001 . 1 . . . . 49 L H . 16039 1 347 . 1 1 49 49 LEU HA H 1 5.404 0.001 . 1 . . . . 49 L HA . 16039 1 348 . 1 1 49 49 LEU HB2 H 1 1.681 0.001 . 2 . . . . 49 L HB2 . 16039 1 349 . 1 1 49 49 LEU HB3 H 1 1.311 0.001 . 2 . . . . 49 L HB3 . 16039 1 350 . 1 1 49 49 LEU HD11 H 1 0.661 0.001 . . . . . . 49 L QD1 . 16039 1 351 . 1 1 49 49 LEU HD12 H 1 0.661 0.001 . . . . . . 49 L QD1 . 16039 1 352 . 1 1 49 49 LEU HD13 H 1 0.661 0.001 . . . . . . 49 L QD1 . 16039 1 353 . 1 1 49 49 LEU HD21 H 1 -0.169 0.001 . . . . . . 49 L QD2 . 16039 1 354 . 1 1 49 49 LEU HD22 H 1 -0.169 0.001 . . . . . . 49 L QD2 . 16039 1 355 . 1 1 49 49 LEU HD23 H 1 -0.169 0.001 . . . . . . 49 L QD2 . 16039 1 356 . 1 1 49 49 LEU HG H 1 1.152 0.001 . 1 . . . . 49 L HG . 16039 1 357 . 1 1 49 49 LEU N N 15 120.211 0.001 . 1 . . . . 49 L N . 16039 1 358 . 1 1 50 50 VAL H H 1 8.845 0.001 . 1 . . . . 50 V H . 16039 1 359 . 1 1 50 50 VAL HA H 1 4.984 0.001 . 1 . . . . 50 V HA . 16039 1 360 . 1 1 50 50 VAL HB H 1 1.814 0.001 . 1 . . . . 50 V HB . 16039 1 361 . 1 1 50 50 VAL HG11 H 1 0.789 0.001 . . . . . . 50 V QG1 . 16039 1 362 . 1 1 50 50 VAL HG12 H 1 0.789 0.001 . . . . . . 50 V QG1 . 16039 1 363 . 1 1 50 50 VAL HG13 H 1 0.789 0.001 . . . . . . 50 V QG1 . 16039 1 364 . 1 1 50 50 VAL HG21 H 1 0.766 0.001 . . . . . . 50 V QG2 . 16039 1 365 . 1 1 50 50 VAL HG22 H 1 0.766 0.001 . . . . . . 50 V QG2 . 16039 1 366 . 1 1 50 50 VAL HG23 H 1 0.766 0.001 . . . . . . 50 V QG2 . 16039 1 367 . 1 1 50 50 VAL N N 15 120.501 0.001 . 1 . . . . 50 V N . 16039 1 368 . 1 1 51 51 VAL H H 1 8.969 0.001 . 1 . . . . 51 V H . 16039 1 369 . 1 1 51 51 VAL HA H 1 4.196 0.001 . 1 . . . . 51 V HA . 16039 1 370 . 1 1 51 51 VAL HB H 1 2.201 0.001 . 1 . . . . 51 V HB . 16039 1 371 . 1 1 51 51 VAL HG11 H 1 1.044 0.001 . . . . . . 51 V QG1 . 16039 1 372 . 1 1 51 51 VAL HG12 H 1 1.044 0.001 . . . . . . 51 V QG1 . 16039 1 373 . 1 1 51 51 VAL HG13 H 1 1.044 0.001 . . . . . . 51 V QG1 . 16039 1 374 . 1 1 51 51 VAL HG21 H 1 0.784 0.001 . . . . . . 51 V QG2 . 16039 1 375 . 1 1 51 51 VAL HG22 H 1 0.784 0.001 . . . . . . 51 V QG2 . 16039 1 376 . 1 1 51 51 VAL HG23 H 1 0.784 0.001 . . . . . . 51 V QG2 . 16039 1 377 . 1 1 51 51 VAL N N 15 125.801 0.001 . 1 . . . . 51 V N . 16039 1 378 . 1 1 52 52 LYS H H 1 9.413 0.001 . 1 . . . . 52 K H . 16039 1 379 . 1 1 52 52 LYS HA H 1 4.456 0.001 . 1 . . . . 52 K HA . 16039 1 380 . 1 1 52 52 LYS HB2 H 1 1.706 0.001 . 2 . . . . 52 K HB2 . 16039 1 381 . 1 1 52 52 LYS HB3 H 1 1.521 0.001 . 2 . . . . 52 K HB3 . 16039 1 382 . 1 1 52 52 LYS HD2 H 1 1.346 0.001 . 2 . . . . 52 K HD2 . 16039 1 383 . 1 1 52 52 LYS HE2 H 1 2.981 0.001 . 2 . . . . 52 K HE2 . 16039 1 384 . 1 1 52 52 LYS HG2 H 1 0.997 0.001 . 2 . . . . 52 K HG2 . 16039 1 385 . 1 1 52 52 LYS HG3 H 1 0.976 0.001 . 2 . . . . 52 K HG3 . 16039 1 386 . 1 1 52 52 LYS N N 15 132.361 0.001 . 1 . . . . 52 K N . 16039 1 387 . 1 1 53 53 ARG H H 1 7.989 0.001 . 1 . . . . 53 R H . 16039 1 388 . 1 1 53 53 ARG HA H 1 4.702 0.001 . 1 . . . . 53 R HA . 16039 1 389 . 1 1 53 53 ARG HB2 H 1 1.773 0.001 . 2 . . . . 53 R HB2 . 16039 1 390 . 1 1 53 53 ARG HB3 H 1 1.697 0.001 . 2 . . . . 53 R HB3 . 16039 1 391 . 1 1 53 53 ARG HD2 H 1 3.281 0.001 . 2 . . . . 53 R HD2 . 16039 1 392 . 1 1 53 53 ARG HD3 H 1 3.181 0.001 . 2 . . . . 53 R HD3 . 16039 1 393 . 1 1 53 53 ARG HE H 1 7.181 0.001 . 1 . . . . 53 R HE . 16039 1 394 . 1 1 53 53 ARG HG2 H 1 1.520 0.001 . 2 . . . . 53 R HG2 . 16039 1 395 . 1 1 53 53 ARG HG3 H 1 1.351 0.001 . 2 . . . . 53 R HG3 . 16039 1 396 . 1 1 53 53 ARG N N 15 117.371 0.001 . 1 . . . . 53 R N . 16039 1 397 . 1 1 54 54 GLY H H 1 8.438 0.001 . 1 . . . . 54 G H . 16039 1 398 . 1 1 54 54 GLY HA2 H 1 4.306 0.001 . 2 . . . . 54 G HA2 . 16039 1 399 . 1 1 54 54 GLY HA3 H 1 3.568 0.001 . 2 . . . . 54 G HA3 . 16039 1 400 . 1 1 54 54 GLY N N 15 110.801 0.001 . 1 . . . . 54 G N . 16039 1 401 . 1 1 55 55 PRO HA H 1 4.288 0.001 . 1 . . . . 55 P HA . 16039 1 402 . 1 1 55 55 PRO HB2 H 1 2.303 0.001 . 2 . . . . 55 P HB2 . 16039 1 403 . 1 1 55 55 PRO HB3 H 1 1.873 0.001 . 2 . . . . 55 P HB3 . 16039 1 404 . 1 1 55 55 PRO HD2 H 1 3.881 0.001 . 2 . . . . 55 P HD2 . 16039 1 405 . 1 1 55 55 PRO HD3 H 1 3.781 0.001 . 2 . . . . 55 P HD3 . 16039 1 406 . 1 1 55 55 PRO HG2 H 1 1.992 0.001 . 2 . . . . 55 P HG2 . 16039 1 407 . 1 1 55 55 PRO HG3 H 1 1.965 0.001 . 2 . . . . 55 P HG3 . 16039 1 408 . 1 1 56 56 ASN H H 1 8.212 0.001 . 1 . . . . 56 N H . 16039 1 409 . 1 1 56 56 ASN HA H 1 4.481 0.001 . 1 . . . . 56 N HA . 16039 1 410 . 1 1 56 56 ASN HB2 H 1 3.116 0.001 . 2 . . . . 56 N HB2 . 16039 1 411 . 1 1 56 56 ASN HB3 H 1 2.872 0.001 . 2 . . . . 56 N HB3 . 16039 1 412 . 1 1 56 56 ASN HD21 H 1 7.810 0.001 . 2 . . . . 56 N HD21 . 16039 1 413 . 1 1 56 56 ASN HD22 H 1 5.521 0.001 . 2 . . . . 56 N HD22 . 16039 1 414 . 1 1 56 56 ASN N N 15 114.741 0.001 . 1 . . . . 56 N N . 16039 1 415 . 1 1 56 56 ASN ND2 N 15 104.871 0.001 . 1 . . . . 56 N ND2 . 16039 1 416 . 1 1 57 57 ALA H H 1 7.252 0.001 . 1 . . . . 57 A H . 16039 1 417 . 1 1 57 57 ALA HA H 1 3.619 0.001 . 1 . . . . 57 A HA . 16039 1 418 . 1 1 57 57 ALA HB1 H 1 1.346 0.001 . . . . . . 57 A QB . 16039 1 419 . 1 1 57 57 ALA HB2 H 1 1.346 0.001 . . . . . . 57 A QB . 16039 1 420 . 1 1 57 57 ALA HB3 H 1 1.346 0.001 . . . . . . 57 A QB . 16039 1 421 . 1 1 57 57 ALA N N 15 120.591 0.001 . 1 . . . . 57 A N . 16039 1 422 . 1 1 58 58 GLY H H 1 9.019 0.001 . 1 . . . . 58 G H . 16039 1 423 . 1 1 58 58 GLY HA2 H 1 4.450 0.001 . 2 . . . . 58 G HA2 . 16039 1 424 . 1 1 58 58 GLY HA3 H 1 3.431 0.001 . 2 . . . . 58 G HA3 . 16039 1 425 . 1 1 58 58 GLY N N 15 112.271 0.001 . 1 . . . . 58 G N . 16039 1 426 . 1 1 59 59 ALA H H 1 8.169 0.001 . 1 . . . . 59 A H . 16039 1 427 . 1 1 59 59 ALA HA H 1 4.082 0.001 . 1 . . . . 59 A HA . 16039 1 428 . 1 1 59 59 ALA HB1 H 1 1.289 0.001 . . . . . . 59 A QB . 16039 1 429 . 1 1 59 59 ALA HB2 H 1 1.289 0.001 . . . . . . 59 A QB . 16039 1 430 . 1 1 59 59 ALA HB3 H 1 1.289 0.001 . . . . . . 59 A QB . 16039 1 431 . 1 1 59 59 ALA N N 15 124.601 0.001 . 1 . . . . 59 A N . 16039 1 432 . 1 1 60 60 ARG H H 1 7.722 0.001 . 1 . . . . 60 R H . 16039 1 433 . 1 1 60 60 ARG HA H 1 5.106 0.001 . 1 . . . . 60 R HA . 16039 1 434 . 1 1 60 60 ARG HB2 H 1 1.663 0.001 . 2 . . . . 60 R HB2 . 16039 1 435 . 1 1 60 60 ARG HB3 H 1 1.538 0.001 . 2 . . . . 60 R HB3 . 16039 1 436 . 1 1 60 60 ARG HD2 H 1 3.281 0.001 . 2 . . . . 60 R HD2 . 16039 1 437 . 1 1 60 60 ARG HD3 H 1 3.181 0.001 . 2 . . . . 60 R HD3 . 16039 1 438 . 1 1 60 60 ARG HE H 1 7.181 0.001 . 1 . . . . 60 R HE . 16039 1 439 . 1 1 60 60 ARG HG2 H 1 1.450 0.001 . 2 . . . . 60 R HG2 . 16039 1 440 . 1 1 60 60 ARG HG3 H 1 1.401 0.001 . 2 . . . . 60 R HG3 . 16039 1 441 . 1 1 60 60 ARG N N 15 117.141 0.001 . 1 . . . . 60 R N . 16039 1 442 . 1 1 61 61 PHE H H 1 9.190 0.001 . 1 . . . . 61 F H . 16039 1 443 . 1 1 61 61 PHE HA H 1 4.756 0.001 . 1 . . . . 61 F HA . 16039 1 444 . 1 1 61 61 PHE HB2 H 1 2.954 0.001 . 2 . . . . 61 F HB2 . 16039 1 445 . 1 1 61 61 PHE HB3 H 1 2.550 0.001 . 2 . . . . 61 F HB3 . 16039 1 446 . 1 1 61 61 PHE HD1 H 1 7.060 0.001 . 3 . . . . 61 F QD . 16039 1 447 . 1 1 61 61 PHE HD2 H 1 7.060 0.001 . 3 . . . . 61 F QD . 16039 1 448 . 1 1 61 61 PHE HE1 H 1 6.883 0.001 . 3 . . . . 61 F QE . 16039 1 449 . 1 1 61 61 PHE HE2 H 1 6.883 0.001 . 3 . . . . 61 F QE . 16039 1 450 . 1 1 61 61 PHE HZ H 1 6.786 0.001 . 1 . . . . 61 F HZ . 16039 1 451 . 1 1 61 61 PHE N N 15 121.031 0.001 . 1 . . . . 61 F N . 16039 1 452 . 1 1 62 62 LEU H H 1 8.626 0.001 . 1 . . . . 62 L H . 16039 1 453 . 1 1 62 62 LEU HA H 1 4.549 0.001 . 1 . . . . 62 L HA . 16039 1 454 . 1 1 62 62 LEU HB2 H 1 1.685 0.001 . 2 . . . . 62 L HB2 . 16039 1 455 . 1 1 62 62 LEU HB3 H 1 1.453 0.001 . 2 . . . . 62 L HB3 . 16039 1 456 . 1 1 62 62 LEU HD11 H 1 0.870 0.001 . . . . . . 62 L QD1 . 16039 1 457 . 1 1 62 62 LEU HD12 H 1 0.870 0.001 . . . . . . 62 L QD1 . 16039 1 458 . 1 1 62 62 LEU HD13 H 1 0.870 0.001 . . . . . . 62 L QD1 . 16039 1 459 . 1 1 62 62 LEU HD21 H 1 0.666 0.001 . . . . . . 62 L QD2 . 16039 1 460 . 1 1 62 62 LEU HD22 H 1 0.666 0.001 . . . . . . 62 L QD2 . 16039 1 461 . 1 1 62 62 LEU HD23 H 1 0.666 0.001 . . . . . . 62 L QD2 . 16039 1 462 . 1 1 62 62 LEU HG H 1 1.348 0.001 . 1 . . . . 62 L HG . 16039 1 463 . 1 1 62 62 LEU N N 15 125.611 0.001 . 1 . . . . 62 L N . 16039 1 464 . 1 1 63 63 LEU H H 1 8.932 0.001 . 1 . . . . 63 L H . 16039 1 465 . 1 1 63 63 LEU HA H 1 4.821 0.001 . 1 . . . . 63 L HA . 16039 1 466 . 1 1 63 63 LEU HB2 H 1 1.472 0.001 . 2 . . . . 63 L HB2 . 16039 1 467 . 1 1 63 63 LEU HB3 H 1 1.446 0.001 . 2 . . . . 63 L HB3 . 16039 1 468 . 1 1 63 63 LEU HD11 H 1 0.892 0.001 . . . . . . 63 L QD1 . 16039 1 469 . 1 1 63 63 LEU HD12 H 1 0.892 0.001 . . . . . . 63 L QD1 . 16039 1 470 . 1 1 63 63 LEU HD13 H 1 0.892 0.001 . . . . . . 63 L QD1 . 16039 1 471 . 1 1 63 63 LEU HD21 H 1 0.684 0.001 . . . . . . 63 L QD2 . 16039 1 472 . 1 1 63 63 LEU HD22 H 1 0.684 0.001 . . . . . . 63 L QD2 . 16039 1 473 . 1 1 63 63 LEU HD23 H 1 0.684 0.001 . . . . . . 63 L QD2 . 16039 1 474 . 1 1 63 63 LEU HG H 1 1.353 0.001 . 1 . . . . 63 L HG . 16039 1 475 . 1 1 63 63 LEU N N 15 126.111 0.001 . 1 . . . . 63 L N . 16039 1 476 . 1 1 64 64 ASP H H 1 8.532 0.001 . 1 . . . . 64 D H . 16039 1 477 . 1 1 64 64 ASP HA H 1 4.752 0.001 . 1 . . . . 64 D HA . 16039 1 478 . 1 1 64 64 ASP HB2 H 1 2.825 0.001 . 2 . . . . 64 D HB2 . 16039 1 479 . 1 1 64 64 ASP HB3 H 1 2.470 0.001 . 2 . . . . 64 D HB3 . 16039 1 480 . 1 1 64 64 ASP N N 15 120.991 0.001 . 1 . . . . 64 D N . 16039 1 481 . 1 1 65 65 GLN H H 1 7.459 0.001 . 1 . . . . 65 Q H . 16039 1 482 . 1 1 65 65 GLN HA H 1 4.859 0.001 . 1 . . . . 65 Q HA . 16039 1 483 . 1 1 65 65 GLN HB2 H 1 2.261 0.001 . 2 . . . . 65 Q HB2 . 16039 1 484 . 1 1 65 65 GLN HB3 H 1 1.895 0.001 . 2 . . . . 65 Q HB3 . 16039 1 485 . 1 1 65 65 GLN HE21 H 1 7.652 0.001 . 2 . . . . 65 Q HE21 . 16039 1 486 . 1 1 65 65 GLN HE22 H 1 6.816 0.001 . 2 . . . . 65 Q HE22 . 16039 1 487 . 1 1 65 65 GLN HG2 H 1 2.565 0.001 . 2 . . . . 65 Q HG2 . 16039 1 488 . 1 1 65 65 GLN HG3 H 1 2.372 0.001 . 2 . . . . 65 Q HG3 . 16039 1 489 . 1 1 65 65 GLN N N 15 117.221 0.001 . 1 . . . . 65 Q N . 16039 1 490 . 1 1 65 65 GLN NE2 N 15 113.911 0.001 . 1 . . . . 65 Q NE2 . 16039 1 491 . 1 1 66 66 PRO HA H 1 4.187 0.001 . 1 . . . . 66 P HA . 16039 1 492 . 1 1 66 66 PRO HB2 H 1 2.480 0.001 . 2 . . . . 66 P HB2 . 16039 1 493 . 1 1 66 66 PRO HB3 H 1 2.033 0.001 . 2 . . . . 66 P HB3 . 16039 1 494 . 1 1 66 66 PRO HD2 H 1 3.833 0.001 . 2 . . . . 66 P HD2 . 16039 1 495 . 1 1 66 66 PRO HD3 H 1 3.801 0.001 . 2 . . . . 66 P HD3 . 16039 1 496 . 1 1 66 66 PRO HG2 H 1 2.260 0.001 . 2 . . . . 66 P HG2 . 16039 1 497 . 1 1 66 66 PRO HG3 H 1 2.218 0.001 . 2 . . . . 66 P HG3 . 16039 1 498 . 1 1 67 67 THR H H 1 7.639 0.001 . 1 . . . . 67 T H . 16039 1 499 . 1 1 67 67 THR HA H 1 4.822 0.001 . 1 . . . . 67 T HA . 16039 1 500 . 1 1 67 67 THR HB H 1 3.877 0.001 . 1 . . . . 67 T HB . 16039 1 501 . 1 1 67 67 THR HG21 H 1 1.014 0.001 . . . . . . 67 T QG2 . 16039 1 502 . 1 1 67 67 THR HG22 H 1 1.014 0.001 . . . . . . 67 T QG2 . 16039 1 503 . 1 1 67 67 THR HG23 H 1 1.014 0.001 . . . . . . 67 T QG2 . 16039 1 504 . 1 1 67 67 THR N N 15 109.261 0.001 . 1 . . . . 67 T N . 16039 1 505 . 1 1 68 68 THR H H 1 8.903 0.001 . 1 . . . . 68 T H . 16039 1 506 . 1 1 68 68 THR HA H 1 4.969 0.001 . 1 . . . . 68 T HA . 16039 1 507 . 1 1 68 68 THR HB H 1 4.178 0.001 . 1 . . . . 68 T HB . 16039 1 508 . 1 1 68 68 THR HG21 H 1 1.284 0.001 . . . . . . 68 T QG2 . 16039 1 509 . 1 1 68 68 THR HG22 H 1 1.284 0.001 . . . . . . 68 T QG2 . 16039 1 510 . 1 1 68 68 THR HG23 H 1 1.284 0.001 . . . . . . 68 T QG2 . 16039 1 511 . 1 1 68 68 THR N N 15 125.671 0.001 . 1 . . . . 68 T N . 16039 1 512 . 1 1 69 69 THR H H 1 10.408 0.001 . 1 . . . . 69 T H . 16039 1 513 . 1 1 69 69 THR HA H 1 4.504 0.001 . 1 . . . . 69 T HA . 16039 1 514 . 1 1 69 69 THR HB H 1 4.724 0.001 . 1 . . . . 69 T HB . 16039 1 515 . 1 1 69 69 THR HG21 H 1 1.249 0.001 . . . . . . 69 T QG2 . 16039 1 516 . 1 1 69 69 THR HG22 H 1 1.249 0.001 . . . . . . 69 T QG2 . 16039 1 517 . 1 1 69 69 THR HG23 H 1 1.249 0.001 . . . . . . 69 T QG2 . 16039 1 518 . 1 1 69 69 THR N N 15 121.411 0.001 . 1 . . . . 69 T N . 16039 1 519 . 1 1 70 70 ALA H H 1 8.646 0.001 . 1 . . . . 70 A H . 16039 1 520 . 1 1 70 70 ALA HA H 1 5.724 0.001 . 1 . . . . 70 A HA . 16039 1 521 . 1 1 70 70 ALA HB1 H 1 1.208 0.001 . . . . . . 70 A QB . 16039 1 522 . 1 1 70 70 ALA HB2 H 1 1.208 0.001 . . . . . . 70 A QB . 16039 1 523 . 1 1 70 70 ALA HB3 H 1 1.208 0.001 . . . . . . 70 A QB . 16039 1 524 . 1 1 70 70 ALA N N 15 122.431 0.001 . 1 . . . . 70 A N . 16039 1 525 . 1 1 71 71 GLY H H 1 8.363 0.001 . 1 . . . . 71 G H . 16039 1 526 . 1 1 71 71 GLY HA2 H 1 4.457 0.001 . 2 . . . . 71 G HA2 . 16039 1 527 . 1 1 71 71 GLY HA3 H 1 3.927 0.001 . 2 . . . . 71 G HA3 . 16039 1 528 . 1 1 71 71 GLY N N 15 108.931 0.001 . 1 . . . . 71 G N . 16039 1 529 . 1 1 72 72 ARG H H 1 8.324 0.001 . 1 . . . . 72 R H . 16039 1 530 . 1 1 72 72 ARG HA H 1 4.462 0.001 . 1 . . . . 72 R HA . 16039 1 531 . 1 1 72 72 ARG HB2 H 1 1.800 0.001 . 2 . . . . 72 R HB2 . 16039 1 532 . 1 1 72 72 ARG HB3 H 1 1.585 0.001 . 2 . . . . 72 R HB3 . 16039 1 533 . 1 1 72 72 ARG HD2 H 1 3.281 0.001 . 2 . . . . 72 R HD2 . 16039 1 534 . 1 1 72 72 ARG HD3 H 1 3.181 0.001 . 2 . . . . 72 R HD3 . 16039 1 535 . 1 1 72 72 ARG HE H 1 7.181 0.001 . 1 . . . . 72 R HE . 16039 1 536 . 1 1 72 72 ARG HG2 H 1 1.176 0.001 . 2 . . . . 72 R HG2 . 16039 1 537 . 1 1 72 72 ARG HG3 H 1 1.136 0.001 . 2 . . . . 72 R HG3 . 16039 1 538 . 1 1 72 72 ARG N N 15 120.581 0.001 . 1 . . . . 72 R N . 16039 1 539 . 1 1 73 73 HIS H H 1 9.123 0.001 . 1 . . . . 73 H H . 16039 1 540 . 1 1 73 73 HIS HA H 1 4.287 0.001 . 1 . . . . 73 H HA . 16039 1 541 . 1 1 73 73 HIS HB2 H 1 2.914 0.001 . 2 . . . . 73 H HB2 . 16039 1 542 . 1 1 73 73 HIS HB3 H 1 2.834 0.001 . 2 . . . . 73 H HB3 . 16039 1 543 . 1 1 73 73 HIS HD2 H 1 7.081 0.001 . 1 . . . . 73 H HD2 . 16039 1 544 . 1 1 73 73 HIS HE1 H 1 8.081 0.001 . 1 . . . . 73 H HE1 . 16039 1 545 . 1 1 73 73 HIS N N 15 124.721 0.001 . 1 . . . . 73 H N . 16039 1 546 . 1 1 74 74 PRO HA H 1 3.981 0.001 . 1 . . . . 74 P HA . 16039 1 547 . 1 1 74 74 PRO HB2 H 1 2.381 0.001 . 2 . . . . 74 P HB2 . 16039 1 548 . 1 1 74 74 PRO HB3 H 1 1.881 0.001 . 2 . . . . 74 P HB3 . 16039 1 549 . 1 1 74 74 PRO HD2 H 1 3.881 0.001 . 2 . . . . 74 P HD2 . 16039 1 550 . 1 1 74 74 PRO HD3 H 1 3.781 0.001 . 2 . . . . 74 P HD3 . 16039 1 551 . 1 1 74 74 PRO HG2 H 1 2.281 0.001 . 2 . . . . 74 P HG2 . 16039 1 552 . 1 1 74 74 PRO HG3 H 1 2.181 0.001 . 2 . . . . 74 P HG3 . 16039 1 553 . 1 1 75 75 GLU H H 1 10.736 0.001 . 1 . . . . 75 E H . 16039 1 554 . 1 1 75 75 GLU HA H 1 4.387 0.001 . 1 . . . . 75 E HA . 16039 1 555 . 1 1 75 75 GLU HB2 H 1 1.841 0.001 . 2 . . . . 75 E HB2 . 16039 1 556 . 1 1 75 75 GLU HB3 H 1 1.785 0.001 . 2 . . . . 75 E HB3 . 16039 1 557 . 1 1 75 75 GLU HG2 H 1 2.281 0.001 . 2 . . . . 75 E HG2 . 16039 1 558 . 1 1 75 75 GLU HG3 H 1 2.255 0.001 . 2 . . . . 75 E HG3 . 16039 1 559 . 1 1 75 75 GLU N N 15 119.881 0.001 . 1 . . . . 75 E N . 16039 1 560 . 1 1 76 76 SER H H 1 8.187 0.001 . 1 . . . . 76 S H . 16039 1 561 . 1 1 76 76 SER HA H 1 4.074 0.001 . 1 . . . . 76 S HA . 16039 1 562 . 1 1 76 76 SER HB2 H 1 3.576 0.001 . 2 . . . . 76 S HB2 . 16039 1 563 . 1 1 76 76 SER HB3 H 1 3.542 0.001 . 2 . . . . 76 S HB3 . 16039 1 564 . 1 1 76 76 SER N N 15 118.811 0.001 . 1 . . . . 76 S N . 16039 1 565 . 1 1 77 77 ASP H H 1 8.477 0.001 . 1 . . . . 77 D H . 16039 1 566 . 1 1 77 77 ASP HA H 1 4.359 0.001 . 1 . . . . 77 D HA . 16039 1 567 . 1 1 77 77 ASP HB2 H 1 3.279 0.001 . 2 . . . . 77 D HB2 . 16039 1 568 . 1 1 77 77 ASP HB3 H 1 2.787 0.001 . 2 . . . . 77 D HB3 . 16039 1 569 . 1 1 77 77 ASP N N 15 126.491 0.001 . 1 . . . . 77 D N . 16039 1 570 . 1 1 78 78 ILE H H 1 8.526 0.001 . 1 . . . . 78 I H . 16039 1 571 . 1 1 78 78 ILE HA H 1 3.531 0.001 . 1 . . . . 78 I HA . 16039 1 572 . 1 1 78 78 ILE HB H 1 1.528 0.001 . 1 . . . . 78 I HB . 16039 1 573 . 1 1 78 78 ILE HD11 H 1 -0.459 0.001 . . . . . . 78 I QD1 . 16039 1 574 . 1 1 78 78 ILE HD12 H 1 -0.459 0.001 . . . . . . 78 I QD1 . 16039 1 575 . 1 1 78 78 ILE HD13 H 1 -0.459 0.001 . . . . . . 78 I QD1 . 16039 1 576 . 1 1 78 78 ILE HG12 H 1 1.069 0.001 . 2 . . . . 78 I HG12 . 16039 1 577 . 1 1 78 78 ILE HG13 H 1 0.291 0.001 . 2 . . . . 78 I HG13 . 16039 1 578 . 1 1 78 78 ILE HG21 H 1 0.191 0.001 . . . . . . 78 I QG2 . 16039 1 579 . 1 1 78 78 ILE HG22 H 1 0.191 0.001 . . . . . . 78 I QG2 . 16039 1 580 . 1 1 78 78 ILE HG23 H 1 0.191 0.001 . . . . . . 78 I QG2 . 16039 1 581 . 1 1 78 78 ILE N N 15 119.971 0.001 . 1 . . . . 78 I N . 16039 1 582 . 1 1 79 79 PHE H H 1 8.057 0.001 . 1 . . . . 79 F H . 16039 1 583 . 1 1 79 79 PHE HA H 1 5.019 0.001 . 1 . . . . 79 F HA . 16039 1 584 . 1 1 79 79 PHE HB2 H 1 3.011 0.001 . 2 . . . . 79 F HB2 . 16039 1 585 . 1 1 79 79 PHE HB3 H 1 2.981 0.001 . 2 . . . . 79 F HB3 . 16039 1 586 . 1 1 79 79 PHE HD1 H 1 7.213 0.001 . 3 . . . . 79 F QD . 16039 1 587 . 1 1 79 79 PHE HD2 H 1 7.213 0.001 . 3 . . . . 79 F QD . 16039 1 588 . 1 1 79 79 PHE HE1 H 1 7.073 0.001 . 3 . . . . 79 F QE . 16039 1 589 . 1 1 79 79 PHE HE2 H 1 7.073 0.001 . 3 . . . . 79 F QE . 16039 1 590 . 1 1 79 79 PHE HZ H 1 6.860 0.001 . 1 . . . . 79 F HZ . 16039 1 591 . 1 1 79 79 PHE N N 15 127.121 0.001 . 1 . . . . 79 F N . 16039 1 592 . 1 1 80 80 LEU H H 1 7.705 0.001 . 1 . . . . 80 L H . 16039 1 593 . 1 1 80 80 LEU HA H 1 3.620 0.001 . 1 . . . . 80 L HA . 16039 1 594 . 1 1 80 80 LEU HB2 H 1 1.189 0.001 . 2 . . . . 80 L HB2 . 16039 1 595 . 1 1 80 80 LEU HB3 H 1 1.045 0.001 . 2 . . . . 80 L HB3 . 16039 1 596 . 1 1 80 80 LEU HD11 H 1 0.068 0.001 . . . . . . 80 L QD1 . 16039 1 597 . 1 1 80 80 LEU HD12 H 1 0.068 0.001 . . . . . . 80 L QD1 . 16039 1 598 . 1 1 80 80 LEU HD13 H 1 0.068 0.001 . . . . . . 80 L QD1 . 16039 1 599 . 1 1 80 80 LEU HD21 H 1 -0.239 0.001 . . . . . . 80 L QD2 . 16039 1 600 . 1 1 80 80 LEU HD22 H 1 -0.239 0.001 . . . . . . 80 L QD2 . 16039 1 601 . 1 1 80 80 LEU HD23 H 1 -0.239 0.001 . . . . . . 80 L QD2 . 16039 1 602 . 1 1 80 80 LEU HG H 1 0.291 0.001 . 1 . . . . 80 L HG . 16039 1 603 . 1 1 80 80 LEU N N 15 132.171 0.001 . 1 . . . . 80 L N . 16039 1 604 . 1 1 81 81 ASP H H 1 7.932 0.001 . 1 . . . . 81 D H . 16039 1 605 . 1 1 81 81 ASP HA H 1 4.249 0.001 . 1 . . . . 81 D HA . 16039 1 606 . 1 1 81 81 ASP HB2 H 1 2.654 0.001 . 2 . . . . 81 D HB2 . 16039 1 607 . 1 1 81 81 ASP HB3 H 1 1.625 0.001 . 2 . . . . 81 D HB3 . 16039 1 608 . 1 1 81 81 ASP N N 15 120.101 0.001 . 1 . . . . 81 D N . 16039 1 609 . 1 1 82 82 ASP H H 1 7.481 0.001 . 1 . . . . 82 D H . 16039 1 610 . 1 1 82 82 ASP HA H 1 4.867 0.001 . 1 . . . . 82 D HA . 16039 1 611 . 1 1 82 82 ASP HB2 H 1 2.831 0.001 . 2 . . . . 82 D HB2 . 16039 1 612 . 1 1 82 82 ASP HB3 H 1 2.420 0.001 . 2 . . . . 82 D HB3 . 16039 1 613 . 1 1 82 82 ASP N N 15 121.631 0.001 . 1 . . . . 82 D N . 16039 1 614 . 1 1 83 83 VAL H H 1 8.304 0.001 . 1 . . . . 83 V H . 16039 1 615 . 1 1 83 83 VAL HA H 1 4.061 0.001 . 1 . . . . 83 V HA . 16039 1 616 . 1 1 83 83 VAL HB H 1 2.259 0.001 . 1 . . . . 83 V HB . 16039 1 617 . 1 1 83 83 VAL HG11 H 1 1.346 0.001 . . . . . . 83 V QG1 . 16039 1 618 . 1 1 83 83 VAL HG12 H 1 1.346 0.001 . . . . . . 83 V QG1 . 16039 1 619 . 1 1 83 83 VAL HG13 H 1 1.346 0.001 . . . . . . 83 V QG1 . 16039 1 620 . 1 1 83 83 VAL HG21 H 1 1.013 0.001 . . . . . . 83 V QG2 . 16039 1 621 . 1 1 83 83 VAL HG22 H 1 1.013 0.001 . . . . . . 83 V QG2 . 16039 1 622 . 1 1 83 83 VAL HG23 H 1 1.013 0.001 . . . . . . 83 V QG2 . 16039 1 623 . 1 1 83 83 VAL N N 15 121.461 0.001 . 1 . . . . 83 V N . 16039 1 624 . 1 1 84 84 THR H H 1 8.321 0.001 . 1 . . . . 84 T H . 16039 1 625 . 1 1 84 84 THR HA H 1 4.096 0.001 . 1 . . . . 84 T HA . 16039 1 626 . 1 1 84 84 THR HB H 1 4.370 0.001 . 1 . . . . 84 T HB . 16039 1 627 . 1 1 84 84 THR HG21 H 1 1.311 0.001 . . . . . . 84 T QG2 . 16039 1 628 . 1 1 84 84 THR HG22 H 1 1.311 0.001 . . . . . . 84 T QG2 . 16039 1 629 . 1 1 84 84 THR HG23 H 1 1.311 0.001 . . . . . . 84 T QG2 . 16039 1 630 . 1 1 84 84 THR N N 15 111.461 0.001 . 1 . . . . 84 T N . 16039 1 631 . 1 1 85 85 VAL H H 1 8.200 0.001 . 1 . . . . 85 V H . 16039 1 632 . 1 1 85 85 VAL HA H 1 4.513 0.001 . 1 . . . . 85 V HA . 16039 1 633 . 1 1 85 85 VAL HB H 1 2.452 0.001 . 1 . . . . 85 V HB . 16039 1 634 . 1 1 85 85 VAL HG11 H 1 1.166 0.001 . . . . . . 85 V QG1 . 16039 1 635 . 1 1 85 85 VAL HG12 H 1 1.166 0.001 . . . . . . 85 V QG1 . 16039 1 636 . 1 1 85 85 VAL HG13 H 1 1.166 0.001 . . . . . . 85 V QG1 . 16039 1 637 . 1 1 85 85 VAL HG21 H 1 1.011 0.001 . . . . . . 85 V QG2 . 16039 1 638 . 1 1 85 85 VAL HG22 H 1 1.011 0.001 . . . . . . 85 V QG2 . 16039 1 639 . 1 1 85 85 VAL HG23 H 1 1.011 0.001 . . . . . . 85 V QG2 . 16039 1 640 . 1 1 85 85 VAL N N 15 125.621 0.001 . 1 . . . . 85 V N . 16039 1 641 . 1 1 86 86 SER H H 1 11.385 0.001 . 1 . . . . 86 S H . 16039 1 642 . 1 1 86 86 SER HA H 1 4.685 0.001 . 1 . . . . 86 S HA . 16039 1 643 . 1 1 86 86 SER HB2 H 1 3.881 0.001 . 2 . . . . 86 S HB2 . 16039 1 644 . 1 1 86 86 SER HB3 H 1 3.781 0.001 . 2 . . . . 86 S HB3 . 16039 1 645 . 1 1 86 86 SER N N 15 126.881 0.001 . 1 . . . . 86 S N . 16039 1 646 . 1 1 87 87 ARG HA H 1 3.981 0.001 . 1 . . . . 87 R HA . 16039 1 647 . 1 1 87 87 ARG HB2 H 1 1.881 0.001 . 2 . . . . 87 R HB2 . 16039 1 648 . 1 1 87 87 ARG HB3 H 1 1.781 0.001 . 2 . . . . 87 R HB3 . 16039 1 649 . 1 1 87 87 ARG HD2 H 1 3.281 0.001 . 2 . . . . 87 R HD2 . 16039 1 650 . 1 1 87 87 ARG HD3 H 1 3.181 0.001 . 2 . . . . 87 R HD3 . 16039 1 651 . 1 1 87 87 ARG HE H 1 7.181 0.001 . 1 . . . . 87 R HE . 16039 1 652 . 1 1 87 87 ARG HG2 H 1 1.681 0.001 . 2 . . . . 87 R HG2 . 16039 1 653 . 1 1 87 87 ARG HG3 H 1 1.581 0.001 . 2 . . . . 87 R HG3 . 16039 1 654 . 1 1 88 88 ARG H H 1 7.824 0.001 . 1 . . . . 88 R H . 16039 1 655 . 1 1 88 88 ARG HA H 1 4.469 0.001 . 1 . . . . 88 R HA . 16039 1 656 . 1 1 88 88 ARG HB2 H 1 1.834 0.001 . 2 . . . . 88 R HB2 . 16039 1 657 . 1 1 88 88 ARG HB3 H 1 1.800 0.001 . 2 . . . . 88 R HB3 . 16039 1 658 . 1 1 88 88 ARG HD2 H 1 3.281 0.001 . 2 . . . . 88 R HD2 . 16039 1 659 . 1 1 88 88 ARG HD3 H 1 3.181 0.001 . 2 . . . . 88 R HD3 . 16039 1 660 . 1 1 88 88 ARG HE H 1 7.181 0.001 . 1 . . . . 88 R HE . 16039 1 661 . 1 1 88 88 ARG HG2 H 1 1.598 0.001 . 2 . . . . 88 R HG2 . 16039 1 662 . 1 1 88 88 ARG HG3 H 1 1.563 0.001 . 2 . . . . 88 R HG3 . 16039 1 663 . 1 1 88 88 ARG N N 15 115.011 0.001 . 1 . . . . 88 R N . 16039 1 664 . 1 1 89 89 HIS H H 1 7.780 0.001 . 1 . . . . 89 H H . 16039 1 665 . 1 1 89 89 HIS HA H 1 4.441 0.001 . 1 . . . . 89 H HA . 16039 1 666 . 1 1 89 89 HIS HB2 H 1 3.179 0.001 . 2 . . . . 89 H HB2 . 16039 1 667 . 1 1 89 89 HIS HB3 H 1 3.150 0.001 . 2 . . . . 89 H HB3 . 16039 1 668 . 1 1 89 89 HIS HD2 H 1 6.809 0.001 . 1 . . . . 89 H HD2 . 16039 1 669 . 1 1 89 89 HIS HE1 H 1 7.985 0.001 . 1 . . . . 89 H HE1 . 16039 1 670 . 1 1 89 89 HIS HE2 H 1 10.941 0.001 . 1 . . . . 89 H HE2 . 16039 1 671 . 1 1 89 89 HIS N N 15 124.331 0.001 . 1 . . . . 89 H N . 16039 1 672 . 1 1 89 89 HIS NE2 N 15 168.311 0.001 . 1 . . . . 89 H NE2 . 16039 1 673 . 1 1 90 90 ALA H H 1 8.439 0.001 . 1 . . . . 90 A H . 16039 1 674 . 1 1 90 90 ALA HA H 1 5.537 0.001 . 1 . . . . 90 A HA . 16039 1 675 . 1 1 90 90 ALA HB1 H 1 1.099 0.001 . . . . . . 90 A QB . 16039 1 676 . 1 1 90 90 ALA HB2 H 1 1.099 0.001 . . . . . . 90 A QB . 16039 1 677 . 1 1 90 90 ALA HB3 H 1 1.099 0.001 . . . . . . 90 A QB . 16039 1 678 . 1 1 90 90 ALA N N 15 116.501 0.001 . 1 . . . . 90 A N . 16039 1 679 . 1 1 91 91 GLU H H 1 9.182 0.001 . 1 . . . . 91 E H . 16039 1 680 . 1 1 91 91 GLU HA H 1 4.932 0.001 . 1 . . . . 91 E HA . 16039 1 681 . 1 1 91 91 GLU HB2 H 1 1.694 0.001 . 2 . . . . 91 E HB2 . 16039 1 682 . 1 1 91 91 GLU HB3 H 1 1.534 0.001 . 2 . . . . 91 E HB3 . 16039 1 683 . 1 1 91 91 GLU HG2 H 1 2.115 0.001 . 2 . . . . 91 E HG2 . 16039 1 684 . 1 1 91 91 GLU HG3 H 1 2.073 0.001 . 2 . . . . 91 E HG3 . 16039 1 685 . 1 1 91 91 GLU N N 15 118.311 0.001 . 1 . . . . 91 E N . 16039 1 686 . 1 1 92 92 PHE H H 1 9.293 0.001 . 1 . . . . 92 F H . 16039 1 687 . 1 1 92 92 PHE HA H 1 5.509 0.001 . 1 . . . . 92 F HA . 16039 1 688 . 1 1 92 92 PHE HB2 H 1 2.909 0.001 . 2 . . . . 92 F HB2 . 16039 1 689 . 1 1 92 92 PHE HB3 H 1 2.889 0.001 . 2 . . . . 92 F HB3 . 16039 1 690 . 1 1 92 92 PHE HD1 H 1 6.955 0.001 . 3 . . . . 92 F QD . 16039 1 691 . 1 1 92 92 PHE HD2 H 1 6.955 0.001 . 3 . . . . 92 F QD . 16039 1 692 . 1 1 92 92 PHE HE1 H 1 6.737 0.001 . 3 . . . . 92 F QE . 16039 1 693 . 1 1 92 92 PHE HE2 H 1 6.737 0.001 . 3 . . . . 92 F QE . 16039 1 694 . 1 1 92 92 PHE HZ H 1 6.673 0.001 . 1 . . . . 92 F HZ . 16039 1 695 . 1 1 92 92 PHE N N 15 119.371 0.001 . 1 . . . . 92 F N . 16039 1 696 . 1 1 93 93 ARG H H 1 9.844 0.001 . 1 . . . . 93 R H . 16039 1 697 . 1 1 93 93 ARG HA H 1 5.626 0.001 . 1 . . . . 93 R HA . 16039 1 698 . 1 1 93 93 ARG HB2 H 1 1.932 0.001 . 2 . . . . 93 R HB2 . 16039 1 699 . 1 1 93 93 ARG HB3 H 1 1.707 0.001 . 2 . . . . 93 R HB3 . 16039 1 700 . 1 1 93 93 ARG HD2 H 1 3.281 0.001 . 2 . . . . 93 R HD2 . 16039 1 701 . 1 1 93 93 ARG HD3 H 1 3.181 0.001 . 2 . . . . 93 R HD3 . 16039 1 702 . 1 1 93 93 ARG HE H 1 7.181 0.001 . 1 . . . . 93 R HE . 16039 1 703 . 1 1 93 93 ARG HG2 H 1 1.681 0.001 . 2 . . . . 93 R HG2 . 16039 1 704 . 1 1 93 93 ARG HG3 H 1 1.426 0.001 . 2 . . . . 93 R HG3 . 16039 1 705 . 1 1 93 93 ARG N N 15 127.301 0.001 . 1 . . . . 93 R N . 16039 1 706 . 1 1 94 94 ILE H H 1 8.466 0.001 . 1 . . . . 94 I H . 16039 1 707 . 1 1 94 94 ILE HA H 1 4.396 0.001 . 1 . . . . 94 I HA . 16039 1 708 . 1 1 94 94 ILE HB H 1 1.943 0.001 . 1 . . . . 94 I HB . 16039 1 709 . 1 1 94 94 ILE HD11 H 1 0.280 0.001 . . . . . . 94 I QD1 . 16039 1 710 . 1 1 94 94 ILE HD12 H 1 0.280 0.001 . . . . . . 94 I QD1 . 16039 1 711 . 1 1 94 94 ILE HD13 H 1 0.280 0.001 . . . . . . 94 I QD1 . 16039 1 712 . 1 1 94 94 ILE HG12 H 1 1.410 0.001 . 2 . . . . 94 I HG12 . 16039 1 713 . 1 1 94 94 ILE HG13 H 1 1.370 0.001 . 2 . . . . 94 I HG13 . 16039 1 714 . 1 1 94 94 ILE HG21 H 1 0.554 0.001 . . . . . . 94 I QG2 . 16039 1 715 . 1 1 94 94 ILE HG22 H 1 0.554 0.001 . . . . . . 94 I QG2 . 16039 1 716 . 1 1 94 94 ILE HG23 H 1 0.554 0.001 . . . . . . 94 I QG2 . 16039 1 717 . 1 1 94 94 ILE N N 15 121.591 0.001 . 1 . . . . 94 I N . 16039 1 718 . 1 1 95 95 ASN H H 1 8.823 0.001 . 1 . . . . 95 N H . 16039 1 719 . 1 1 95 95 ASN HA H 1 4.802 0.001 . 1 . . . . 95 N HA . 16039 1 720 . 1 1 95 95 ASN HB2 H 1 2.644 0.001 . 2 . . . . 95 N HB2 . 16039 1 721 . 1 1 95 95 ASN HB3 H 1 2.455 0.001 . 2 . . . . 95 N HB3 . 16039 1 722 . 1 1 95 95 ASN HD21 H 1 7.800 0.001 . 2 . . . . 95 N HD21 . 16039 1 723 . 1 1 95 95 ASN HD22 H 1 6.630 0.001 . 2 . . . . 95 N HD22 . 16039 1 724 . 1 1 95 95 ASN N N 15 127.081 0.001 . 1 . . . . 95 N N . 16039 1 725 . 1 1 95 95 ASN ND2 N 15 113.401 0.001 . 1 . . . . 95 N ND2 . 16039 1 726 . 1 1 96 96 GLU H H 1 9.272 0.001 . 1 . . . . 96 E H . 16039 1 727 . 1 1 96 96 GLU HA H 1 3.769 0.001 . 1 . . . . 96 E HA . 16039 1 728 . 1 1 96 96 GLU HB2 H 1 1.904 0.001 . 2 . . . . 96 E HB2 . 16039 1 729 . 1 1 96 96 GLU HB3 H 1 1.800 0.001 . 2 . . . . 96 E HB3 . 16039 1 730 . 1 1 96 96 GLU HG2 H 1 2.250 0.001 . 2 . . . . 96 E HG2 . 16039 1 731 . 1 1 96 96 GLU HG3 H 1 2.129 0.001 . 2 . . . . 96 E HG3 . 16039 1 732 . 1 1 96 96 GLU N N 15 125.121 0.001 . 1 . . . . 96 E N . 16039 1 733 . 1 1 97 97 GLY H H 1 7.927 0.001 . 1 . . . . 97 G H . 16039 1 734 . 1 1 97 97 GLY HA2 H 1 4.050 0.001 . 2 . . . . 97 G HA2 . 16039 1 735 . 1 1 97 97 GLY HA3 H 1 3.464 0.001 . 2 . . . . 97 G HA3 . 16039 1 736 . 1 1 97 97 GLY N N 15 104.431 0.001 . 1 . . . . 97 G N . 16039 1 737 . 1 1 98 98 GLU H H 1 7.531 0.001 . 1 . . . . 98 E H . 16039 1 738 . 1 1 98 98 GLU HA H 1 4.600 0.001 . 1 . . . . 98 E HA . 16039 1 739 . 1 1 98 98 GLU HB2 H 1 2.073 0.001 . 2 . . . . 98 E HB2 . 16039 1 740 . 1 1 98 98 GLU HB3 H 1 1.936 0.001 . 2 . . . . 98 E HB3 . 16039 1 741 . 1 1 98 98 GLU HG2 H 1 2.281 0.001 . 2 . . . . 98 E HG2 . 16039 1 742 . 1 1 98 98 GLU HG3 H 1 2.132 0.001 . 2 . . . . 98 E HG3 . 16039 1 743 . 1 1 98 98 GLU N N 15 119.321 0.001 . 1 . . . . 98 E N . 16039 1 744 . 1 1 99 99 PHE H H 1 9.371 0.001 . 1 . . . . 99 F H . 16039 1 745 . 1 1 99 99 PHE HA H 1 5.018 0.001 . 1 . . . . 99 F HA . 16039 1 746 . 1 1 99 99 PHE HB2 H 1 2.883 0.001 . 2 . . . . 99 F HB2 . 16039 1 747 . 1 1 99 99 PHE HB3 H 1 2.392 0.001 . 2 . . . . 99 F HB3 . 16039 1 748 . 1 1 99 99 PHE HD1 H 1 7.235 0.001 . 3 . . . . 99 F QD . 16039 1 749 . 1 1 99 99 PHE HD2 H 1 7.235 0.001 . 3 . . . . 99 F QD . 16039 1 750 . 1 1 99 99 PHE HE1 H 1 6.987 0.001 . 3 . . . . 99 F QE . 16039 1 751 . 1 1 99 99 PHE HE2 H 1 6.987 0.001 . 3 . . . . 99 F QE . 16039 1 752 . 1 1 99 99 PHE HZ H 1 6.898 0.001 . 1 . . . . 99 F HZ . 16039 1 753 . 1 1 99 99 PHE N N 15 122.401 0.001 . 1 . . . . 99 F N . 16039 1 754 . 1 1 100 100 GLU H H 1 9.424 0.001 . 1 . . . . 100 E H . 16039 1 755 . 1 1 100 100 GLU HA H 1 5.146 0.001 . 1 . . . . 100 E HA . 16039 1 756 . 1 1 100 100 GLU HB2 H 1 1.872 0.001 . 2 . . . . 100 E HB2 . 16039 1 757 . 1 1 100 100 GLU HB3 H 1 1.681 0.001 . 2 . . . . 100 E HB3 . 16039 1 758 . 1 1 100 100 GLU HG2 H 1 1.970 0.001 . 2 . . . . 100 E HG2 . 16039 1 759 . 1 1 100 100 GLU HG3 H 1 1.936 0.001 . 2 . . . . 100 E HG3 . 16039 1 760 . 1 1 100 100 GLU N N 15 124.141 0.001 . 1 . . . . 100 E N . 16039 1 761 . 1 1 101 101 VAL H H 1 8.722 0.001 . 1 . . . . 101 V H . 16039 1 762 . 1 1 101 101 VAL HA H 1 4.957 0.001 . 1 . . . . 101 V HA . 16039 1 763 . 1 1 101 101 VAL HB H 1 2.145 0.001 . 1 . . . . 101 V HB . 16039 1 764 . 1 1 101 101 VAL HG11 H 1 0.811 0.001 . . . . . . 101 V QG1 . 16039 1 765 . 1 1 101 101 VAL HG12 H 1 0.811 0.001 . . . . . . 101 V QG1 . 16039 1 766 . 1 1 101 101 VAL HG13 H 1 0.811 0.001 . . . . . . 101 V QG1 . 16039 1 767 . 1 1 101 101 VAL HG21 H 1 0.219 0.001 . . . . . . 101 V QG2 . 16039 1 768 . 1 1 101 101 VAL HG22 H 1 0.219 0.001 . . . . . . 101 V QG2 . 16039 1 769 . 1 1 101 101 VAL HG23 H 1 0.219 0.001 . . . . . . 101 V QG2 . 16039 1 770 . 1 1 101 101 VAL N N 15 124.431 0.001 . 1 . . . . 101 V N . 16039 1 771 . 1 1 102 102 VAL H H 1 8.698 0.001 . 1 . . . . 102 V H . 16039 1 772 . 1 1 102 102 VAL HA H 1 4.597 0.001 . 1 . . . . 102 V HA . 16039 1 773 . 1 1 102 102 VAL HB H 1 1.692 0.001 . 1 . . . . 102 V HB . 16039 1 774 . 1 1 102 102 VAL HG11 H 1 0.767 0.001 . . . . . . 102 V QG1 . 16039 1 775 . 1 1 102 102 VAL HG12 H 1 0.767 0.001 . . . . . . 102 V QG1 . 16039 1 776 . 1 1 102 102 VAL HG13 H 1 0.767 0.001 . . . . . . 102 V QG1 . 16039 1 777 . 1 1 102 102 VAL HG21 H 1 0.671 0.001 . . . . . . 102 V QG2 . 16039 1 778 . 1 1 102 102 VAL HG22 H 1 0.671 0.001 . . . . . . 102 V QG2 . 16039 1 779 . 1 1 102 102 VAL HG23 H 1 0.671 0.001 . . . . . . 102 V QG2 . 16039 1 780 . 1 1 102 102 VAL N N 15 125.711 0.001 . 1 . . . . 102 V N . 16039 1 781 . 1 1 103 103 ASP H H 1 8.586 0.001 . 1 . . . . 103 D H . 16039 1 782 . 1 1 103 103 ASP HA H 1 4.887 0.001 . 1 . . . . 103 D HA . 16039 1 783 . 1 1 103 103 ASP HB2 H 1 2.966 0.001 . 2 . . . . 103 D HB2 . 16039 1 784 . 1 1 103 103 ASP HB3 H 1 2.457 0.001 . 2 . . . . 103 D HB3 . 16039 1 785 . 1 1 103 103 ASP N N 15 127.021 0.001 . 1 . . . . 103 D N . 16039 1 786 . 1 1 104 104 VAL H H 1 7.845 0.001 . 1 . . . . 104 V H . 16039 1 787 . 1 1 104 104 VAL HA H 1 4.542 0.001 . 1 . . . . 104 V HA . 16039 1 788 . 1 1 104 104 VAL HB H 1 2.340 0.001 . 1 . . . . 104 V HB . 16039 1 789 . 1 1 104 104 VAL HG11 H 1 0.609 0.001 . . . . . . 104 V QG1 . 16039 1 790 . 1 1 104 104 VAL HG12 H 1 0.609 0.001 . . . . . . 104 V QG1 . 16039 1 791 . 1 1 104 104 VAL HG13 H 1 0.609 0.001 . . . . . . 104 V QG1 . 16039 1 792 . 1 1 104 104 VAL HG21 H 1 0.406 0.001 . . . . . . 104 V QG2 . 16039 1 793 . 1 1 104 104 VAL HG22 H 1 0.406 0.001 . . . . . . 104 V QG2 . 16039 1 794 . 1 1 104 104 VAL HG23 H 1 0.406 0.001 . . . . . . 104 V QG2 . 16039 1 795 . 1 1 104 104 VAL N N 15 119.201 0.001 . 1 . . . . 104 V N . 16039 1 796 . 1 1 105 105 GLY H H 1 8.626 0.001 . 1 . . . . 105 G H . 16039 1 797 . 1 1 105 105 GLY HA2 H 1 4.255 0.001 . 2 . . . . 105 G HA2 . 16039 1 798 . 1 1 105 105 GLY HA3 H 1 3.694 0.001 . 2 . . . . 105 G HA3 . 16039 1 799 . 1 1 105 105 GLY N N 15 111.661 0.001 . 1 . . . . 105 G N . 16039 1 800 . 1 1 106 106 SER H H 1 9.140 0.001 . 1 . . . . 106 S H . 16039 1 801 . 1 1 106 106 SER HA H 1 3.885 0.001 . 1 . . . . 106 S HA . 16039 1 802 . 1 1 106 106 SER HB2 H 1 3.393 0.001 . 2 . . . . 106 S HB2 . 16039 1 803 . 1 1 106 106 SER HB3 H 1 2.937 0.001 . 2 . . . . 106 S HB3 . 16039 1 804 . 1 1 106 106 SER N N 15 121.161 0.001 . 1 . . . . 106 S N . 16039 1 805 . 1 1 107 107 LEU H H 1 7.680 0.001 . 1 . . . . 107 L H . 16039 1 806 . 1 1 107 107 LEU HA H 1 4.248 0.001 . 1 . . . . 107 L HA . 16039 1 807 . 1 1 107 107 LEU HB2 H 1 1.722 0.001 . 2 . . . . 107 L HB2 . 16039 1 808 . 1 1 107 107 LEU HB3 H 1 1.575 0.001 . 2 . . . . 107 L HB3 . 16039 1 809 . 1 1 107 107 LEU HD11 H 1 0.925 0.001 . . . . . . 107 L QD1 . 16039 1 810 . 1 1 107 107 LEU HD12 H 1 0.925 0.001 . . . . . . 107 L QD1 . 16039 1 811 . 1 1 107 107 LEU HD13 H 1 0.925 0.001 . . . . . . 107 L QD1 . 16039 1 812 . 1 1 107 107 LEU HD21 H 1 0.884 0.001 . . . . . . 107 L QD2 . 16039 1 813 . 1 1 107 107 LEU HD22 H 1 0.884 0.001 . . . . . . 107 L QD2 . 16039 1 814 . 1 1 107 107 LEU HD23 H 1 0.884 0.001 . . . . . . 107 L QD2 . 16039 1 815 . 1 1 107 107 LEU HG H 1 1.481 0.001 . 1 . . . . 107 L HG . 16039 1 816 . 1 1 107 107 LEU N N 15 120.721 0.001 . 1 . . . . 107 L N . 16039 1 817 . 1 1 108 108 ASN H H 1 8.441 0.001 . 1 . . . . 108 N H . 16039 1 818 . 1 1 108 108 ASN HA H 1 4.896 0.001 . 1 . . . . 108 N HA . 16039 1 819 . 1 1 108 108 ASN HB2 H 1 3.173 0.001 . 2 . . . . 108 N HB2 . 16039 1 820 . 1 1 108 108 ASN HB3 H 1 2.943 0.001 . 2 . . . . 108 N HB3 . 16039 1 821 . 1 1 108 108 ASN HD21 H 1 8.073 0.001 . 2 . . . . 108 N HD21 . 16039 1 822 . 1 1 108 108 ASN HD22 H 1 7.437 0.001 . 2 . . . . 108 N HD22 . 16039 1 823 . 1 1 108 108 ASN N N 15 112.641 0.001 . 1 . . . . 108 N N . 16039 1 824 . 1 1 108 108 ASN ND2 N 15 114.051 0.001 . 1 . . . . 108 N ND2 . 16039 1 825 . 1 1 109 109 GLY H H 1 7.910 0.001 . 1 . . . . 109 G H . 16039 1 826 . 1 1 109 109 GLY HA2 H 1 4.192 0.001 . 2 . . . . 109 G HA2 . 16039 1 827 . 1 1 109 109 GLY HA3 H 1 3.599 0.001 . 2 . . . . 109 G HA3 . 16039 1 828 . 1 1 109 109 GLY N N 15 109.831 0.001 . 1 . . . . 109 G N . 16039 1 829 . 1 1 110 110 THR H H 1 8.737 0.001 . 1 . . . . 110 T H . 16039 1 830 . 1 1 110 110 THR HA H 1 4.798 0.001 . 1 . . . . 110 T HA . 16039 1 831 . 1 1 110 110 THR HB H 1 3.861 0.001 . 1 . . . . 110 T HB . 16039 1 832 . 1 1 110 110 THR HG21 H 1 0.906 0.001 . . . . . . 110 T QG2 . 16039 1 833 . 1 1 110 110 THR HG22 H 1 0.906 0.001 . . . . . . 110 T QG2 . 16039 1 834 . 1 1 110 110 THR HG23 H 1 0.906 0.001 . . . . . . 110 T QG2 . 16039 1 835 . 1 1 110 110 THR N N 15 121.591 0.001 . 1 . . . . 110 T N . 16039 1 836 . 1 1 111 111 TYR H H 1 8.225 0.001 . 1 . . . . 111 Y H . 16039 1 837 . 1 1 111 111 TYR HA H 1 5.188 0.001 . 1 . . . . 111 Y HA . 16039 1 838 . 1 1 111 111 TYR HB2 H 1 3.033 0.001 . 2 . . . . 111 Y HB2 . 16039 1 839 . 1 1 111 111 TYR HB3 H 1 2.316 0.001 . 2 . . . . 111 Y HB3 . 16039 1 840 . 1 1 111 111 TYR HD1 H 1 6.709 0.001 . 3 . . . . 111 Y QD . 16039 1 841 . 1 1 111 111 TYR HD2 H 1 6.709 0.001 . 3 . . . . 111 Y QD . 16039 1 842 . 1 1 111 111 TYR HE1 H 1 6.468 0.001 . 3 . . . . 111 Y QE . 16039 1 843 . 1 1 111 111 TYR HE2 H 1 6.468 0.001 . 3 . . . . 111 Y QE . 16039 1 844 . 1 1 111 111 TYR N N 15 123.311 0.001 . 1 . . . . 111 Y N . 16039 1 845 . 1 1 112 112 VAL H H 1 9.015 0.001 . 1 . . . . 112 V H . 16039 1 846 . 1 1 112 112 VAL HA H 1 4.952 0.001 . 1 . . . . 112 V HA . 16039 1 847 . 1 1 112 112 VAL HB H 1 1.823 0.001 . 1 . . . . 112 V HB . 16039 1 848 . 1 1 112 112 VAL HG11 H 1 0.790 0.001 . . . . . . 112 V QG1 . 16039 1 849 . 1 1 112 112 VAL HG12 H 1 0.790 0.001 . . . . . . 112 V QG1 . 16039 1 850 . 1 1 112 112 VAL HG13 H 1 0.790 0.001 . . . . . . 112 V QG1 . 16039 1 851 . 1 1 112 112 VAL HG21 H 1 0.681 0.001 . . . . . . 112 V QG2 . 16039 1 852 . 1 1 112 112 VAL HG22 H 1 0.681 0.001 . . . . . . 112 V QG2 . 16039 1 853 . 1 1 112 112 VAL HG23 H 1 0.681 0.001 . . . . . . 112 V QG2 . 16039 1 854 . 1 1 112 112 VAL N N 15 121.091 0.001 . 1 . . . . 112 V N . 16039 1 855 . 1 1 113 113 ASN H H 1 10.249 0.001 . 1 . . . . 113 N H . 16039 1 856 . 1 1 113 113 ASN HA H 1 4.484 0.001 . 1 . . . . 113 N HA . 16039 1 857 . 1 1 113 113 ASN HB2 H 1 3.048 0.001 . 2 . . . . 113 N HB2 . 16039 1 858 . 1 1 113 113 ASN HB3 H 1 2.875 0.001 . 2 . . . . 113 N HB3 . 16039 1 859 . 1 1 113 113 ASN HD21 H 1 7.789 0.001 . 2 . . . . 113 N HD21 . 16039 1 860 . 1 1 113 113 ASN HD22 H 1 7.558 0.001 . 2 . . . . 113 N HD22 . 16039 1 861 . 1 1 113 113 ASN N N 15 129.601 0.001 . 1 . . . . 113 N N . 16039 1 862 . 1 1 113 113 ASN ND2 N 15 117.661 0.001 . 1 . . . . 113 N ND2 . 16039 1 863 . 1 1 114 114 ARG H H 1 9.320 0.001 . 1 . . . . 114 R H . 16039 1 864 . 1 1 114 114 ARG HA H 1 3.719 0.001 . 1 . . . . 114 R HA . 16039 1 865 . 1 1 114 114 ARG HB2 H 1 2.347 0.001 . 2 . . . . 114 R HB2 . 16039 1 866 . 1 1 114 114 ARG HB3 H 1 2.026 0.001 . 2 . . . . 114 R HB3 . 16039 1 867 . 1 1 114 114 ARG HD2 H 1 3.281 0.001 . 2 . . . . 114 R HD2 . 16039 1 868 . 1 1 114 114 ARG HD3 H 1 3.181 0.001 . 2 . . . . 114 R HD3 . 16039 1 869 . 1 1 114 114 ARG HE H 1 7.181 0.001 . 1 . . . . 114 R HE . 16039 1 870 . 1 1 114 114 ARG HG2 H 1 1.556 0.001 . 2 . . . . 114 R HG2 . 16039 1 871 . 1 1 114 114 ARG HG3 H 1 1.519 0.001 . 2 . . . . 114 R HG3 . 16039 1 872 . 1 1 114 114 ARG N N 15 106.291 0.001 . 1 . . . . 114 R N . 16039 1 873 . 1 1 115 115 GLU H H 1 7.864 0.001 . 1 . . . . 115 E H . 16039 1 874 . 1 1 115 115 GLU HA H 1 5.141 0.001 . 1 . . . . 115 E HA . 16039 1 875 . 1 1 115 115 GLU HB2 H 1 2.031 0.001 . 2 . . . . 115 E HB2 . 16039 1 876 . 1 1 115 115 GLU HB3 H 1 1.914 0.001 . 2 . . . . 115 E HB3 . 16039 1 877 . 1 1 115 115 GLU HG2 H 1 2.369 0.001 . 2 . . . . 115 E HG2 . 16039 1 878 . 1 1 115 115 GLU HG3 H 1 2.277 0.001 . 2 . . . . 115 E HG3 . 16039 1 879 . 1 1 115 115 GLU N N 15 120.631 0.001 . 1 . . . . 115 E N . 16039 1 880 . 1 1 116 116 PRO HA H 1 4.008 0.001 . 1 . . . . 116 P HA . 16039 1 881 . 1 1 116 116 PRO HB2 H 1 2.053 0.001 . 2 . . . . 116 P HB2 . 16039 1 882 . 1 1 116 116 PRO HB3 H 1 1.624 0.001 . 2 . . . . 116 P HB3 . 16039 1 883 . 1 1 116 116 PRO HD2 H 1 3.881 0.001 . 2 . . . . 116 P HD2 . 16039 1 884 . 1 1 116 116 PRO HD3 H 1 3.781 0.001 . 2 . . . . 116 P HD3 . 16039 1 885 . 1 1 116 116 PRO HG2 H 1 1.817 0.001 . 2 . . . . 116 P HG2 . 16039 1 886 . 1 1 116 116 PRO HG3 H 1 1.790 0.001 . 2 . . . . 116 P HG3 . 16039 1 887 . 1 1 117 117 ARG H H 1 8.366 0.001 . 1 . . . . 117 R H . 16039 1 888 . 1 1 117 117 ARG HA H 1 4.691 0.001 . 1 . . . . 117 R HA . 16039 1 889 . 1 1 117 117 ARG HB2 H 1 2.070 0.001 . 2 . . . . 117 R HB2 . 16039 1 890 . 1 1 117 117 ARG HB3 H 1 1.741 0.001 . 2 . . . . 117 R HB3 . 16039 1 891 . 1 1 117 117 ARG HD2 H 1 3.507 0.001 . 2 . . . . 117 R HD2 . 16039 1 892 . 1 1 117 117 ARG HD3 H 1 3.233 0.001 . 2 . . . . 117 R HD3 . 16039 1 893 . 1 1 117 117 ARG HE H 1 7.132 0.001 . 1 . . . . 117 R HE . 16039 1 894 . 1 1 117 117 ARG HG2 H 1 1.458 0.001 . 2 . . . . 117 R HG2 . 16039 1 895 . 1 1 117 117 ARG HG3 H 1 1.402 0.001 . 2 . . . . 117 R HG3 . 16039 1 896 . 1 1 117 117 ARG N N 15 121.911 0.001 . 1 . . . . 117 R N . 16039 1 897 . 1 1 117 117 ARG NE N 15 85.741 0.001 . 1 . . . . 117 R NE . 16039 1 898 . 1 1 118 118 ASN H H 1 8.735 0.001 . 1 . . . . 118 N H . 16039 1 899 . 1 1 118 118 ASN HA H 1 4.743 0.001 . 1 . . . . 118 N HA . 16039 1 900 . 1 1 118 118 ASN HB2 H 1 2.882 0.001 . 2 . . . . 118 N HB2 . 16039 1 901 . 1 1 118 118 ASN HB3 H 1 2.753 0.001 . 2 . . . . 118 N HB3 . 16039 1 902 . 1 1 118 118 ASN HD21 H 1 7.648 0.001 . 2 . . . . 118 N HD21 . 16039 1 903 . 1 1 118 118 ASN HD22 H 1 6.946 0.001 . 2 . . . . 118 N HD22 . 16039 1 904 . 1 1 118 118 ASN N N 15 120.261 0.001 . 1 . . . . 118 N N . 16039 1 905 . 1 1 118 118 ASN ND2 N 15 113.161 0.001 . 1 . . . . 118 N ND2 . 16039 1 906 . 1 1 119 119 ALA H H 1 7.348 0.001 . 1 . . . . 119 A H . 16039 1 907 . 1 1 119 119 ALA HA H 1 5.320 0.001 . 1 . . . . 119 A HA . 16039 1 908 . 1 1 119 119 ALA HB1 H 1 1.335 0.001 . . . . . . 119 A QB . 16039 1 909 . 1 1 119 119 ALA HB2 H 1 1.335 0.001 . . . . . . 119 A QB . 16039 1 910 . 1 1 119 119 ALA HB3 H 1 1.335 0.001 . . . . . . 119 A QB . 16039 1 911 . 1 1 119 119 ALA N N 15 120.291 0.001 . 1 . . . . 119 A N . 16039 1 912 . 1 1 120 120 GLN H H 1 8.763 0.001 . 1 . . . . 120 Q H . 16039 1 913 . 1 1 120 120 GLN HA H 1 4.506 0.001 . 1 . . . . 120 Q HA . 16039 1 914 . 1 1 120 120 GLN HB2 H 1 1.952 0.001 . 2 . . . . 120 Q HB2 . 16039 1 915 . 1 1 120 120 GLN HB3 H 1 1.480 0.001 . 2 . . . . 120 Q HB3 . 16039 1 916 . 1 1 120 120 GLN HE21 H 1 8.049 0.001 . 2 . . . . 120 Q HE21 . 16039 1 917 . 1 1 120 120 GLN HE22 H 1 6.889 0.001 . 2 . . . . 120 Q HE22 . 16039 1 918 . 1 1 120 120 GLN HG2 H 1 2.262 0.001 . 2 . . . . 120 Q HG2 . 16039 1 919 . 1 1 120 120 GLN HG3 H 1 2.160 0.001 . 2 . . . . 120 Q HG3 . 16039 1 920 . 1 1 120 120 GLN N N 15 121.151 0.001 . 1 . . . . 120 Q N . 16039 1 921 . 1 1 120 120 GLN NE2 N 15 114.151 0.001 . 1 . . . . 120 Q NE2 . 16039 1 922 . 1 1 121 121 VAL H H 1 8.674 0.001 . 1 . . . . 121 V H . 16039 1 923 . 1 1 121 121 VAL HA H 1 4.239 0.001 . 1 . . . . 121 V HA . 16039 1 924 . 1 1 121 121 VAL HB H 1 1.942 0.001 . 1 . . . . 121 V HB . 16039 1 925 . 1 1 121 121 VAL HG11 H 1 0.981 0.001 . . . . . . 121 V QG1 . 16039 1 926 . 1 1 121 121 VAL HG12 H 1 0.981 0.001 . . . . . . 121 V QG1 . 16039 1 927 . 1 1 121 121 VAL HG13 H 1 0.981 0.001 . . . . . . 121 V QG1 . 16039 1 928 . 1 1 121 121 VAL HG21 H 1 0.954 0.001 . . . . . . 121 V QG2 . 16039 1 929 . 1 1 121 121 VAL HG22 H 1 0.954 0.001 . . . . . . 121 V QG2 . 16039 1 930 . 1 1 121 121 VAL HG23 H 1 0.954 0.001 . . . . . . 121 V QG2 . 16039 1 931 . 1 1 121 121 VAL N N 15 129.791 0.001 . 1 . . . . 121 V N . 16039 1 932 . 1 1 122 122 MET H H 1 8.914 0.001 . 1 . . . . 122 M H . 16039 1 933 . 1 1 122 122 MET HA H 1 4.420 0.001 . 1 . . . . 122 M HA . 16039 1 934 . 1 1 122 122 MET HB2 H 1 1.974 0.001 . 2 . . . . 122 M HB2 . 16039 1 935 . 1 1 122 122 MET HB3 H 1 1.932 0.001 . 2 . . . . 122 M HB3 . 16039 1 936 . 1 1 122 122 MET HE1 H 1 2.167 0.001 . . . . . . 122 M QE . 16039 1 937 . 1 1 122 122 MET HE2 H 1 2.167 0.001 . . . . . . 122 M QE . 16039 1 938 . 1 1 122 122 MET HE3 H 1 2.167 0.001 . . . . . . 122 M QE . 16039 1 939 . 1 1 122 122 MET HG2 H 1 2.388 0.001 . 2 . . . . 122 M HG2 . 16039 1 940 . 1 1 122 122 MET HG3 H 1 2.355 0.001 . 2 . . . . 122 M HG3 . 16039 1 941 . 1 1 122 122 MET N N 15 129.531 0.001 . 1 . . . . 122 M N . 16039 1 942 . 1 1 123 123 GLN H H 1 8.977 0.001 . 1 . . . . 123 Q H . 16039 1 943 . 1 1 123 123 GLN HA H 1 4.824 0.001 . 1 . . . . 123 Q HA . 16039 1 944 . 1 1 123 123 GLN HB2 H 1 2.144 0.001 . 2 . . . . 123 Q HB2 . 16039 1 945 . 1 1 123 123 GLN HB3 H 1 1.981 0.001 . 2 . . . . 123 Q HB3 . 16039 1 946 . 1 1 123 123 GLN HE21 H 1 7.670 0.001 . 2 . . . . 123 Q HE21 . 16039 1 947 . 1 1 123 123 GLN HE22 H 1 6.881 0.001 . 2 . . . . 123 Q HE22 . 16039 1 948 . 1 1 123 123 GLN HG2 H 1 2.406 0.001 . 2 . . . . 123 Q HG2 . 16039 1 949 . 1 1 123 123 GLN HG3 H 1 2.365 0.001 . 2 . . . . 123 Q HG3 . 16039 1 950 . 1 1 123 123 GLN N N 15 119.821 0.001 . 1 . . . . 123 Q N . 16039 1 951 . 1 1 123 123 GLN NE2 N 15 112.931 0.001 . 1 . . . . 123 Q NE2 . 16039 1 952 . 1 1 124 124 THR H H 1 9.023 0.001 . 1 . . . . 124 T H . 16039 1 953 . 1 1 124 124 THR HA H 1 4.209 0.001 . 1 . . . . 124 T HA . 16039 1 954 . 1 1 124 124 THR HB H 1 4.123 0.001 . 1 . . . . 124 T HB . 16039 1 955 . 1 1 124 124 THR HG21 H 1 1.324 0.001 . . . . . . 124 T QG2 . 16039 1 956 . 1 1 124 124 THR HG22 H 1 1.324 0.001 . . . . . . 124 T QG2 . 16039 1 957 . 1 1 124 124 THR HG23 H 1 1.324 0.001 . . . . . . 124 T QG2 . 16039 1 958 . 1 1 124 124 THR N N 15 119.561 0.001 . 1 . . . . 124 T N . 16039 1 959 . 1 1 125 125 GLY H H 1 9.872 0.001 . 1 . . . . 125 G H . 16039 1 960 . 1 1 125 125 GLY HA2 H 1 4.553 0.001 . 2 . . . . 125 G HA2 . 16039 1 961 . 1 1 125 125 GLY HA3 H 1 3.482 0.001 . 2 . . . . 125 G HA3 . 16039 1 962 . 1 1 125 125 GLY N N 15 117.841 0.001 . 1 . . . . 125 G N . 16039 1 963 . 1 1 126 126 ASP H H 1 8.618 0.001 . 1 . . . . 126 D H . 16039 1 964 . 1 1 126 126 ASP HA H 1 4.868 0.001 . 1 . . . . 126 D HA . 16039 1 965 . 1 1 126 126 ASP HB2 H 1 2.795 0.001 . 2 . . . . 126 D HB2 . 16039 1 966 . 1 1 126 126 ASP HB3 H 1 2.343 0.001 . 2 . . . . 126 D HB3 . 16039 1 967 . 1 1 126 126 ASP N N 15 123.111 0.001 . 1 . . . . 126 D N . 16039 1 968 . 1 1 127 127 GLU H H 1 8.299 0.001 . 1 . . . . 127 E H . 16039 1 969 . 1 1 127 127 GLU HA H 1 5.296 0.001 . 1 . . . . 127 E HA . 16039 1 970 . 1 1 127 127 GLU HB2 H 1 2.108 0.001 . 2 . . . . 127 E HB2 . 16039 1 971 . 1 1 127 127 GLU HB3 H 1 1.991 0.001 . 2 . . . . 127 E HB3 . 16039 1 972 . 1 1 127 127 GLU HG2 H 1 2.351 0.001 . 2 . . . . 127 E HG2 . 16039 1 973 . 1 1 127 127 GLU HG3 H 1 2.307 0.001 . 2 . . . . 127 E HG3 . 16039 1 974 . 1 1 127 127 GLU N N 15 118.681 0.001 . 1 . . . . 127 E N . 16039 1 975 . 1 1 128 128 ILE H H 1 9.977 0.001 . 1 . . . . 128 I H . 16039 1 976 . 1 1 128 128 ILE HA H 1 5.275 0.001 . 1 . . . . 128 I HA . 16039 1 977 . 1 1 128 128 ILE HB H 1 1.965 0.001 . 1 . . . . 128 I HB . 16039 1 978 . 1 1 128 128 ILE HD11 H 1 0.781 0.001 . . . . . . 128 I QD1 . 16039 1 979 . 1 1 128 128 ILE HD12 H 1 0.781 0.001 . . . . . . 128 I QD1 . 16039 1 980 . 1 1 128 128 ILE HD13 H 1 0.781 0.001 . . . . . . 128 I QD1 . 16039 1 981 . 1 1 128 128 ILE HG12 H 1 1.546 0.001 . 2 . . . . 128 I HG12 . 16039 1 982 . 1 1 128 128 ILE HG13 H 1 1.439 0.001 . 2 . . . . 128 I HG13 . 16039 1 983 . 1 1 128 128 ILE HG21 H 1 0.962 0.001 . . . . . . 128 I QG2 . 16039 1 984 . 1 1 128 128 ILE HG22 H 1 0.962 0.001 . . . . . . 128 I QG2 . 16039 1 985 . 1 1 128 128 ILE HG23 H 1 0.962 0.001 . . . . . . 128 I QG2 . 16039 1 986 . 1 1 128 128 ILE N N 15 129.751 0.001 . 1 . . . . 128 I N . 16039 1 987 . 1 1 129 129 GLN H H 1 9.493 0.001 . 1 . . . . 129 Q H . 16039 1 988 . 1 1 129 129 GLN HA H 1 5.424 0.001 . 1 . . . . 129 Q HA . 16039 1 989 . 1 1 129 129 GLN HB2 H 1 2.150 0.001 . 2 . . . . 129 Q HB2 . 16039 1 990 . 1 1 129 129 GLN HB3 H 1 1.933 0.001 . 2 . . . . 129 Q HB3 . 16039 1 991 . 1 1 129 129 GLN HE21 H 1 7.435 0.001 . 2 . . . . 129 Q HE21 . 16039 1 992 . 1 1 129 129 GLN HE22 H 1 6.452 0.001 . 2 . . . . 129 Q HE22 . 16039 1 993 . 1 1 129 129 GLN HG2 H 1 2.380 0.001 . 2 . . . . 129 Q HG2 . 16039 1 994 . 1 1 129 129 GLN HG3 H 1 2.318 0.001 . 2 . . . . 129 Q HG3 . 16039 1 995 . 1 1 129 129 GLN N N 15 128.971 0.001 . 1 . . . . 129 Q N . 16039 1 996 . 1 1 129 129 GLN NE2 N 15 110.721 0.001 . 1 . . . . 129 Q NE2 . 16039 1 997 . 1 1 130 130 ILE H H 1 8.416 0.001 . 1 . . . . 130 I H . 16039 1 998 . 1 1 130 130 ILE HA H 1 4.054 0.001 . 1 . . . . 130 I HA . 16039 1 999 . 1 1 130 130 ILE HB H 1 2.310 0.001 . 1 . . . . 130 I HB . 16039 1 1000 . 1 1 130 130 ILE HD11 H 1 0.856 0.001 . . . . . . 130 I QD1 . 16039 1 1001 . 1 1 130 130 ILE HD12 H 1 0.856 0.001 . . . . . . 130 I QD1 . 16039 1 1002 . 1 1 130 130 ILE HD13 H 1 0.856 0.001 . . . . . . 130 I QD1 . 16039 1 1003 . 1 1 130 130 ILE HG12 H 1 1.904 0.001 . 2 . . . . 130 I HG12 . 16039 1 1004 . 1 1 130 130 ILE HG13 H 1 1.284 0.001 . 2 . . . . 130 I HG13 . 16039 1 1005 . 1 1 130 130 ILE HG21 H 1 -0.099 0.001 . . . . . . 130 I QG2 . 16039 1 1006 . 1 1 130 130 ILE HG22 H 1 -0.099 0.001 . . . . . . 130 I QG2 . 16039 1 1007 . 1 1 130 130 ILE HG23 H 1 -0.099 0.001 . . . . . . 130 I QG2 . 16039 1 1008 . 1 1 130 130 ILE N N 15 128.821 0.001 . 1 . . . . 130 I N . 16039 1 1009 . 1 1 131 131 GLY H H 1 9.654 0.001 . 1 . . . . 131 G H . 16039 1 1010 . 1 1 131 131 GLY HA2 H 1 3.826 0.001 . 2 . . . . 131 G HA2 . 16039 1 1011 . 1 1 131 131 GLY HA3 H 1 3.623 0.001 . 2 . . . . 131 G HA3 . 16039 1 1012 . 1 1 131 131 GLY N N 15 116.591 0.001 . 1 . . . . 131 G N . 16039 1 1013 . 1 1 132 132 LYS H H 1 7.848 0.001 . 1 . . . . 132 K H . 16039 1 1014 . 1 1 132 132 LYS HA H 1 4.061 0.001 . 1 . . . . 132 K HA . 16039 1 1015 . 1 1 132 132 LYS HB2 H 1 1.442 0.001 . 2 . . . . 132 K HB2 . 16039 1 1016 . 1 1 132 132 LYS HB3 H 1 1.384 0.001 . 2 . . . . 132 K HB3 . 16039 1 1017 . 1 1 132 132 LYS HD2 H 1 1.308 0.001 . 2 . . . . 132 K HD2 . 16039 1 1018 . 1 1 132 132 LYS HE2 H 1 2.981 0.001 . 2 . . . . 132 K HE2 . 16039 1 1019 . 1 1 132 132 LYS HG2 H 1 1.016 0.001 . 2 . . . . 132 K HG2 . 16039 1 1020 . 1 1 132 132 LYS HG3 H 1 0.982 0.001 . 2 . . . . 132 K HG3 . 16039 1 1021 . 1 1 132 132 LYS N N 15 122.911 0.001 . 1 . . . . 132 K N . 16039 1 1022 . 1 1 133 133 PHE H H 1 8.293 0.001 . 1 . . . . 133 F H . 16039 1 1023 . 1 1 133 133 PHE HA H 1 4.572 0.001 . 1 . . . . 133 F HA . 16039 1 1024 . 1 1 133 133 PHE HB2 H 1 3.412 0.001 . 2 . . . . 133 F HB2 . 16039 1 1025 . 1 1 133 133 PHE HB3 H 1 2.609 0.001 . 2 . . . . 133 F HB3 . 16039 1 1026 . 1 1 133 133 PHE HD1 H 1 7.381 0.001 . 3 . . . . 133 F QD . 16039 1 1027 . 1 1 133 133 PHE HD2 H 1 7.381 0.001 . 3 . . . . 133 F QD . 16039 1 1028 . 1 1 133 133 PHE HE1 H 1 7.155 0.001 . 3 . . . . 133 F QE . 16039 1 1029 . 1 1 133 133 PHE HE2 H 1 7.155 0.001 . 3 . . . . 133 F QE . 16039 1 1030 . 1 1 133 133 PHE HZ H 1 7.040 0.001 . 1 . . . . 133 F HZ . 16039 1 1031 . 1 1 133 133 PHE N N 15 119.531 0.001 . 1 . . . . 133 F N . 16039 1 1032 . 1 1 134 134 ARG H H 1 8.677 0.001 . 1 . . . . 134 R H . 16039 1 1033 . 1 1 134 134 ARG HA H 1 5.213 0.001 . 1 . . . . 134 R HA . 16039 1 1034 . 1 1 134 134 ARG HB2 H 1 1.749 0.001 . 2 . . . . 134 R HB2 . 16039 1 1035 . 1 1 134 134 ARG HB3 H 1 1.673 0.001 . 2 . . . . 134 R HB3 . 16039 1 1036 . 1 1 134 134 ARG HD2 H 1 3.281 0.001 . 2 . . . . 134 R HD2 . 16039 1 1037 . 1 1 134 134 ARG HD3 H 1 3.181 0.001 . 2 . . . . 134 R HD3 . 16039 1 1038 . 1 1 134 134 ARG HE H 1 7.181 0.001 . 1 . . . . 134 R HE . 16039 1 1039 . 1 1 134 134 ARG HG2 H 1 1.526 0.001 . 2 . . . . 134 R HG2 . 16039 1 1040 . 1 1 134 134 ARG HG3 H 1 1.394 0.001 . 2 . . . . 134 R HG3 . 16039 1 1041 . 1 1 134 134 ARG N N 15 121.121 0.001 . 1 . . . . 134 R N . 16039 1 1042 . 1 1 135 135 LEU H H 1 9.839 0.001 . 1 . . . . 135 L H . 16039 1 1043 . 1 1 135 135 LEU HA H 1 5.506 0.001 . 1 . . . . 135 L HA . 16039 1 1044 . 1 1 135 135 LEU HB2 H 1 1.711 0.001 . 2 . . . . 135 L HB2 . 16039 1 1045 . 1 1 135 135 LEU HB3 H 1 1.681 0.001 . 2 . . . . 135 L HB3 . 16039 1 1046 . 1 1 135 135 LEU HD11 H 1 0.965 0.001 . . . . . . 135 L QD1 . 16039 1 1047 . 1 1 135 135 LEU HD12 H 1 0.965 0.001 . . . . . . 135 L QD1 . 16039 1 1048 . 1 1 135 135 LEU HD13 H 1 0.965 0.001 . . . . . . 135 L QD1 . 16039 1 1049 . 1 1 135 135 LEU HD21 H 1 0.840 0.001 . . . . . . 135 L QD2 . 16039 1 1050 . 1 1 135 135 LEU HD22 H 1 0.840 0.001 . . . . . . 135 L QD2 . 16039 1 1051 . 1 1 135 135 LEU HD23 H 1 0.840 0.001 . . . . . . 135 L QD2 . 16039 1 1052 . 1 1 135 135 LEU HG H 1 1.512 0.001 . 1 . . . . 135 L HG . 16039 1 1053 . 1 1 135 135 LEU N N 15 126.751 0.001 . 1 . . . . 135 L N . 16039 1 1054 . 1 1 136 136 VAL H H 1 9.355 0.001 . 1 . . . . 136 V H . 16039 1 1055 . 1 1 136 136 VAL HA H 1 5.227 0.001 . 1 . . . . 136 V HA . 16039 1 1056 . 1 1 136 136 VAL HB H 1 1.829 0.001 . 1 . . . . 136 V HB . 16039 1 1057 . 1 1 136 136 VAL HG11 H 1 0.951 0.001 . . . . . . 136 V QG1 . 16039 1 1058 . 1 1 136 136 VAL HG12 H 1 0.951 0.001 . . . . . . 136 V QG1 . 16039 1 1059 . 1 1 136 136 VAL HG13 H 1 0.951 0.001 . . . . . . 136 V QG1 . 16039 1 1060 . 1 1 136 136 VAL HG21 H 1 0.916 0.001 . . . . . . 136 V QG2 . 16039 1 1061 . 1 1 136 136 VAL HG22 H 1 0.916 0.001 . . . . . . 136 V QG2 . 16039 1 1062 . 1 1 136 136 VAL HG23 H 1 0.916 0.001 . . . . . . 136 V QG2 . 16039 1 1063 . 1 1 136 136 VAL N N 15 121.591 0.001 . 1 . . . . 136 V N . 16039 1 1064 . 1 1 137 137 PHE H H 1 8.437 0.001 . 1 . . . . 137 F H . 16039 1 1065 . 1 1 137 137 PHE HA H 1 5.008 0.001 . 1 . . . . 137 F HA . 16039 1 1066 . 1 1 137 137 PHE HB2 H 1 2.920 0.001 . 2 . . . . 137 F HB2 . 16039 1 1067 . 1 1 137 137 PHE HB3 H 1 2.819 0.001 . 2 . . . . 137 F HB3 . 16039 1 1068 . 1 1 137 137 PHE HD1 H 1 6.799 0.001 . 3 . . . . 137 F QD . 16039 1 1069 . 1 1 137 137 PHE HD2 H 1 6.799 0.001 . 3 . . . . 137 F QD . 16039 1 1070 . 1 1 137 137 PHE HE1 H 1 6.667 0.001 . 3 . . . . 137 F QE . 16039 1 1071 . 1 1 137 137 PHE HE2 H 1 6.667 0.001 . 3 . . . . 137 F QE . 16039 1 1072 . 1 1 137 137 PHE HZ H 1 6.587 0.001 . 1 . . . . 137 F HZ . 16039 1 1073 . 1 1 137 137 PHE N N 15 127.421 0.001 . 1 . . . . 137 F N . 16039 1 1074 . 1 1 138 138 LEU H H 1 8.509 0.001 . 1 . . . . 138 L H . 16039 1 1075 . 1 1 138 138 LEU HA H 1 4.346 0.001 . 1 . . . . 138 L HA . 16039 1 1076 . 1 1 138 138 LEU HB2 H 1 1.383 0.001 . 2 . . . . 138 L HB2 . 16039 1 1077 . 1 1 138 138 LEU HB3 H 1 1.349 0.001 . 2 . . . . 138 L HB3 . 16039 1 1078 . 1 1 138 138 LEU HD11 H 1 0.775 0.001 . . . . . . 138 L QD1 . 16039 1 1079 . 1 1 138 138 LEU HD12 H 1 0.775 0.001 . . . . . . 138 L QD1 . 16039 1 1080 . 1 1 138 138 LEU HD13 H 1 0.775 0.001 . . . . . . 138 L QD1 . 16039 1 1081 . 1 1 138 138 LEU HD21 H 1 0.662 0.001 . . . . . . 138 L QD2 . 16039 1 1082 . 1 1 138 138 LEU HD22 H 1 0.662 0.001 . . . . . . 138 L QD2 . 16039 1 1083 . 1 1 138 138 LEU HD23 H 1 0.662 0.001 . . . . . . 138 L QD2 . 16039 1 1084 . 1 1 138 138 LEU HG H 1 1.132 0.001 . 1 . . . . 138 L HG . 16039 1 1085 . 1 1 138 138 LEU N N 15 128.651 0.001 . 1 . . . . 138 L N . 16039 1 1086 . 1 1 139 139 ALA H H 1 7.461 0.001 . 1 . . . . 139 A H . 16039 1 1087 . 1 1 139 139 ALA HA H 1 3.916 0.001 . 1 . . . . 139 A HA . 16039 1 1088 . 1 1 139 139 ALA HB1 H 1 1.322 0.001 . . . . . . 139 A QB . 16039 1 1089 . 1 1 139 139 ALA HB2 H 1 1.322 0.001 . . . . . . 139 A QB . 16039 1 1090 . 1 1 139 139 ALA HB3 H 1 1.322 0.001 . . . . . . 139 A QB . 16039 1 1091 . 1 1 139 139 ALA N N 15 123.581 0.001 . 1 . . . . 139 A N . 16039 1 1092 . 1 1 140 140 GLY H H 1 7.899 0.001 . 1 . . . . 140 G H . 16039 1 1093 . 1 1 140 140 GLY HA2 H 1 4.173 0.001 . 2 . . . . 140 G HA2 . 16039 1 1094 . 1 1 140 140 GLY HA3 H 1 3.611 0.001 . 2 . . . . 140 G HA3 . 16039 1 1095 . 1 1 140 140 GLY N N 15 108.011 0.001 . 1 . . . . 140 G N . 16039 1 1096 . 1 1 141 141 PRO HA H 1 4.442 0.001 . 1 . . . . 141 P HA . 16039 1 1097 . 1 1 141 141 PRO HB2 H 1 2.322 0.001 . 2 . . . . 141 P HB2 . 16039 1 1098 . 1 1 141 141 PRO HB3 H 1 1.967 0.001 . 2 . . . . 141 P HB3 . 16039 1 1099 . 1 1 141 141 PRO HD2 H 1 3.881 0.001 . 2 . . . . 141 P HD2 . 16039 1 1100 . 1 1 141 141 PRO HD3 H 1 3.781 0.001 . 2 . . . . 141 P HD3 . 16039 1 1101 . 1 1 141 141 PRO HG2 H 1 2.231 0.001 . 2 . . . . 141 P HG2 . 16039 1 1102 . 1 1 141 141 PRO HG3 H 1 2.181 0.001 . 2 . . . . 141 P HG3 . 16039 1 1103 . 1 1 142 142 ALA H H 1 8.480 0.001 . 1 . . . . 142 A H . 16039 1 1104 . 1 1 142 142 ALA HA H 1 4.364 0.001 . 1 . . . . 142 A HA . 16039 1 1105 . 1 1 142 142 ALA HB1 H 1 1.456 0.001 . . . . . . 142 A QB . 16039 1 1106 . 1 1 142 142 ALA HB2 H 1 1.456 0.001 . . . . . . 142 A QB . 16039 1 1107 . 1 1 142 142 ALA HB3 H 1 1.456 0.001 . . . . . . 142 A QB . 16039 1 1108 . 1 1 142 142 ALA N N 15 124.201 0.001 . 1 . . . . 142 A N . 16039 1 1109 . 1 1 143 143 GLU H H 1 7.921 0.001 . 1 . . . . 143 E H . 16039 1 1110 . 1 1 143 143 GLU HA H 1 4.056 0.001 . 1 . . . . 143 E HA . 16039 1 1111 . 1 1 143 143 GLU HB2 H 1 2.005 0.001 . 2 . . . . 143 E HB2 . 16039 1 1112 . 1 1 143 143 GLU HB3 H 1 1.869 0.001 . 2 . . . . 143 E HB3 . 16039 1 1113 . 1 1 143 143 GLU HG2 H 1 2.151 0.001 . 2 . . . . 143 E HG2 . 16039 1 1114 . 1 1 143 143 GLU HG3 H 1 2.125 0.001 . 2 . . . . 143 E HG3 . 16039 1 1115 . 1 1 143 143 GLU N N 15 123.321 0.001 . 1 . . . . 143 E N . 16039 1 stop_ save_