data_16038 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16038 _Entry.Title ; NMR Structure of the phosphorylated form of OdhI, pOdhI. ; _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 . P.B. . 16038 2 Christian Roumestand . C.R. . 16038 3 Marc Canova . M.C. . 16038 4 Corinne Hurard . C.H. . 16038 5 Virginie Molle . V.M. . 16038 6 Martin Cohen-Gonsaud . M.C.G. . 16038 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FHA . 16038 'Forkhead-associated domain' . 16038 GarA . 16038 'Kinase substrate' . 16038 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16038 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 16038 '15N chemical shifts' 150 16038 '1H chemical shifts' 925 16038 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' 16038 1 . . 2009-04-29 2008-11-20 original author 'original release' 16038 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16039 'NMR structure of the unphosphorylated form of OdhI,OdhI.' 16038 PDB 2KB3 'BMRB Entry Tracking System' 16038 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16038 _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 . . . 16038 1 2 Christian Roumestand . . . 16038 1 3 Marc Canova . J. . 16038 1 4 Laurent Kremer . . . 16038 1 5 Corinne Hurard . . . 16038 1 6 Virginie Molle . . . 16038 1 7 Martin Cohen-Gonsaud . . . 16038 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FHA 16038 1 'Forkhead-associated domain' 16038 1 GarA 16038 1 'Kinase substrate' 16038 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16038 _Assembly.ID 1 _Assembly.Name pOdhI _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 pOdhI 1 $pOdhI A . yes native no no . . . 16038 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pOdhI _Entity.Sf_category entity _Entity.Sf_framecode pOdhI _Entity.Entry_ID 16038 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pOdhI _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 ; MSDNNGTPEPQVETXSVFRA 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 yes _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 16039 . OdhI . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 2 no PDB 2KB3 . "Nmr Structure Of The Phosphorylated Form Of Odhi, Podhi" . . . . . 100.00 143 100.00 100.00 1.46e-96 . . . . 16038 1 3 no PDB 2KB4 . "Nmr Structure Of The Unphosphorylated Form Of Odhi, Odhi." . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 4 no PDB 4QCJ . "Crystal Structure Of Odhi From Corynebacterium Glutamicum" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 5 no DBJ BAB98834 . "FHA-domain-containing proteins [Corynebacterium glutamicum ATCC 13032]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 6 no DBJ BAF54493 . "hypothetical protein cgR_1501 [Corynebacterium glutamicum R]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 7 no EMBL CAF21450 . "PUTATIVE SIGNAL TRANSDUCTION PROTEIN, FHA DOMAIN [Corynebacterium glutamicum ATCC 13032]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 8 no EMBL CCH24605 . "signal transduction protein, FHA-domain-containing protein [Corynebacterium glutamicum K051]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 9 no GB AGN19176 . "hypothetical protein C624_07995 [Corynebacterium glutamicum SCgG1]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 10 no GB AGN22201 . "hypothetical protein C629_08005 [Corynebacterium glutamicum SCgG2]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 11 no GB AGT05407 . "putative signal transduction FHA-domain protein [Corynebacterium glutamicum MB001]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 12 no GB AIK85116 . "oxoglutarate dehydrogenase inhibitor [Corynebacterium glutamicum]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 13 no GB AIK87900 . "oxoglutarate dehydrogenase inhibitor [Corynebacterium glutamicum]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 14 no REF NP_600658 . "FHA-domain-containing protein [Corynebacterium glutamicum ATCC 13032]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 15 no REF WP_003856253 . "MULTISPECIES: oxoglutarate dehydrogenase inhibitor [Corynebacterium]" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 1 16 no SP Q8NQJ3 . "RecName: Full=Oxoglutarate dehydrogenase inhibitor" . . . . . 100.00 143 99.30 99.30 1.10e-96 . . . . 16038 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 . 16038 1 2 . SER . 16038 1 3 . ASP . 16038 1 4 . ASN . 16038 1 5 . ASN . 16038 1 6 . GLY . 16038 1 7 . THR . 16038 1 8 . PRO . 16038 1 9 . GLU . 16038 1 10 . PRO . 16038 1 11 . GLN . 16038 1 12 . VAL . 16038 1 13 . GLU . 16038 1 14 . THR . 16038 1 15 . TPO . 16038 1 16 . SER . 16038 1 17 . VAL . 16038 1 18 . PHE . 16038 1 19 . ARG . 16038 1 20 . ALA . 16038 1 21 . ASP . 16038 1 22 . LEU . 16038 1 23 . LEU . 16038 1 24 . LYS . 16038 1 25 . GLU . 16038 1 26 . MET . 16038 1 27 . GLU . 16038 1 28 . SER . 16038 1 29 . SER . 16038 1 30 . THR . 16038 1 31 . GLY . 16038 1 32 . THR . 16038 1 33 . ALA . 16038 1 34 . PRO . 16038 1 35 . ALA . 16038 1 36 . SER . 16038 1 37 . THR . 16038 1 38 . GLY . 16038 1 39 . ALA . 16038 1 40 . GLU . 16038 1 41 . ASN . 16038 1 42 . LEU . 16038 1 43 . PRO . 16038 1 44 . ALA . 16038 1 45 . GLY . 16038 1 46 . SER . 16038 1 47 . ALA . 16038 1 48 . LEU . 16038 1 49 . LEU . 16038 1 50 . VAL . 16038 1 51 . VAL . 16038 1 52 . LYS . 16038 1 53 . ARG . 16038 1 54 . GLY . 16038 1 55 . PRO . 16038 1 56 . ASN . 16038 1 57 . ALA . 16038 1 58 . GLY . 16038 1 59 . ALA . 16038 1 60 . ARG . 16038 1 61 . PHE . 16038 1 62 . LEU . 16038 1 63 . LEU . 16038 1 64 . ASP . 16038 1 65 . GLN . 16038 1 66 . PRO . 16038 1 67 . THR . 16038 1 68 . THR . 16038 1 69 . THR . 16038 1 70 . ALA . 16038 1 71 . GLY . 16038 1 72 . ARG . 16038 1 73 . HIS . 16038 1 74 . PRO . 16038 1 75 . GLU . 16038 1 76 . SER . 16038 1 77 . ASP . 16038 1 78 . ILE . 16038 1 79 . PHE . 16038 1 80 . LEU . 16038 1 81 . ASP . 16038 1 82 . ASP . 16038 1 83 . VAL . 16038 1 84 . THR . 16038 1 85 . VAL . 16038 1 86 . SER . 16038 1 87 . ARG . 16038 1 88 . ARG . 16038 1 89 . HIS . 16038 1 90 . ALA . 16038 1 91 . GLU . 16038 1 92 . PHE . 16038 1 93 . ARG . 16038 1 94 . ILE . 16038 1 95 . ASN . 16038 1 96 . GLU . 16038 1 97 . GLY . 16038 1 98 . GLU . 16038 1 99 . PHE . 16038 1 100 . GLU . 16038 1 101 . VAL . 16038 1 102 . VAL . 16038 1 103 . ASP . 16038 1 104 . VAL . 16038 1 105 . GLY . 16038 1 106 . SER . 16038 1 107 . LEU . 16038 1 108 . ASN . 16038 1 109 . GLY . 16038 1 110 . THR . 16038 1 111 . TYR . 16038 1 112 . VAL . 16038 1 113 . ASN . 16038 1 114 . ARG . 16038 1 115 . GLU . 16038 1 116 . PRO . 16038 1 117 . ARG . 16038 1 118 . ASN . 16038 1 119 . ALA . 16038 1 120 . GLN . 16038 1 121 . VAL . 16038 1 122 . MET . 16038 1 123 . GLN . 16038 1 124 . THR . 16038 1 125 . GLY . 16038 1 126 . ASP . 16038 1 127 . GLU . 16038 1 128 . ILE . 16038 1 129 . GLN . 16038 1 130 . ILE . 16038 1 131 . GLY . 16038 1 132 . LYS . 16038 1 133 . PHE . 16038 1 134 . ARG . 16038 1 135 . LEU . 16038 1 136 . VAL . 16038 1 137 . PHE . 16038 1 138 . LEU . 16038 1 139 . ALA . 16038 1 140 . GLY . 16038 1 141 . PRO . 16038 1 142 . ALA . 16038 1 143 . GLU . 16038 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 16038 1 . SER 2 2 16038 1 . ASP 3 3 16038 1 . ASN 4 4 16038 1 . ASN 5 5 16038 1 . GLY 6 6 16038 1 . THR 7 7 16038 1 . PRO 8 8 16038 1 . GLU 9 9 16038 1 . PRO 10 10 16038 1 . GLN 11 11 16038 1 . VAL 12 12 16038 1 . GLU 13 13 16038 1 . THR 14 14 16038 1 . TPO 15 15 16038 1 . SER 16 16 16038 1 . VAL 17 17 16038 1 . PHE 18 18 16038 1 . ARG 19 19 16038 1 . ALA 20 20 16038 1 . ASP 21 21 16038 1 . LEU 22 22 16038 1 . LEU 23 23 16038 1 . LYS 24 24 16038 1 . GLU 25 25 16038 1 . MET 26 26 16038 1 . GLU 27 27 16038 1 . SER 28 28 16038 1 . SER 29 29 16038 1 . THR 30 30 16038 1 . GLY 31 31 16038 1 . THR 32 32 16038 1 . ALA 33 33 16038 1 . PRO 34 34 16038 1 . ALA 35 35 16038 1 . SER 36 36 16038 1 . THR 37 37 16038 1 . GLY 38 38 16038 1 . ALA 39 39 16038 1 . GLU 40 40 16038 1 . ASN 41 41 16038 1 . LEU 42 42 16038 1 . PRO 43 43 16038 1 . ALA 44 44 16038 1 . GLY 45 45 16038 1 . SER 46 46 16038 1 . ALA 47 47 16038 1 . LEU 48 48 16038 1 . LEU 49 49 16038 1 . VAL 50 50 16038 1 . VAL 51 51 16038 1 . LYS 52 52 16038 1 . ARG 53 53 16038 1 . GLY 54 54 16038 1 . PRO 55 55 16038 1 . ASN 56 56 16038 1 . ALA 57 57 16038 1 . GLY 58 58 16038 1 . ALA 59 59 16038 1 . ARG 60 60 16038 1 . PHE 61 61 16038 1 . LEU 62 62 16038 1 . LEU 63 63 16038 1 . ASP 64 64 16038 1 . GLN 65 65 16038 1 . PRO 66 66 16038 1 . THR 67 67 16038 1 . THR 68 68 16038 1 . THR 69 69 16038 1 . ALA 70 70 16038 1 . GLY 71 71 16038 1 . ARG 72 72 16038 1 . HIS 73 73 16038 1 . PRO 74 74 16038 1 . GLU 75 75 16038 1 . SER 76 76 16038 1 . ASP 77 77 16038 1 . ILE 78 78 16038 1 . PHE 79 79 16038 1 . LEU 80 80 16038 1 . ASP 81 81 16038 1 . ASP 82 82 16038 1 . VAL 83 83 16038 1 . THR 84 84 16038 1 . VAL 85 85 16038 1 . SER 86 86 16038 1 . ARG 87 87 16038 1 . ARG 88 88 16038 1 . HIS 89 89 16038 1 . ALA 90 90 16038 1 . GLU 91 91 16038 1 . PHE 92 92 16038 1 . ARG 93 93 16038 1 . ILE 94 94 16038 1 . ASN 95 95 16038 1 . GLU 96 96 16038 1 . GLY 97 97 16038 1 . GLU 98 98 16038 1 . PHE 99 99 16038 1 . GLU 100 100 16038 1 . VAL 101 101 16038 1 . VAL 102 102 16038 1 . ASP 103 103 16038 1 . VAL 104 104 16038 1 . GLY 105 105 16038 1 . SER 106 106 16038 1 . LEU 107 107 16038 1 . ASN 108 108 16038 1 . GLY 109 109 16038 1 . THR 110 110 16038 1 . TYR 111 111 16038 1 . VAL 112 112 16038 1 . ASN 113 113 16038 1 . ARG 114 114 16038 1 . GLU 115 115 16038 1 . PRO 116 116 16038 1 . ARG 117 117 16038 1 . ASN 118 118 16038 1 . ALA 119 119 16038 1 . GLN 120 120 16038 1 . VAL 121 121 16038 1 . MET 122 122 16038 1 . GLN 123 123 16038 1 . THR 124 124 16038 1 . GLY 125 125 16038 1 . ASP 126 126 16038 1 . GLU 127 127 16038 1 . ILE 128 128 16038 1 . GLN 129 129 16038 1 . ILE 130 130 16038 1 . GLY 131 131 16038 1 . LYS 132 132 16038 1 . PHE 133 133 16038 1 . ARG 134 134 16038 1 . LEU 135 135 16038 1 . VAL 136 136 16038 1 . PHE 137 137 16038 1 . LEU 138 138 16038 1 . ALA 139 139 16038 1 . GLY 140 140 16038 1 . PRO 141 141 16038 1 . ALA 142 142 16038 1 . GLU 143 143 16038 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 16038 _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 $pOdhI . 1718 organism . 'Corynebacterium glutamicum' 'Corynebacterium glutamicum' . . Bacteria . Corynebacterium glutamicum . . . . . . . . . . . . . . . . odhI . . . . 16038 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 16038 _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 $pOdhI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b-TEV . . . . . . 16038 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 16038 _Chem_comp.ID TPO _Chem_comp.Provenance . _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code TPO _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:05:22 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 16038 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16038 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 16038 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 16038 TPO ; InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 ; InChI InChI 1.01 16038 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 16038 TPO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16038 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 16038 TPO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO CB . CB . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO CG2 . CG2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO H . H . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HB . HB . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HG21 . HG21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HG22 . HG22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HG23 . HG23 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HOP2 . HOP2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HOP3 . HOP3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO HXT . HXT . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO O1P . O1P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO O2P . O2P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO O3P . O3P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO OG1 . OG1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO OXT . OXT . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 16038 TPO P . P . . P . N . 0 . . . . no no . . . . . . . . . . . . . . . 16038 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 16038 TPO 2 . SING N H . . . . 16038 TPO 3 . SING N H2 . . . . 16038 TPO 4 . SING CA CB . . . . 16038 TPO 5 . SING CA C . . . . 16038 TPO 6 . SING CA HA . . . . 16038 TPO 7 . SING CB CG2 . . . . 16038 TPO 8 . SING CB OG1 . . . . 16038 TPO 9 . SING CB HB . . . . 16038 TPO 10 . SING CG2 HG21 . . . . 16038 TPO 11 . SING CG2 HG22 . . . . 16038 TPO 12 . SING CG2 HG23 . . . . 16038 TPO 13 . SING OG1 P . . . . 16038 TPO 14 . DOUB P O1P . . . . 16038 TPO 15 . SING P O2P . . . . 16038 TPO 16 . SING P O3P . . . . 16038 TPO 17 . SING O2P HOP2 . . . . 16038 TPO 18 . SING O3P HOP3 . . . . 16038 TPO 19 . DOUB C O . . . . 16038 TPO 20 . SING C OXT . . . . 16038 TPO 21 . SING OXT HXT . . . . 16038 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16038 _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 pOdhI '[U-100% 15N]' . . 1 $pOdhI . . 0.3 . . mM . . . . 16038 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16038 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16038 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16038 _Sample.ID 2 _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 pOdhI '[U-100% 13C; U-100% 15N]' . . 1 $pOdhI . . 0.3 . . mM . . . . 16038 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16038 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16038 2 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16038 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16038 _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 16038 1 pH 6.2 . pH 16038 1 pressure 1 . atm 16038 1 temperature 293 . K 16038 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16038 _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' . . 16038 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16038 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 16038 _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 16038 _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 16038 _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 . . . 16038 1 2 spectrometer_2 Bruker Avance . 600 . . . 16038 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 16038 _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 . . . . . . . . . . . . . . . . 16038 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16038 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16038 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16038 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16038 1 6 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16038 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 16038 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16038 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16038 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16038 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 16038 _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' . . . 16038 1 3 '3D HNCA' . . . 16038 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 176.220 0.001 . 1 . . . . 1 M C . 16038 1 2 . 1 1 1 1 MET CA C 13 55.890 0.001 . 1 . . . . 1 M CA . 16038 1 3 . 1 1 1 1 MET CB C 13 32.630 0.001 . 1 . . . . 1 M CB . 16038 1 4 . 1 1 2 2 SER H H 1 8.404 0.001 . 1 . . . . 2 S H . 16038 1 5 . 1 1 2 2 SER HA H 1 4.430 0.001 . 1 . . . . 2 S HA . 16038 1 6 . 1 1 2 2 SER HB2 H 1 3.870 0.001 . 2 . . . . 2 S QB . 16038 1 7 . 1 1 2 2 SER HB3 H 1 3.870 0.001 . 2 . . . . 2 S QB . 16038 1 8 . 1 1 2 2 SER C C 13 174.220 0.001 . 1 . . . . 2 S C . 16038 1 9 . 1 1 2 2 SER CA C 13 58.650 0.001 . 1 . . . . 2 S CA . 16038 1 10 . 1 1 2 2 SER CB C 13 64.280 0.001 . 1 . . . . 2 S CB . 16038 1 11 . 1 1 2 2 SER N N 15 116.880 0.001 . 1 . . . . 2 S N . 16038 1 12 . 1 1 3 3 ASP H H 1 8.314 0.001 . 1 . . . . 3 D H . 16038 1 13 . 1 1 3 3 ASP HA H 1 4.594 0.001 . 1 . . . . 3 D HA . 16038 1 14 . 1 1 3 3 ASP HB2 H 1 2.691 0.001 . 2 . . . . 3 D HB2 . 16038 1 15 . 1 1 3 3 ASP HB3 H 1 2.644 0.001 . 2 . . . . 3 D HB3 . 16038 1 16 . 1 1 3 3 ASP C C 13 176.070 0.001 . 1 . . . . 3 D C . 16038 1 17 . 1 1 3 3 ASP CA C 13 54.580 0.001 . 1 . . . . 3 D CA . 16038 1 18 . 1 1 3 3 ASP CB C 13 41.530 0.001 . 1 . . . . 3 D CB . 16038 1 19 . 1 1 3 3 ASP N N 15 122.210 0.001 . 1 . . . . 3 D N . 16038 1 20 . 1 1 4 4 ASN H H 1 8.326 0.001 . 1 . . . . 4 N H . 16038 1 21 . 1 1 4 4 ASN HA H 1 4.748 0.001 . 1 . . . . 4 N HA . 16038 1 22 . 1 1 4 4 ASN HB2 H 1 2.829 0.001 . 2 . . . . 4 N HB2 . 16038 1 23 . 1 1 4 4 ASN HB3 H 1 2.678 0.001 . 2 . . . . 4 N HB3 . 16038 1 24 . 1 1 4 4 ASN C C 13 175.130 0.001 . 1 . . . . 4 N C . 16038 1 25 . 1 1 4 4 ASN CA C 13 53.430 0.001 . 1 . . . . 4 N CA . 16038 1 26 . 1 1 4 4 ASN CB C 13 38.920 0.001 . 1 . . . . 4 N CB . 16038 1 27 . 1 1 4 4 ASN N N 15 118.670 0.001 . 1 . . . . 4 N N . 16038 1 28 . 1 1 5 5 ASN H H 1 8.467 0.001 . 1 . . . . 5 N H . 16038 1 29 . 1 1 5 5 ASN HA H 1 4.702 0.001 . 1 . . . . 5 N HA . 16038 1 30 . 1 1 5 5 ASN HB2 H 1 2.841 0.001 . 2 . . . . 5 N HB2 . 16038 1 31 . 1 1 5 5 ASN HB3 H 1 2.776 0.001 . 2 . . . . 5 N HB3 . 16038 1 32 . 1 1 5 5 ASN C C 13 175.700 0.001 . 1 . . . . 5 N C . 16038 1 33 . 1 1 5 5 ASN CA C 13 53.610 0.001 . 1 . . . . 5 N CA . 16038 1 34 . 1 1 5 5 ASN CB C 13 39.090 0.001 . 1 . . . . 5 N CB . 16038 1 35 . 1 1 5 5 ASN N N 15 119.070 0.001 . 1 . . . . 5 N N . 16038 1 36 . 1 1 6 6 GLY H H 1 8.333 0.001 . 1 . . . . 6 G H . 16038 1 37 . 1 1 6 6 GLY HA2 H 1 3.960 0.001 . 2 . . . . 6 G HA2 . 16038 1 38 . 1 1 6 6 GLY HA3 H 1 3.960 0.001 . 2 . . . . 6 G HA3 . 16038 1 39 . 1 1 6 6 GLY C C 13 174.050 0.001 . 1 . . . . 6 G C . 16038 1 40 . 1 1 6 6 GLY CA C 13 45.390 0.001 . 1 . . . . 6 G CA . 16038 1 41 . 1 1 6 6 GLY N N 15 109.000 0.001 . 1 . . . . 6 G N . 16038 1 42 . 1 1 7 7 THR H H 1 8.076 0.001 . 1 . . . . 7 T H . 16038 1 43 . 1 1 7 7 THR HA H 1 4.591 0.001 . 1 . . . . 7 T HA . 16038 1 44 . 1 1 7 7 THR HB H 1 4.128 0.001 . 1 . . . . 7 T HB . 16038 1 45 . 1 1 7 7 THR HG21 H 1 1.222 0.001 . . . . . . 7 T QG2 . 16038 1 46 . 1 1 7 7 THR HG22 H 1 1.222 0.001 . . . . . . 7 T QG2 . 16038 1 47 . 1 1 7 7 THR HG23 H 1 1.222 0.001 . . . . . . 7 T QG2 . 16038 1 48 . 1 1 7 7 THR C C 13 172.840 0.001 . 1 . . . . 7 T C . 16038 1 49 . 1 1 7 7 THR CA C 13 60.050 0.001 . 1 . . . . 7 T CA . 16038 1 50 . 1 1 7 7 THR N N 15 116.910 0.001 . 1 . . . . 7 T N . 16038 1 51 . 1 1 8 8 PRO HA H 1 4.414 0.001 . 1 . . . . 8 P HA . 16038 1 52 . 1 1 8 8 PRO HD2 H 1 3.860 0.001 . 2 . . . . 8 P HD2 . 16038 1 53 . 1 1 8 8 PRO HD3 H 1 3.697 0.001 . 2 . . . . 8 P HD3 . 16038 1 54 . 1 1 8 8 PRO C C 13 176.690 0.001 . 1 . . . . 8 P C . 16038 1 55 . 1 1 8 8 PRO CA C 13 63.090 0.001 . 1 . . . . 8 P CA . 16038 1 56 . 1 1 8 8 PRO CB C 13 32.290 0.001 . 1 . . . . 8 P CB . 16038 1 57 . 1 1 9 9 GLU H H 1 8.467 0.001 . 1 . . . . 9 E H . 16038 1 58 . 1 1 9 9 GLU HA H 1 4.527 0.001 . 1 . . . . 9 E HA . 16038 1 59 . 1 1 9 9 GLU HB2 H 1 2.017 0.001 . 2 . . . . 9 E HB2 . 16038 1 60 . 1 1 9 9 GLU HB3 H 1 1.864 0.001 . 2 . . . . 9 E HB3 . 16038 1 61 . 1 1 9 9 GLU HG2 H 1 2.311 0.001 . 2 . . . . 9 E HG2 . 16038 1 62 . 1 1 9 9 GLU HG3 H 1 2.272 0.001 . 2 . . . . 9 E HG3 . 16038 1 63 . 1 1 9 9 GLU C C 13 174.680 0.001 . 1 . . . . 9 E C . 16038 1 64 . 1 1 9 9 GLU CA C 13 54.550 0.001 . 1 . . . . 9 E CA . 16038 1 65 . 1 1 9 9 GLU N N 15 122.910 0.001 . 1 . . . . 9 E N . 16038 1 66 . 1 1 10 10 PRO HA H 1 4.371 0.001 . 1 . . . . 10 P HA . 16038 1 67 . 1 1 10 10 PRO HB2 H 1 2.261 0.001 . 2 . . . . 10 P HB2 . 16038 1 68 . 1 1 10 10 PRO HB3 H 1 1.834 0.001 . 2 . . . . 10 P HB3 . 16038 1 69 . 1 1 10 10 PRO HD2 H 1 3.797 0.001 . 2 . . . . 10 P HD2 . 16038 1 70 . 1 1 10 10 PRO HD3 H 1 3.663 0.001 . 2 . . . . 10 P HD3 . 16038 1 71 . 1 1 10 10 PRO C C 13 176.820 0.001 . 1 . . . . 10 P C . 16038 1 72 . 1 1 10 10 PRO CA C 13 63.300 0.001 . 1 . . . . 10 P CA . 16038 1 73 . 1 1 10 10 PRO CB C 13 32.290 0.001 . 1 . . . . 10 P CB . 16038 1 74 . 1 1 11 11 GLN H H 1 8.543 0.001 . 1 . . . . 11 Q H . 16038 1 75 . 1 1 11 11 GLN HA H 1 4.334 0.001 . 1 . . . . 11 Q HA . 16038 1 76 . 1 1 11 11 GLN HB2 H 1 2.049 0.001 . 2 . . . . 11 Q HB2 . 16038 1 77 . 1 1 11 11 GLN HB3 H 1 1.957 0.001 . 2 . . . . 11 Q HB3 . 16038 1 78 . 1 1 11 11 GLN HE21 H 1 7.580 0.001 . 2 . . . . 11 Q HE21 . 16038 1 79 . 1 1 11 11 GLN HE22 H 1 6.895 0.001 . 2 . . . . 11 Q HE22 . 16038 1 80 . 1 1 11 11 GLN HG2 H 1 2.369 0.001 . 2 . . . . 11 Q HG2 . 16038 1 81 . 1 1 11 11 GLN HG3 H 1 2.353 0.001 . 2 . . . . 11 Q HG3 . 16038 1 82 . 1 1 11 11 GLN C C 13 176.010 0.001 . 1 . . . . 11 Q C . 16038 1 83 . 1 1 11 11 GLN CA C 13 55.710 0.001 . 1 . . . . 11 Q CA . 16038 1 84 . 1 1 11 11 GLN CB C 13 29.520 0.001 . 1 . . . . 11 Q CB . 16038 1 85 . 1 1 11 11 GLN N N 15 121.100 0.001 . 1 . . . . 11 Q N . 16038 1 86 . 1 1 11 11 GLN NE2 N 15 113.110 0.001 . 1 . . . . 11 Q NE2 . 16038 1 87 . 1 1 12 12 VAL H H 1 8.201 0.001 . 1 . . . . 12 V H . 16038 1 88 . 1 1 12 12 VAL HA H 1 4.144 0.001 . 1 . . . . 12 V HA . 16038 1 89 . 1 1 12 12 VAL HB H 1 2.048 0.001 . 1 . . . . 12 V HB . 16038 1 90 . 1 1 12 12 VAL HG11 H 1 0.905 0.001 . . . . . . 12 V QG1 . 16038 1 91 . 1 1 12 12 VAL HG12 H 1 0.905 0.001 . . . . . . 12 V QG1 . 16038 1 92 . 1 1 12 12 VAL HG13 H 1 0.905 0.001 . . . . . . 12 V QG1 . 16038 1 93 . 1 1 12 12 VAL HG21 H 1 0.905 0.001 . . . . . . 12 V QG2 . 16038 1 94 . 1 1 12 12 VAL HG22 H 1 0.905 0.001 . . . . . . 12 V QG2 . 16038 1 95 . 1 1 12 12 VAL HG23 H 1 0.905 0.001 . . . . . . 12 V QG2 . 16038 1 96 . 1 1 12 12 VAL C C 13 175.940 0.001 . 1 . . . . 12 V C . 16038 1 97 . 1 1 12 12 VAL CA C 13 62.110 0.001 . 1 . . . . 12 V CA . 16038 1 98 . 1 1 12 12 VAL CB C 13 32.800 0.001 . 1 . . . . 12 V CB . 16038 1 99 . 1 1 12 12 VAL N N 15 122.070 0.001 . 1 . . . . 12 V N . 16038 1 100 . 1 1 13 13 GLU H H 1 8.593 0.001 . 1 . . . . 13 E H . 16038 1 101 . 1 1 13 13 GLU HA H 1 4.329 0.001 . 1 . . . . 13 E HA . 16038 1 102 . 1 1 13 13 GLU HB2 H 1 2.036 0.001 . 2 . . . . 13 E HB2 . 16038 1 103 . 1 1 13 13 GLU HB3 H 1 1.905 0.001 . 2 . . . . 13 E HB3 . 16038 1 104 . 1 1 13 13 GLU HG2 H 1 2.303 0.001 . 2 . . . . 13 E HG2 . 16038 1 105 . 1 1 13 13 GLU HG3 H 1 2.281 0.001 . 2 . . . . 13 E HG3 . 16038 1 106 . 1 1 13 13 GLU C C 13 176.720 0.001 . 1 . . . . 13 E C . 16038 1 107 . 1 1 13 13 GLU CA C 13 56.830 0.001 . 1 . . . . 13 E CA . 16038 1 108 . 1 1 13 13 GLU CB C 13 30.860 0.001 . 1 . . . . 13 E CB . 16038 1 109 . 1 1 13 13 GLU N N 15 124.660 0.001 . 1 . . . . 13 E N . 16038 1 110 . 1 1 14 14 THR H H 1 8.138 0.001 . 1 . . . . 14 T H . 16038 1 111 . 1 1 14 14 THR HA H 1 4.035 0.001 . 1 . . . . 14 T HA . 16038 1 112 . 1 1 14 14 THR HB H 1 4.111 0.001 . 1 . . . . 14 T HB . 16038 1 113 . 1 1 14 14 THR HG21 H 1 1.352 0.001 . . . . . . 14 T QG2 . 16038 1 114 . 1 1 14 14 THR HG22 H 1 1.352 0.001 . . . . . . 14 T QG2 . 16038 1 115 . 1 1 14 14 THR HG23 H 1 1.352 0.001 . . . . . . 14 T QG2 . 16038 1 116 . 1 1 14 14 THR C C 13 172.990 0.001 . 1 . . . . 14 T C . 16038 1 117 . 1 1 14 14 THR CA C 13 63.380 0.001 . 1 . . . . 14 T CA . 16038 1 118 . 1 1 14 14 THR CB C 13 69.980 0.001 . 1 . . . . 14 T CB . 16038 1 119 . 1 1 14 14 THR N N 15 117.710 0.001 . 1 . . . . 14 T N . 16038 1 120 . 1 1 15 15 TPO H H 1 9.837 0.001 . 1 . . . . 15 T H . 16038 1 121 . 1 1 15 15 TPO HA H 1 4.291 0.001 . 1 . . . . 15 T HA . 16038 1 122 . 1 1 15 15 TPO HB H 1 4.009 0.001 . 1 . . . . 15 T HB . 16038 1 123 . 1 1 15 15 TPO HG21 H 1 1.418 0.001 . . . . . . 15 T QG2 . 16038 1 124 . 1 1 15 15 TPO HG22 H 1 1.418 0.001 . . . . . . 15 T QG2 . 16038 1 125 . 1 1 15 15 TPO HG23 H 1 1.418 0.001 . . . . . . 15 T QG2 . 16038 1 126 . 1 1 15 15 TPO C C 13 173.490 0.001 . 1 . . . . 15 T C . 16038 1 127 . 1 1 15 15 TPO CA C 13 63.630 0.001 . 1 . . . . 15 T CA . 16038 1 128 . 1 1 15 15 TPO CB C 13 72.500 0.001 . 1 . . . . 15 T CB . 16038 1 129 . 1 1 15 15 TPO N N 15 124.590 0.001 . 1 . . . . 15 T N . 16038 1 130 . 1 1 16 16 SER H H 1 8.391 0.001 . 1 . . . . 16 S H . 16038 1 131 . 1 1 16 16 SER HA H 1 4.547 0.001 . 1 . . . . 16 S HA . 16038 1 132 . 1 1 16 16 SER HB2 H 1 3.644 0.001 . 2 . . . . 16 S HB2 . 16038 1 133 . 1 1 16 16 SER HB3 H 1 3.507 0.001 . 2 . . . . 16 S HB3 . 16038 1 134 . 1 1 16 16 SER C C 13 174.180 0.001 . 1 . . . . 16 S C . 16038 1 135 . 1 1 16 16 SER CA C 13 57.770 0.001 . 1 . . . . 16 S CA . 16038 1 136 . 1 1 16 16 SER CB C 13 65.530 0.001 . 1 . . . . 16 S CB . 16038 1 137 . 1 1 16 16 SER N N 15 122.340 0.001 . 1 . . . . 16 S N . 16038 1 138 . 1 1 17 17 VAL H H 1 8.458 0.001 . 1 . . . . 17 V H . 16038 1 139 . 1 1 17 17 VAL HA H 1 4.183 0.001 . 1 . . . . 17 V HA . 16038 1 140 . 1 1 17 17 VAL HB H 1 1.976 0.001 . 1 . . . . 17 V HB . 16038 1 141 . 1 1 17 17 VAL HG11 H 1 1.078 0.001 . . . . . . 17 V QG1 . 16038 1 142 . 1 1 17 17 VAL HG12 H 1 1.078 0.001 . . . . . . 17 V QG1 . 16038 1 143 . 1 1 17 17 VAL HG13 H 1 1.078 0.001 . . . . . . 17 V QG1 . 16038 1 144 . 1 1 17 17 VAL HG21 H 1 0.938 0.001 . . . . . . 17 V QG2 . 16038 1 145 . 1 1 17 17 VAL HG22 H 1 0.938 0.001 . . . . . . 17 V QG2 . 16038 1 146 . 1 1 17 17 VAL HG23 H 1 0.938 0.001 . . . . . . 17 V QG2 . 16038 1 147 . 1 1 17 17 VAL C C 13 175.950 0.001 . 1 . . . . 17 V C . 16038 1 148 . 1 1 17 17 VAL CA C 13 63.780 0.001 . 1 . . . . 17 V CA . 16038 1 149 . 1 1 17 17 VAL CB C 13 32.460 0.001 . 1 . . . . 17 V CB . 16038 1 150 . 1 1 17 17 VAL N N 15 124.860 0.001 . 1 . . . . 17 V N . 16038 1 151 . 1 1 18 18 PHE H H 1 8.579 0.001 . 1 . . . . 18 F H . 16038 1 152 . 1 1 18 18 PHE HA H 1 4.650 0.001 . 1 . . . . 18 F HA . 16038 1 153 . 1 1 18 18 PHE HB2 H 1 3.025 0.001 . 2 . . . . 18 F HB2 . 16038 1 154 . 1 1 18 18 PHE HB3 H 1 2.832 0.001 . 2 . . . . 18 F HB3 . 16038 1 155 . 1 1 18 18 PHE HD1 H 1 7.080 0.001 . 3 . . . . 18 F QD . 16038 1 156 . 1 1 18 18 PHE HD2 H 1 7.080 0.001 . 3 . . . . 18 F QD . 16038 1 157 . 1 1 18 18 PHE HE1 H 1 7.110 0.001 . 3 . . . . 18 F QE . 16038 1 158 . 1 1 18 18 PHE HE2 H 1 7.110 0.001 . 3 . . . . 18 F QE . 16038 1 159 . 1 1 18 18 PHE HZ H 1 7.010 0.001 . 1 . . . . 18 F HZ . 16038 1 160 . 1 1 18 18 PHE C C 13 173.450 0.001 . 1 . . . . 18 F C . 16038 1 161 . 1 1 18 18 PHE CA C 13 57.480 0.001 . 1 . . . . 18 F CA . 16038 1 162 . 1 1 18 18 PHE CB C 13 41.950 0.001 . 1 . . . . 18 F CB . 16038 1 163 . 1 1 18 18 PHE N N 15 127.160 0.001 . 1 . . . . 18 F N . 16038 1 164 . 1 1 19 19 ARG H H 1 7.920 0.001 . 1 . . . . 19 R H . 16038 1 165 . 1 1 19 19 ARG HA H 1 4.196 0.001 . 1 . . . . 19 R HA . 16038 1 166 . 1 1 19 19 ARG HB2 H 1 1.667 0.001 . 2 . . . . 19 R HB2 . 16038 1 167 . 1 1 19 19 ARG HB3 H 1 1.534 0.001 . 2 . . . . 19 R HB3 . 16038 1 168 . 1 1 19 19 ARG HG2 H 1 1.488 0.001 . 2 . . . . 19 R HG2 . 16038 1 169 . 1 1 19 19 ARG HG3 H 1 1.431 0.001 . 2 . . . . 19 R HG3 . 16038 1 170 . 1 1 19 19 ARG C C 13 174.930 0.001 . 1 . . . . 19 R C . 16038 1 171 . 1 1 19 19 ARG CA C 13 54.800 0.001 . 1 . . . . 19 R CA . 16038 1 172 . 1 1 19 19 ARG CB C 13 30.610 0.001 . 1 . . . . 19 R CB . 16038 1 173 . 1 1 19 19 ARG N N 15 127.500 0.001 . 1 . . . . 19 R N . 16038 1 174 . 1 1 20 20 ALA H H 1 8.067 0.001 . 1 . . . . 20 A H . 16038 1 175 . 1 1 20 20 ALA HA H 1 3.729 0.001 . 1 . . . . 20 A HA . 16038 1 176 . 1 1 20 20 ALA HB1 H 1 1.047 0.001 . . . . . . 20 A QB . 16038 1 177 . 1 1 20 20 ALA HB2 H 1 1.047 0.001 . . . . . . 20 A QB . 16038 1 178 . 1 1 20 20 ALA HB3 H 1 1.047 0.001 . . . . . . 20 A QB . 16038 1 179 . 1 1 20 20 ALA C C 13 177.630 0.001 . 1 . . . . 20 A C . 16038 1 180 . 1 1 20 20 ALA CA C 13 53.280 0.001 . 1 . . . . 20 A CA . 16038 1 181 . 1 1 20 20 ALA CB C 13 18.860 0.001 . 1 . . . . 20 A CB . 16038 1 182 . 1 1 20 20 ALA N N 15 126.460 0.001 . 1 . . . . 20 A N . 16038 1 183 . 1 1 21 21 ASP H H 1 8.355 0.001 . 1 . . . . 21 D H . 16038 1 184 . 1 1 21 21 ASP HA H 1 4.350 0.001 . 1 . . . . 21 D HA . 16038 1 185 . 1 1 21 21 ASP HB2 H 1 2.623 0.001 . 2 . . . . 21 D HB2 . 16038 1 186 . 1 1 21 21 ASP HB3 H 1 2.462 0.001 . 2 . . . . 21 D HB3 . 16038 1 187 . 1 1 21 21 ASP C C 13 176.720 0.001 . 1 . . . . 21 D C . 16038 1 188 . 1 1 21 21 ASP CA C 13 54.480 0.001 . 1 . . . . 21 D CA . 16038 1 189 . 1 1 21 21 ASP CB C 13 40.350 0.001 . 1 . . . . 21 D CB . 16038 1 190 . 1 1 21 21 ASP N N 15 117.850 0.001 . 1 . . . . 21 D N . 16038 1 191 . 1 1 22 22 LEU H H 1 7.705 0.001 . 1 . . . . 22 L H . 16038 1 192 . 1 1 22 22 LEU HA H 1 4.088 0.001 . 1 . . . . 22 L HA . 16038 1 193 . 1 1 22 22 LEU HB2 H 1 1.512 0.001 . 2 . . . . 22 L HB2 . 16038 1 194 . 1 1 22 22 LEU HB3 H 1 1.469 0.001 . 2 . . . . 22 L HB3 . 16038 1 195 . 1 1 22 22 LEU HD11 H 1 0.705 0.001 . . . . . . 22 L QD1 . 16038 1 196 . 1 1 22 22 LEU HD12 H 1 0.705 0.001 . . . . . . 22 L QD1 . 16038 1 197 . 1 1 22 22 LEU HD13 H 1 0.705 0.001 . . . . . . 22 L QD1 . 16038 1 198 . 1 1 22 22 LEU HD21 H 1 0.599 0.001 . . . . . . 22 L QD2 . 16038 1 199 . 1 1 22 22 LEU HD22 H 1 0.599 0.001 . . . . . . 22 L QD2 . 16038 1 200 . 1 1 22 22 LEU HD23 H 1 0.599 0.001 . . . . . . 22 L QD2 . 16038 1 201 . 1 1 22 22 LEU HG H 1 1.398 0.001 . 1 . . . . 22 L HG . 16038 1 202 . 1 1 22 22 LEU C C 13 177.760 0.001 . 1 . . . . 22 L C . 16038 1 203 . 1 1 22 22 LEU CA C 13 55.780 0.001 . 1 . . . . 22 L CA . 16038 1 204 . 1 1 22 22 LEU CB C 13 41.860 0.001 . 1 . . . . 22 L CB . 16038 1 205 . 1 1 22 22 LEU N N 15 121.600 0.001 . 1 . . . . 22 L N . 16038 1 206 . 1 1 23 23 LEU H H 1 7.717 0.001 . 1 . . . . 23 L H . 16038 1 207 . 1 1 23 23 LEU HA H 1 4.166 0.001 . 1 . . . . 23 L HA . 16038 1 208 . 1 1 23 23 LEU HB2 H 1 1.631 0.001 . 2 . . . . 23 L HB2 . 16038 1 209 . 1 1 23 23 LEU HB3 H 1 1.544 0.001 . 2 . . . . 23 L HB3 . 16038 1 210 . 1 1 23 23 LEU HD11 H 1 0.828 0.001 . . . . . . 23 L QD1 . 16038 1 211 . 1 1 23 23 LEU HD12 H 1 0.828 0.001 . . . . . . 23 L QD1 . 16038 1 212 . 1 1 23 23 LEU HD13 H 1 0.828 0.001 . . . . . . 23 L QD1 . 16038 1 213 . 1 1 23 23 LEU HD21 H 1 0.777 0.001 . . . . . . 23 L QD2 . 16038 1 214 . 1 1 23 23 LEU HD22 H 1 0.777 0.001 . . . . . . 23 L QD2 . 16038 1 215 . 1 1 23 23 LEU HD23 H 1 0.777 0.001 . . . . . . 23 L QD2 . 16038 1 216 . 1 1 23 23 LEU HG H 1 1.514 0.001 . 1 . . . . 23 L HG . 16038 1 217 . 1 1 23 23 LEU C C 13 177.840 0.001 . 1 . . . . 23 L C . 16038 1 218 . 1 1 23 23 LEU CA C 13 55.960 0.001 . 1 . . . . 23 L CA . 16038 1 219 . 1 1 23 23 LEU CB C 13 41.950 0.001 . 1 . . . . 23 L CB . 16038 1 220 . 1 1 23 23 LEU N N 15 120.360 0.001 . 1 . . . . 23 L N . 16038 1 221 . 1 1 24 24 LYS H H 1 7.933 0.001 . 1 . . . . 24 K H . 16038 1 222 . 1 1 24 24 LYS HA H 1 4.174 0.001 . 1 . . . . 24 K HA . 16038 1 223 . 1 1 24 24 LYS HB2 H 1 1.778 0.001 . 2 . . . . 24 K HB2 . 16038 1 224 . 1 1 24 24 LYS HB3 H 1 1.730 0.001 . 2 . . . . 24 K HB3 . 16038 1 225 . 1 1 24 24 LYS HD2 H 1 1.619 0.001 . 2 . . . . 24 K QD . 16038 1 226 . 1 1 24 24 LYS HD3 H 1 1.619 0.001 . 2 . . . . 24 K QD . 16038 1 227 . 1 1 24 24 LYS HG2 H 1 1.391 0.001 . 2 . . . . 24 K HG2 . 16038 1 228 . 1 1 24 24 LYS HG3 H 1 1.361 0.001 . 2 . . . . 24 K HG3 . 16038 1 229 . 1 1 24 24 LYS C C 13 177.190 0.001 . 1 . . . . 24 K C . 16038 1 230 . 1 1 24 24 LYS CA C 13 57.050 0.001 . 1 . . . . 24 K CA . 16038 1 231 . 1 1 24 24 LYS CB C 13 32.880 0.001 . 1 . . . . 24 K CB . 16038 1 232 . 1 1 24 24 LYS N N 15 121.120 0.001 . 1 . . . . 24 K N . 16038 1 233 . 1 1 25 25 GLU H H 1 8.160 0.001 . 1 . . . . 25 E H . 16038 1 234 . 1 1 25 25 GLU HA H 1 4.199 0.001 . 1 . . . . 25 E HA . 16038 1 235 . 1 1 25 25 GLU HB2 H 1 2.021 0.001 . 2 . . . . 25 E HB2 . 16038 1 236 . 1 1 25 25 GLU HB3 H 1 1.931 0.001 . 2 . . . . 25 E HB3 . 16038 1 237 . 1 1 25 25 GLU HG2 H 1 2.211 0.001 . 2 . . . . 25 E HG2 . 16038 1 238 . 1 1 25 25 GLU HG3 H 1 2.211 0.001 . 2 . . . . 25 E HG3 . 16038 1 239 . 1 1 25 25 GLU C C 13 176.900 0.001 . 1 . . . . 25 E C . 16038 1 240 . 1 1 25 25 GLU CA C 13 57.010 0.001 . 1 . . . . 25 E CA . 16038 1 241 . 1 1 25 25 GLU CB C 13 30.280 0.001 . 1 . . . . 25 E CB . 16038 1 242 . 1 1 25 25 GLU N N 15 121.550 0.001 . 1 . . . . 25 E N . 16038 1 243 . 1 1 26 26 MET H H 1 8.270 0.001 . 1 . . . . 26 M H . 16038 1 244 . 1 1 26 26 MET HA H 1 4.360 0.001 . 1 . . . . 26 M HA . 16038 1 245 . 1 1 26 26 MET HB2 H 1 2.011 0.001 . 2 . . . . 26 M HB2 . 16038 1 246 . 1 1 26 26 MET HB3 H 1 2.011 0.001 . 2 . . . . 26 M HB3 . 16038 1 247 . 1 1 26 26 MET HE1 H 1 2.471 0.001 . . . . . . 26 M QE . 16038 1 248 . 1 1 26 26 MET HE2 H 1 2.471 0.001 . . . . . . 26 M QE . 16038 1 249 . 1 1 26 26 MET HE3 H 1 2.471 0.001 . . . . . . 26 M QE . 16038 1 250 . 1 1 26 26 MET HG2 H 1 2.572 0.001 . 2 . . . . 26 M HG2 . 16038 1 251 . 1 1 26 26 MET HG3 H 1 2.572 0.001 . 2 . . . . 26 M HG3 . 16038 1 252 . 1 1 26 26 MET C C 13 176.440 0.001 . 1 . . . . 26 M C . 16038 1 253 . 1 1 26 26 MET CA C 13 56.180 0.001 . 1 . . . . 26 M CA . 16038 1 254 . 1 1 26 26 MET CB C 13 33.050 0.001 . 1 . . . . 26 M CB . 16038 1 255 . 1 1 26 26 MET N N 15 120.730 0.001 . 1 . . . . 26 M N . 16038 1 256 . 1 1 27 27 GLU H H 1 8.297 0.001 . 1 . . . . 27 E H . 16038 1 257 . 1 1 27 27 GLU HA H 1 4.264 0.001 . 1 . . . . 27 E HA . 16038 1 258 . 1 1 27 27 GLU HB2 H 1 2.044 0.001 . 2 . . . . 27 E HB2 . 16038 1 259 . 1 1 27 27 GLU HB3 H 1 1.956 0.001 . 2 . . . . 27 E HB3 . 16038 1 260 . 1 1 27 27 GLU HG2 H 1 2.270 0.001 . 2 . . . . 27 E HG2 . 16038 1 261 . 1 1 27 27 GLU HG3 H 1 2.270 0.001 . 2 . . . . 27 E HG3 . 16038 1 262 . 1 1 27 27 GLU C C 13 176.650 0.001 . 1 . . . . 27 E C . 16038 1 263 . 1 1 27 27 GLU CA C 13 56.830 0.001 . 1 . . . . 27 E CA . 16038 1 264 . 1 1 27 27 GLU CB C 13 30.530 0.001 . 1 . . . . 27 E CB . 16038 1 265 . 1 1 27 27 GLU N N 15 121.650 0.001 . 1 . . . . 27 E N . 16038 1 266 . 1 1 28 28 SER H H 1 8.279 0.001 . 1 . . . . 28 S H . 16038 1 267 . 1 1 28 28 SER HA H 1 4.473 0.001 . 1 . . . . 28 S HA . 16038 1 268 . 1 1 28 28 SER HB2 H 1 3.868 0.001 . 2 . . . . 28 S HB2 . 16038 1 269 . 1 1 28 28 SER HB3 H 1 3.868 0.001 . 2 . . . . 28 S HB3 . 16038 1 270 . 1 1 28 28 SER C C 13 174.760 0.001 . 1 . . . . 28 S C . 16038 1 271 . 1 1 28 28 SER CA C 13 58.460 0.001 . 1 . . . . 28 S CA . 16038 1 272 . 1 1 28 28 SER CB C 13 64.190 0.001 . 1 . . . . 28 S CB . 16038 1 273 . 1 1 28 28 SER N N 15 116.610 0.001 . 1 . . . . 28 S N . 16038 1 274 . 1 1 29 29 SER H H 1 8.443 0.001 . 1 . . . . 29 S H . 16038 1 275 . 1 1 29 29 SER HA H 1 4.541 0.001 . 1 . . . . 29 S HA . 16038 1 276 . 1 1 29 29 SER HB2 H 1 3.900 0.001 . 2 . . . . 29 S HB2 . 16038 1 277 . 1 1 29 29 SER HB3 H 1 3.900 0.001 . 2 . . . . 29 S HB3 . 16038 1 278 . 1 1 29 29 SER C C 13 174.950 0.001 . 1 . . . . 29 S C . 16038 1 279 . 1 1 29 29 SER CA C 13 58.530 0.001 . 1 . . . . 29 S CA . 16038 1 280 . 1 1 29 29 SER CB C 13 64.190 0.001 . 1 . . . . 29 S CB . 16038 1 281 . 1 1 29 29 SER N N 15 118.290 0.001 . 1 . . . . 29 S N . 16038 1 282 . 1 1 30 30 THR H H 1 8.220 0.001 . 1 . . . . 30 T H . 16038 1 283 . 1 1 30 30 THR HA H 1 4.372 0.001 . 1 . . . . 30 T HA . 16038 1 284 . 1 1 30 30 THR HB H 1 3.986 0.001 . 1 . . . . 30 T HB . 16038 1 285 . 1 1 30 30 THR HG21 H 1 1.385 0.001 . . . . . . 30 T QG2 . 16038 1 286 . 1 1 30 30 THR HG22 H 1 1.385 0.001 . . . . . . 30 T QG2 . 16038 1 287 . 1 1 30 30 THR HG23 H 1 1.385 0.001 . . . . . . 30 T QG2 . 16038 1 288 . 1 1 30 30 THR C C 13 175.280 0.001 . 1 . . . . 30 T C . 16038 1 289 . 1 1 30 30 THR CA C 13 62.260 0.001 . 1 . . . . 30 T CA . 16038 1 290 . 1 1 30 30 THR CB C 13 69.900 0.001 . 1 . . . . 30 T CB . 16038 1 291 . 1 1 30 30 THR N N 15 115.600 0.001 . 1 . . . . 30 T N . 16038 1 292 . 1 1 31 31 GLY H H 1 8.401 0.001 . 1 . . . . 31 G H . 16038 1 293 . 1 1 31 31 GLY HA2 H 1 4.005 0.001 . 2 . . . . 31 G HA2 . 16038 1 294 . 1 1 31 31 GLY HA3 H 1 4.005 0.001 . 2 . . . . 31 G HA3 . 16038 1 295 . 1 1 31 31 GLY C C 13 174.160 0.001 . 1 . . . . 31 G C . 16038 1 296 . 1 1 31 31 GLY CA C 13 45.470 0.001 . 1 . . . . 31 G CA . 16038 1 297 . 1 1 31 31 GLY N N 15 111.270 0.001 . 1 . . . . 31 G N . 16038 1 298 . 1 1 32 32 THR H H 1 8.034 0.001 . 1 . . . . 32 T H . 16038 1 299 . 1 1 32 32 THR HA H 1 4.319 0.001 . 1 . . . . 32 T HA . 16038 1 300 . 1 1 32 32 THR HB H 1 4.159 0.001 . 1 . . . . 32 T HB . 16038 1 301 . 1 1 32 32 THR HG21 H 1 1.164 0.001 . . . . . . 32 T QG2 . 16038 1 302 . 1 1 32 32 THR HG22 H 1 1.164 0.001 . . . . . . 32 T QG2 . 16038 1 303 . 1 1 32 32 THR HG23 H 1 1.164 0.001 . . . . . . 32 T QG2 . 16038 1 304 . 1 1 32 32 THR C C 13 174.130 0.001 . 1 . . . . 32 T C . 16038 1 305 . 1 1 32 32 THR CA C 13 61.710 0.001 . 1 . . . . 32 T CA . 16038 1 306 . 1 1 32 32 THR CB C 13 70.150 0.001 . 1 . . . . 32 T CB . 16038 1 307 . 1 1 32 32 THR N N 15 113.770 0.001 . 1 . . . . 32 T N . 16038 1 308 . 1 1 33 33 ALA H H 1 8.410 0.001 . 1 . . . . 33 A H . 16038 1 309 . 1 1 33 33 ALA HA H 1 4.581 0.001 . 1 . . . . 33 A HA . 16038 1 310 . 1 1 33 33 ALA HB1 H 1 1.339 0.001 . . . . . . 33 A QB . 16038 1 311 . 1 1 33 33 ALA HB2 H 1 1.339 0.001 . . . . . . 33 A QB . 16038 1 312 . 1 1 33 33 ALA HB3 H 1 1.339 0.001 . . . . . . 33 A QB . 16038 1 313 . 1 1 33 33 ALA C C 13 175.490 0.001 . 1 . . . . 33 A C . 16038 1 314 . 1 1 33 33 ALA CA C 13 50.680 0.001 . 1 . . . . 33 A CA . 16038 1 315 . 1 1 33 33 ALA N N 15 128.320 0.001 . 1 . . . . 33 A N . 16038 1 316 . 1 1 34 34 PRO HA H 1 4.389 0.001 . 1 . . . . 34 P HA . 16038 1 317 . 1 1 34 34 PRO HB2 H 1 2.267 0.001 . 2 . . . . 34 P HB2 . 16038 1 318 . 1 1 34 34 PRO HB3 H 1 1.886 0.001 . 2 . . . . 34 P HB3 . 16038 1 319 . 1 1 34 34 PRO HD2 H 1 3.812 0.001 . 2 . . . . 34 P HD2 . 16038 1 320 . 1 1 34 34 PRO HD3 H 1 3.630 0.001 . 2 . . . . 34 P HD3 . 16038 1 321 . 1 1 34 34 PRO C C 13 176.650 0.001 . 1 . . . . 34 P C . 16038 1 322 . 1 1 34 34 PRO CA C 13 63.090 0.001 . 1 . . . . 34 P CA . 16038 1 323 . 1 1 34 34 PRO CB C 13 32.210 0.001 . 1 . . . . 34 P CB . 16038 1 324 . 1 1 35 35 ALA H H 1 8.433 0.001 . 1 . . . . 35 A H . 16038 1 325 . 1 1 35 35 ALA HA H 1 4.275 0.001 . 1 . . . . 35 A HA . 16038 1 326 . 1 1 35 35 ALA HB1 H 1 1.366 0.001 . . . . . . 35 A QB . 16038 1 327 . 1 1 35 35 ALA HB2 H 1 1.366 0.001 . . . . . . 35 A QB . 16038 1 328 . 1 1 35 35 ALA HB3 H 1 1.366 0.001 . . . . . . 35 A QB . 16038 1 329 . 1 1 35 35 ALA C C 13 177.730 0.001 . 1 . . . . 35 A C . 16038 1 330 . 1 1 35 35 ALA CA C 13 52.590 0.001 . 1 . . . . 35 A CA . 16038 1 331 . 1 1 35 35 ALA CB C 13 19.450 0.001 . 1 . . . . 35 A CB . 16038 1 332 . 1 1 35 35 ALA N N 15 124.330 0.001 . 1 . . . . 35 A N . 16038 1 333 . 1 1 36 36 SER H H 1 8.259 0.001 . 1 . . . . 36 S H . 16038 1 334 . 1 1 36 36 SER HA H 1 4.474 0.001 . 1 . . . . 36 S HA . 16038 1 335 . 1 1 36 36 SER HB2 H 1 3.867 0.001 . 2 . . . . 36 S HB2 . 16038 1 336 . 1 1 36 36 SER HB3 H 1 3.820 0.001 . 2 . . . . 36 S HB3 . 16038 1 337 . 1 1 36 36 SER C C 13 174.860 0.001 . 1 . . . . 36 S C . 16038 1 338 . 1 1 36 36 SER CA C 13 58.130 0.001 . 1 . . . . 36 S CA . 16038 1 339 . 1 1 36 36 SER CB C 13 64.190 0.001 . 1 . . . . 36 S CB . 16038 1 340 . 1 1 36 36 SER N N 15 114.560 0.001 . 1 . . . . 36 S N . 16038 1 341 . 1 1 37 37 THR H H 1 8.325 0.001 . 1 . . . . 37 T H . 16038 1 342 . 1 1 37 37 THR HA H 1 4.281 0.001 . 1 . . . . 37 T HA . 16038 1 343 . 1 1 37 37 THR HG21 H 1 1.150 0.001 . . . . . . 37 T QG2 . 16038 1 344 . 1 1 37 37 THR HG22 H 1 1.150 0.001 . . . . . . 37 T QG2 . 16038 1 345 . 1 1 37 37 THR HG23 H 1 1.150 0.001 . . . . . . 37 T QG2 . 16038 1 346 . 1 1 37 37 THR C C 13 175.110 0.001 . 1 . . . . 37 T C . 16038 1 347 . 1 1 37 37 THR CA C 13 62.260 0.001 . 1 . . . . 37 T CA . 16038 1 348 . 1 1 37 37 THR CB C 13 70.150 0.001 . 1 . . . . 37 T CB . 16038 1 349 . 1 1 37 37 THR N N 15 115.300 0.001 . 1 . . . . 37 T N . 16038 1 350 . 1 1 38 38 GLY H H 1 8.511 0.001 . 1 . . . . 38 G H . 16038 1 351 . 1 1 38 38 GLY HA2 H 1 3.975 0.001 . 2 . . . . 38 G HA2 . 16038 1 352 . 1 1 38 38 GLY HA3 H 1 3.809 0.001 . 2 . . . . 38 G HA3 . 16038 1 353 . 1 1 38 38 GLY C C 13 174.470 0.001 . 1 . . . . 38 G C . 16038 1 354 . 1 1 38 38 GLY CA C 13 45.470 0.001 . 1 . . . . 38 G CA . 16038 1 355 . 1 1 38 38 GLY N N 15 110.440 0.001 . 1 . . . . 38 G N . 16038 1 356 . 1 1 39 39 ALA H H 1 8.245 0.001 . 1 . . . . 39 A H . 16038 1 357 . 1 1 39 39 ALA HA H 1 4.164 0.001 . 1 . . . . 39 A HA . 16038 1 358 . 1 1 39 39 ALA HB1 H 1 1.186 0.001 . . . . . . 39 A QB . 16038 1 359 . 1 1 39 39 ALA HB2 H 1 1.186 0.001 . . . . . . 39 A QB . 16038 1 360 . 1 1 39 39 ALA HB3 H 1 1.186 0.001 . . . . . . 39 A QB . 16038 1 361 . 1 1 39 39 ALA C C 13 177.590 0.001 . 1 . . . . 39 A C . 16038 1 362 . 1 1 39 39 ALA CA C 13 52.560 0.001 . 1 . . . . 39 A CA . 16038 1 363 . 1 1 39 39 ALA CB C 13 19.360 0.001 . 1 . . . . 39 A CB . 16038 1 364 . 1 1 39 39 ALA N N 15 124.080 0.001 . 1 . . . . 39 A N . 16038 1 365 . 1 1 40 40 GLU H H 1 8.721 0.001 . 1 . . . . 40 E H . 16038 1 366 . 1 1 40 40 GLU HA H 1 4.083 0.001 . 1 . . . . 40 E HA . 16038 1 367 . 1 1 40 40 GLU HB2 H 1 1.935 0.001 . 2 . . . . 40 E HB2 . 16038 1 368 . 1 1 40 40 GLU HB3 H 1 1.847 0.001 . 2 . . . . 40 E HB3 . 16038 1 369 . 1 1 40 40 GLU HG2 H 1 2.202 0.001 . 2 . . . . 40 E HG2 . 16038 1 370 . 1 1 40 40 GLU HG3 H 1 2.202 0.001 . 2 . . . . 40 E HG3 . 16038 1 371 . 1 1 40 40 GLU C C 13 176.320 0.001 . 1 . . . . 40 E C . 16038 1 372 . 1 1 40 40 GLU CA C 13 57.910 0.001 . 1 . . . . 40 E CA . 16038 1 373 . 1 1 40 40 GLU CB C 13 29.520 0.001 . 1 . . . . 40 E CB . 16038 1 374 . 1 1 40 40 GLU N N 15 118.270 0.001 . 1 . . . . 40 E N . 16038 1 375 . 1 1 41 41 ASN H H 1 8.226 0.001 . 1 . . . . 41 N H . 16038 1 376 . 1 1 41 41 ASN HA H 1 4.716 0.001 . 1 . . . . 41 N HA . 16038 1 377 . 1 1 41 41 ASN HB2 H 1 2.824 0.001 . 2 . . . . 41 N HB2 . 16038 1 378 . 1 1 41 41 ASN HB3 H 1 2.580 0.001 . 2 . . . . 41 N HB3 . 16038 1 379 . 1 1 41 41 ASN HD21 H 1 7.514 0.001 . 2 . . . . 41 N HD21 . 16038 1 380 . 1 1 41 41 ASN HD22 H 1 6.829 0.001 . 2 . . . . 41 N HD22 . 16038 1 381 . 1 1 41 41 ASN C C 13 174.800 0.001 . 1 . . . . 41 N C . 16038 1 382 . 1 1 41 41 ASN CA C 13 52.880 0.001 . 1 . . . . 41 N CA . 16038 1 383 . 1 1 41 41 ASN CB C 13 38.840 0.001 . 1 . . . . 41 N CB . 16038 1 384 . 1 1 41 41 ASN N N 15 117.620 0.001 . 1 . . . . 41 N N . 16038 1 385 . 1 1 41 41 ASN ND2 N 15 112.960 0.001 . 1 . . . . 41 N ND2 . 16038 1 386 . 1 1 42 42 LEU H H 1 7.629 0.001 . 1 . . . . 42 L H . 16038 1 387 . 1 1 42 42 LEU HA H 1 4.418 0.001 . 1 . . . . 42 L HA . 16038 1 388 . 1 1 42 42 LEU HB2 H 1 1.505 0.001 . 2 . . . . 42 L HB2 . 16038 1 389 . 1 1 42 42 LEU HB3 H 1 1.430 0.001 . 2 . . . . 42 L HB3 . 16038 1 390 . 1 1 42 42 LEU HD11 H 1 0.668 0.001 . . . . . . 42 L QD1 . 16038 1 391 . 1 1 42 42 LEU HD12 H 1 0.668 0.001 . . . . . . 42 L QD1 . 16038 1 392 . 1 1 42 42 LEU HD13 H 1 0.668 0.001 . . . . . . 42 L QD1 . 16038 1 393 . 1 1 42 42 LEU HD21 H 1 0.572 0.001 . . . . . . 42 L QD2 . 16038 1 394 . 1 1 42 42 LEU HD22 H 1 0.572 0.001 . . . . . . 42 L QD2 . 16038 1 395 . 1 1 42 42 LEU HD23 H 1 0.572 0.001 . . . . . . 42 L QD2 . 16038 1 396 . 1 1 42 42 LEU HG H 1 1.373 0.001 . 1 . . . . 42 L HG . 16038 1 397 . 1 1 42 42 LEU C C 13 174.610 0.001 . 1 . . . . 42 L C . 16038 1 398 . 1 1 42 42 LEU CA C 13 53.170 0.001 . 1 . . . . 42 L CA . 16038 1 399 . 1 1 42 42 LEU N N 15 123.010 0.001 . 1 . . . . 42 L N . 16038 1 400 . 1 1 43 43 PRO HA H 1 4.366 0.001 . 1 . . . . 43 P HA . 16038 1 401 . 1 1 43 43 PRO HB2 H 1 2.283 0.001 . 2 . . . . 43 P HB2 . 16038 1 402 . 1 1 43 43 PRO HB3 H 1 1.808 0.001 . 2 . . . . 43 P HB3 . 16038 1 403 . 1 1 43 43 PRO HD2 H 1 3.767 0.001 . 2 . . . . 43 P HD2 . 16038 1 404 . 1 1 43 43 PRO HD3 H 1 3.548 0.001 . 2 . . . . 43 P HD3 . 16038 1 405 . 1 1 43 43 PRO HG2 H 1 1.971 0.001 . 2 . . . . 43 P HG2 . 16038 1 406 . 1 1 43 43 PRO HG3 H 1 1.971 0.001 . 2 . . . . 43 P HG3 . 16038 1 407 . 1 1 43 43 PRO C C 13 177.050 0.001 . 1 . . . . 43 P C . 16038 1 408 . 1 1 43 43 PRO CA C 13 62.260 0.001 . 1 . . . . 43 P CA . 16038 1 409 . 1 1 43 43 PRO CB C 13 32.380 0.001 . 1 . . . . 43 P CB . 16038 1 410 . 1 1 44 44 ALA H H 1 8.552 0.001 . 1 . . . . 44 A H . 16038 1 411 . 1 1 44 44 ALA HA H 1 4.223 0.001 . 1 . . . . 44 A HA . 16038 1 412 . 1 1 44 44 ALA HB1 H 1 1.249 0.001 . . . . . . 44 A QB . 16038 1 413 . 1 1 44 44 ALA HB2 H 1 1.249 0.001 . . . . . . 44 A QB . 16038 1 414 . 1 1 44 44 ALA HB3 H 1 1.249 0.001 . . . . . . 44 A QB . 16038 1 415 . 1 1 44 44 ALA C C 13 179.500 0.001 . 1 . . . . 44 A C . 16038 1 416 . 1 1 44 44 ALA CA C 13 53.250 0.001 . 1 . . . . 44 A CA . 16038 1 417 . 1 1 44 44 ALA CB C 13 18.190 0.001 . 1 . . . . 44 A CB . 16038 1 418 . 1 1 44 44 ALA N N 15 125.070 0.001 . 1 . . . . 44 A N . 16038 1 419 . 1 1 45 45 GLY H H 1 8.897 0.001 . 1 . . . . 45 G H . 16038 1 420 . 1 1 45 45 GLY HA2 H 1 4.214 0.001 . 2 . . . . 45 G HA2 . 16038 1 421 . 1 1 45 45 GLY HA3 H 1 3.833 0.001 . 2 . . . . 45 G HA3 . 16038 1 422 . 1 1 45 45 GLY C C 13 173.720 0.001 . 1 . . . . 45 G C . 16038 1 423 . 1 1 45 45 GLY CA C 13 45.790 0.001 . 1 . . . . 45 G CA . 16038 1 424 . 1 1 45 45 GLY N N 15 110.600 0.001 . 1 . . . . 45 G N . 16038 1 425 . 1 1 46 46 SER H H 1 7.690 0.001 . 1 . . . . 46 S H . 16038 1 426 . 1 1 46 46 SER HA H 1 5.338 0.001 . 1 . . . . 46 S HA . 16038 1 427 . 1 1 46 46 SER HB2 H 1 3.880 0.001 . 2 . . . . 46 S HB2 . 16038 1 428 . 1 1 46 46 SER HB3 H 1 3.780 0.001 . 2 . . . . 46 S HB3 . 16038 1 429 . 1 1 46 46 SER C C 13 172.990 0.001 . 1 . . . . 46 S C . 16038 1 430 . 1 1 46 46 SER CA C 13 57.810 0.001 . 1 . . . . 46 S CA . 16038 1 431 . 1 1 46 46 SER CB C 13 66.960 0.001 . 1 . . . . 46 S CB . 16038 1 432 . 1 1 46 46 SER N N 15 114.180 0.001 . 1 . . . . 46 S N . 16038 1 433 . 1 1 47 47 ALA H H 1 8.435 0.001 . 1 . . . . 47 A H . 16038 1 434 . 1 1 47 47 ALA HA H 1 4.338 0.001 . 1 . . . . 47 A HA . 16038 1 435 . 1 1 47 47 ALA HB1 H 1 0.559 0.001 . . . . . . 47 A QB . 16038 1 436 . 1 1 47 47 ALA HB2 H 1 0.559 0.001 . . . . . . 47 A QB . 16038 1 437 . 1 1 47 47 ALA HB3 H 1 0.559 0.001 . . . . . . 47 A QB . 16038 1 438 . 1 1 47 47 ALA C C 13 173.840 0.001 . 1 . . . . 47 A C . 16038 1 439 . 1 1 47 47 ALA CA C 13 51.690 0.001 . 1 . . . . 47 A CA . 16038 1 440 . 1 1 47 47 ALA CB C 13 24.570 0.001 . 1 . . . . 47 A CB . 16038 1 441 . 1 1 47 47 ALA N N 15 120.900 0.001 . 1 . . . . 47 A N . 16038 1 442 . 1 1 48 48 LEU H H 1 8.673 0.001 . 1 . . . . 48 L H . 16038 1 443 . 1 1 48 48 LEU HA H 1 5.021 0.001 . 1 . . . . 48 L HA . 16038 1 444 . 1 1 48 48 LEU HB2 H 1 1.459 0.001 . 2 . . . . 48 L HB2 . 16038 1 445 . 1 1 48 48 LEU HB3 H 1 1.285 0.001 . 2 . . . . 48 L HB3 . 16038 1 446 . 1 1 48 48 LEU HD11 H 1 0.668 0.001 . . . . . . 48 L QD1 . 16038 1 447 . 1 1 48 48 LEU HD12 H 1 0.668 0.001 . . . . . . 48 L QD1 . 16038 1 448 . 1 1 48 48 LEU HD13 H 1 0.668 0.001 . . . . . . 48 L QD1 . 16038 1 449 . 1 1 48 48 LEU HD21 H 1 0.559 0.001 . . . . . . 48 L QD2 . 16038 1 450 . 1 1 48 48 LEU HD22 H 1 0.559 0.001 . . . . . . 48 L QD2 . 16038 1 451 . 1 1 48 48 LEU HD23 H 1 0.559 0.001 . . . . . . 48 L QD2 . 16038 1 452 . 1 1 48 48 LEU HG H 1 1.152 0.001 . 1 . . . . 48 L HG . 16038 1 453 . 1 1 48 48 LEU C C 13 174.680 0.001 . 1 . . . . 48 L C . 16038 1 454 . 1 1 48 48 LEU CA C 13 53.350 0.001 . 1 . . . . 48 L CA . 16038 1 455 . 1 1 48 48 LEU CB C 13 48.150 0.001 . 1 . . . . 48 L CB . 16038 1 456 . 1 1 48 48 LEU N N 15 120.170 0.001 . 1 . . . . 48 L N . 16038 1 457 . 1 1 49 49 LEU H H 1 8.686 0.001 . 1 . . . . 49 L H . 16038 1 458 . 1 1 49 49 LEU HA H 1 5.403 0.001 . 1 . . . . 49 L HA . 16038 1 459 . 1 1 49 49 LEU HB2 H 1 1.680 0.001 . 2 . . . . 49 L HB2 . 16038 1 460 . 1 1 49 49 LEU HB3 H 1 1.310 0.001 . 2 . . . . 49 L HB3 . 16038 1 461 . 1 1 49 49 LEU HD11 H 1 0.660 0.001 . . . . . . 49 L QD1 . 16038 1 462 . 1 1 49 49 LEU HD12 H 1 0.660 0.001 . . . . . . 49 L QD1 . 16038 1 463 . 1 1 49 49 LEU HD13 H 1 0.660 0.001 . . . . . . 49 L QD1 . 16038 1 464 . 1 1 49 49 LEU HD21 H 1 -0.130 0.001 . . . . . . 49 L QD2 . 16038 1 465 . 1 1 49 49 LEU HD22 H 1 -0.130 0.001 . . . . . . 49 L QD2 . 16038 1 466 . 1 1 49 49 LEU HD23 H 1 -0.130 0.001 . . . . . . 49 L QD2 . 16038 1 467 . 1 1 49 49 LEU HG H 1 1.151 0.001 . 1 . . . . 49 L HG . 16038 1 468 . 1 1 49 49 LEU C C 13 176.170 0.001 . 1 . . . . 49 L C . 16038 1 469 . 1 1 49 49 LEU CA C 13 52.810 0.001 . 1 . . . . 49 L CA . 16038 1 470 . 1 1 49 49 LEU CB C 13 46.310 0.001 . 1 . . . . 49 L CB . 16038 1 471 . 1 1 49 49 LEU N N 15 120.170 0.001 . 1 . . . . 49 L N . 16038 1 472 . 1 1 50 50 VAL H H 1 8.874 0.001 . 1 . . . . 50 V H . 16038 1 473 . 1 1 50 50 VAL HA H 1 4.971 0.001 . 1 . . . . 50 V HA . 16038 1 474 . 1 1 50 50 VAL HB H 1 1.813 0.001 . 1 . . . . 50 V HB . 16038 1 475 . 1 1 50 50 VAL HG11 H 1 0.775 0.001 . . . . . . 50 V QG1 . 16038 1 476 . 1 1 50 50 VAL HG12 H 1 0.775 0.001 . . . . . . 50 V QG1 . 16038 1 477 . 1 1 50 50 VAL HG13 H 1 0.775 0.001 . . . . . . 50 V QG1 . 16038 1 478 . 1 1 50 50 VAL HG21 H 1 0.775 0.001 . . . . . . 50 V QG2 . 16038 1 479 . 1 1 50 50 VAL HG22 H 1 0.775 0.001 . . . . . . 50 V QG2 . 16038 1 480 . 1 1 50 50 VAL HG23 H 1 0.775 0.001 . . . . . . 50 V QG2 . 16038 1 481 . 1 1 50 50 VAL C C 13 176.740 0.001 . 1 . . . . 50 V C . 16038 1 482 . 1 1 50 50 VAL CA C 13 59.940 0.001 . 1 . . . . 50 V CA . 16038 1 483 . 1 1 50 50 VAL CB C 13 34.970 0.001 . 1 . . . . 50 V CB . 16038 1 484 . 1 1 50 50 VAL N N 15 120.580 0.001 . 1 . . . . 50 V N . 16038 1 485 . 1 1 51 51 VAL H H 1 8.984 0.001 . 1 . . . . 51 V H . 16038 1 486 . 1 1 51 51 VAL HA H 1 4.155 0.001 . 1 . . . . 51 V HA . 16038 1 487 . 1 1 51 51 VAL HB H 1 2.200 0.001 . 1 . . . . 51 V HB . 16038 1 488 . 1 1 51 51 VAL HG11 H 1 1.060 0.001 . . . . . . 51 V QG1 . 16038 1 489 . 1 1 51 51 VAL HG12 H 1 1.060 0.001 . . . . . . 51 V QG1 . 16038 1 490 . 1 1 51 51 VAL HG13 H 1 1.060 0.001 . . . . . . 51 V QG1 . 16038 1 491 . 1 1 51 51 VAL HG21 H 1 1.000 0.001 . . . . . . 51 V QG2 . 16038 1 492 . 1 1 51 51 VAL HG22 H 1 1.000 0.001 . . . . . . 51 V QG2 . 16038 1 493 . 1 1 51 51 VAL HG23 H 1 1.000 0.001 . . . . . . 51 V QG2 . 16038 1 494 . 1 1 51 51 VAL C C 13 176.050 0.001 . 1 . . . . 51 V C . 16038 1 495 . 1 1 51 51 VAL CA C 13 64.280 0.001 . 1 . . . . 51 V CA . 16038 1 496 . 1 1 51 51 VAL CB C 13 31.280 0.001 . 1 . . . . 51 V CB . 16038 1 497 . 1 1 51 51 VAL N N 15 125.710 0.001 . 1 . . . . 51 V N . 16038 1 498 . 1 1 52 52 LYS H H 1 9.444 0.001 . 1 . . . . 52 K H . 16038 1 499 . 1 1 52 52 LYS HA H 1 4.450 0.001 . 1 . . . . 52 K HA . 16038 1 500 . 1 1 52 52 LYS HB2 H 1 1.701 0.001 . 2 . . . . 52 K HB2 . 16038 1 501 . 1 1 52 52 LYS HB3 H 1 1.520 0.001 . 2 . . . . 52 K HB3 . 16038 1 502 . 1 1 52 52 LYS HD2 H 1 1.345 0.001 . 2 . . . . 52 K QD . 16038 1 503 . 1 1 52 52 LYS HD3 H 1 1.345 0.001 . 2 . . . . 52 K QD . 16038 1 504 . 1 1 52 52 LYS HG2 H 1 0.982 0.001 . 2 . . . . 52 K HG2 . 16038 1 505 . 1 1 52 52 LYS HG3 H 1 0.982 0.001 . 2 . . . . 52 K HG3 . 16038 1 506 . 1 1 52 52 LYS C C 13 176.150 0.001 . 1 . . . . 52 K C . 16038 1 507 . 1 1 52 52 LYS CA C 13 57.050 0.001 . 1 . . . . 52 K CA . 16038 1 508 . 1 1 52 52 LYS CB C 13 34.470 0.001 . 1 . . . . 52 K CB . 16038 1 509 . 1 1 52 52 LYS N N 15 132.750 0.001 . 1 . . . . 52 K N . 16038 1 510 . 1 1 53 53 ARG H H 1 8.051 0.001 . 1 . . . . 53 R H . 16038 1 511 . 1 1 53 53 ARG HA H 1 4.685 0.001 . 1 . . . . 53 R HA . 16038 1 512 . 1 1 53 53 ARG HB2 H 1 1.772 0.001 . 2 . . . . 53 R HB2 . 16038 1 513 . 1 1 53 53 ARG HB3 H 1 1.696 0.001 . 2 . . . . 53 R HB3 . 16038 1 514 . 1 1 53 53 ARG HG2 H 1 1.527 0.001 . 2 . . . . 53 R HG2 . 16038 1 515 . 1 1 53 53 ARG HG3 H 1 1.350 0.001 . 2 . . . . 53 R HG3 . 16038 1 516 . 1 1 53 53 ARG C C 13 173.470 0.001 . 1 . . . . 53 R C . 16038 1 517 . 1 1 53 53 ARG CA C 13 55.090 0.001 . 1 . . . . 53 R CA . 16038 1 518 . 1 1 53 53 ARG CB C 13 34.300 0.001 . 1 . . . . 53 R CB . 16038 1 519 . 1 1 53 53 ARG N N 15 117.320 0.001 . 1 . . . . 53 R N . 16038 1 520 . 1 1 54 54 GLY H H 1 8.377 0.001 . 1 . . . . 54 G H . 16038 1 521 . 1 1 54 54 GLY HA2 H 1 4.215 0.001 . 2 . . . . 54 G HA2 . 16038 1 522 . 1 1 54 54 GLY HA3 H 1 3.503 0.001 . 2 . . . . 54 G HA3 . 16038 1 523 . 1 1 54 54 GLY C C 13 171.870 0.001 . 1 . . . . 54 G C . 16038 1 524 . 1 1 54 54 GLY CA C 13 43.770 0.001 . 1 . . . . 54 G CA . 16038 1 525 . 1 1 54 54 GLY N N 15 110.960 0.001 . 1 . . . . 54 G N . 16038 1 526 . 1 1 55 55 PRO HA H 1 4.255 0.001 . 1 . . . . 55 P HA . 16038 1 527 . 1 1 55 55 PRO HB2 H 1 2.270 0.001 . 2 . . . . 55 P HB2 . 16038 1 528 . 1 1 55 55 PRO HB3 H 1 1.750 0.001 . 2 . . . . 55 P HB3 . 16038 1 529 . 1 1 55 55 PRO HG2 H 1 1.914 0.001 . 2 . . . . 55 P HG2 . 16038 1 530 . 1 1 55 55 PRO HG3 H 1 1.914 0.001 . 2 . . . . 55 P HG3 . 16038 1 531 . 1 1 55 55 PRO C C 13 175.940 0.001 . 1 . . . . 55 P C . 16038 1 532 . 1 1 55 55 PRO CA C 13 64.390 0.001 . 1 . . . . 55 P CA . 16038 1 533 . 1 1 55 55 PRO CB C 13 31.360 0.001 . 1 . . . . 55 P CB . 16038 1 534 . 1 1 56 56 ASN H H 1 8.202 0.001 . 1 . . . . 56 N H . 16038 1 535 . 1 1 56 56 ASN HA H 1 4.685 0.001 . 1 . . . . 56 N HA . 16038 1 536 . 1 1 56 56 ASN HB2 H 1 3.065 0.001 . 2 . . . . 56 N HB2 . 16038 1 537 . 1 1 56 56 ASN HB3 H 1 2.898 0.001 . 2 . . . . 56 N HB3 . 16038 1 538 . 1 1 56 56 ASN HD21 H 1 7.764 0.001 . 2 . . . . 56 N HD21 . 16038 1 539 . 1 1 56 56 ASN HD22 H 1 5.878 0.001 . 2 . . . . 56 N HD22 . 16038 1 540 . 1 1 56 56 ASN C C 13 174.410 0.001 . 1 . . . . 56 N C . 16038 1 541 . 1 1 56 56 ASN CA C 13 52.120 0.001 . 1 . . . . 56 N CA . 16038 1 542 . 1 1 56 56 ASN CB C 13 37.070 0.001 . 1 . . . . 56 N CB . 16038 1 543 . 1 1 56 56 ASN N N 15 114.760 0.001 . 1 . . . . 56 N N . 16038 1 544 . 1 1 56 56 ASN ND2 N 15 106.600 0.001 . 1 . . . . 56 N ND2 . 16038 1 545 . 1 1 57 57 ALA H H 1 7.283 0.001 . 1 . . . . 57 A H . 16038 1 546 . 1 1 57 57 ALA HA H 1 3.618 0.001 . 1 . . . . 57 A HA . 16038 1 547 . 1 1 57 57 ALA HB1 H 1 1.327 0.001 . . . . . . 57 A QB . 16038 1 548 . 1 1 57 57 ALA HB2 H 1 1.327 0.001 . . . . . . 57 A QB . 16038 1 549 . 1 1 57 57 ALA HB3 H 1 1.327 0.001 . . . . . . 57 A QB . 16038 1 550 . 1 1 57 57 ALA C C 13 178.090 0.001 . 1 . . . . 57 A C . 16038 1 551 . 1 1 57 57 ALA CA C 13 54.480 0.001 . 1 . . . . 57 A CA . 16038 1 552 . 1 1 57 57 ALA CB C 13 17.760 0.001 . 1 . . . . 57 A CB . 16038 1 553 . 1 1 57 57 ALA N N 15 120.380 0.001 . 1 . . . . 57 A N . 16038 1 554 . 1 1 58 58 GLY H H 1 9.052 0.001 . 1 . . . . 58 G H . 16038 1 555 . 1 1 58 58 GLY HA2 H 1 4.449 0.001 . 2 . . . . 58 G HA2 . 16038 1 556 . 1 1 58 58 GLY HA3 H 1 3.415 0.001 . 2 . . . . 58 G HA3 . 16038 1 557 . 1 1 58 58 GLY C C 13 174.610 0.001 . 1 . . . . 58 G C . 16038 1 558 . 1 1 58 58 GLY CA C 13 44.530 0.001 . 1 . . . . 58 G CA . 16038 1 559 . 1 1 58 58 GLY N N 15 112.180 0.001 . 1 . . . . 58 G N . 16038 1 560 . 1 1 59 59 ALA H H 1 8.171 0.001 . 1 . . . . 59 A H . 16038 1 561 . 1 1 59 59 ALA HA H 1 4.081 0.001 . 1 . . . . 59 A HA . 16038 1 562 . 1 1 59 59 ALA HB1 H 1 1.279 0.001 . . . . . . 59 A QB . 16038 1 563 . 1 1 59 59 ALA HB2 H 1 1.279 0.001 . . . . . . 59 A QB . 16038 1 564 . 1 1 59 59 ALA HB3 H 1 1.279 0.001 . . . . . . 59 A QB . 16038 1 565 . 1 1 59 59 ALA C C 13 175.220 0.001 . 1 . . . . 59 A C . 16038 1 566 . 1 1 59 59 ALA CA C 13 53.170 0.001 . 1 . . . . 59 A CA . 16038 1 567 . 1 1 59 59 ALA CB C 13 19.360 0.001 . 1 . . . . 59 A CB . 16038 1 568 . 1 1 59 59 ALA N N 15 124.650 0.001 . 1 . . . . 59 A N . 16038 1 569 . 1 1 60 60 ARG H H 1 7.751 0.001 . 1 . . . . 60 R H . 16038 1 570 . 1 1 60 60 ARG HA H 1 5.105 0.001 . 1 . . . . 60 R HA . 16038 1 571 . 1 1 60 60 ARG HB2 H 1 1.662 0.001 . 2 . . . . 60 R HB2 . 16038 1 572 . 1 1 60 60 ARG HB3 H 1 1.537 0.001 . 2 . . . . 60 R HB3 . 16038 1 573 . 1 1 60 60 ARG HG2 H 1 1.454 0.001 . 2 . . . . 60 R HG2 . 16038 1 574 . 1 1 60 60 ARG HG3 H 1 1.454 0.001 . 2 . . . . 60 R HG3 . 16038 1 575 . 1 1 60 60 ARG C C 13 175.320 0.001 . 1 . . . . 60 R C . 16038 1 576 . 1 1 60 60 ARG CA C 13 54.150 0.001 . 1 . . . . 60 R CA . 16038 1 577 . 1 1 60 60 ARG CB C 13 34.130 0.001 . 1 . . . . 60 R CB . 16038 1 578 . 1 1 60 60 ARG N N 15 116.920 0.001 . 1 . . . . 60 R N . 16038 1 579 . 1 1 61 61 PHE H H 1 9.213 0.001 . 1 . . . . 61 F H . 16038 1 580 . 1 1 61 61 PHE HA H 1 4.788 0.001 . 1 . . . . 61 F HA . 16038 1 581 . 1 1 61 61 PHE HB2 H 1 2.969 0.001 . 2 . . . . 61 F HB2 . 16038 1 582 . 1 1 61 61 PHE HB3 H 1 2.562 0.001 . 2 . . . . 61 F HB3 . 16038 1 583 . 1 1 61 61 PHE HD1 H 1 7.070 0.001 . 3 . . . . 61 F QD . 16038 1 584 . 1 1 61 61 PHE HD2 H 1 7.070 0.001 . 3 . . . . 61 F QD . 16038 1 585 . 1 1 61 61 PHE HE1 H 1 7.113 0.001 . 3 . . . . 61 F QE . 16038 1 586 . 1 1 61 61 PHE HE2 H 1 7.113 0.001 . 3 . . . . 61 F QE . 16038 1 587 . 1 1 61 61 PHE C C 13 173.930 0.001 . 1 . . . . 61 F C . 16038 1 588 . 1 1 61 61 PHE CA C 13 56.500 0.001 . 1 . . . . 61 F CA . 16038 1 589 . 1 1 61 61 PHE CB C 13 41.860 0.001 . 1 . . . . 61 F CB . 16038 1 590 . 1 1 61 61 PHE N N 15 121.090 0.001 . 1 . . . . 61 F N . 16038 1 591 . 1 1 62 62 LEU H H 1 8.638 0.001 . 1 . . . . 62 L H . 16038 1 592 . 1 1 62 62 LEU HA H 1 4.566 0.001 . 1 . . . . 62 L HA . 16038 1 593 . 1 1 62 62 LEU HB2 H 1 1.681 0.001 . 2 . . . . 62 L HB2 . 16038 1 594 . 1 1 62 62 LEU HB3 H 1 1.465 0.001 . 2 . . . . 62 L HB3 . 16038 1 595 . 1 1 62 62 LEU HD11 H 1 0.869 0.001 . . . . . . 62 L QD1 . 16038 1 596 . 1 1 62 62 LEU HD12 H 1 0.869 0.001 . . . . . . 62 L QD1 . 16038 1 597 . 1 1 62 62 LEU HD13 H 1 0.869 0.001 . . . . . . 62 L QD1 . 16038 1 598 . 1 1 62 62 LEU HD21 H 1 0.671 0.001 . . . . . . 62 L QD2 . 16038 1 599 . 1 1 62 62 LEU HD22 H 1 0.671 0.001 . . . . . . 62 L QD2 . 16038 1 600 . 1 1 62 62 LEU HD23 H 1 0.671 0.001 . . . . . . 62 L QD2 . 16038 1 601 . 1 1 62 62 LEU HG H 1 1.431 0.001 . 1 . . . . 62 L HG . 16038 1 602 . 1 1 62 62 LEU C C 13 176.570 0.001 . 1 . . . . 62 L C . 16038 1 603 . 1 1 62 62 LEU CA C 13 55.130 0.001 . 1 . . . . 62 L CA . 16038 1 604 . 1 1 62 62 LEU CB C 13 43.620 0.001 . 1 . . . . 62 L CB . 16038 1 605 . 1 1 62 62 LEU N N 15 125.630 0.001 . 1 . . . . 62 L N . 16038 1 606 . 1 1 63 63 LEU H H 1 8.929 0.001 . 1 . . . . 63 L H . 16038 1 607 . 1 1 63 63 LEU HA H 1 4.852 0.001 . 1 . . . . 63 L HA . 16038 1 608 . 1 1 63 63 LEU HB2 H 1 1.455 0.001 . 2 . . . . 63 L HB2 . 16038 1 609 . 1 1 63 63 LEU HB3 H 1 1.440 0.001 . 2 . . . . 63 L HB3 . 16038 1 610 . 1 1 63 63 LEU HD11 H 1 0.891 0.001 . . . . . . 63 L QD1 . 16038 1 611 . 1 1 63 63 LEU HD12 H 1 0.891 0.001 . . . . . . 63 L QD1 . 16038 1 612 . 1 1 63 63 LEU HD13 H 1 0.891 0.001 . . . . . . 63 L QD1 . 16038 1 613 . 1 1 63 63 LEU HD21 H 1 0.683 0.001 . . . . . . 63 L QD2 . 16038 1 614 . 1 1 63 63 LEU HD22 H 1 0.683 0.001 . . . . . . 63 L QD2 . 16038 1 615 . 1 1 63 63 LEU HD23 H 1 0.683 0.001 . . . . . . 63 L QD2 . 16038 1 616 . 1 1 63 63 LEU HG H 1 1.425 0.001 . 1 . . . . 63 L HG . 16038 1 617 . 1 1 63 63 LEU C C 13 175.070 0.001 . 1 . . . . 63 L C . 16038 1 618 . 1 1 63 63 LEU CA C 13 53.170 0.001 . 1 . . . . 63 L CA . 16038 1 619 . 1 1 63 63 LEU CB C 13 42.110 0.001 . 1 . . . . 63 L CB . 16038 1 620 . 1 1 63 63 LEU N N 15 125.980 0.001 . 1 . . . . 63 L N . 16038 1 621 . 1 1 64 64 ASP H H 1 8.601 0.001 . 1 . . . . 64 D H . 16038 1 622 . 1 1 64 64 ASP HA H 1 4.736 0.001 . 1 . . . . 64 D HA . 16038 1 623 . 1 1 64 64 ASP HB2 H 1 2.824 0.001 . 2 . . . . 64 D HB2 . 16038 1 624 . 1 1 64 64 ASP HB3 H 1 2.479 0.001 . 2 . . . . 64 D HB3 . 16038 1 625 . 1 1 64 64 ASP C C 13 175.130 0.001 . 1 . . . . 64 D C . 16038 1 626 . 1 1 64 64 ASP CA C 13 53.640 0.001 . 1 . . . . 64 D CA . 16038 1 627 . 1 1 64 64 ASP CB C 13 41.020 0.001 . 1 . . . . 64 D CB . 16038 1 628 . 1 1 64 64 ASP N N 15 120.910 0.001 . 1 . . . . 64 D N . 16038 1 629 . 1 1 65 65 GLN H H 1 7.497 0.001 . 1 . . . . 65 Q H . 16038 1 630 . 1 1 65 65 GLN HA H 1 4.856 0.001 . 1 . . . . 65 Q HA . 16038 1 631 . 1 1 65 65 GLN HB2 H 1 2.270 0.001 . 2 . . . . 65 Q HB2 . 16038 1 632 . 1 1 65 65 GLN HB3 H 1 1.894 0.001 . 2 . . . . 65 Q HB3 . 16038 1 633 . 1 1 65 65 GLN HE21 H 1 7.651 0.001 . 2 . . . . 65 Q HE21 . 16038 1 634 . 1 1 65 65 GLN HE22 H 1 6.815 0.001 . 2 . . . . 65 Q HE22 . 16038 1 635 . 1 1 65 65 GLN HG2 H 1 2.582 0.001 . 2 . . . . 65 Q HG2 . 16038 1 636 . 1 1 65 65 GLN HG3 H 1 2.371 0.001 . 2 . . . . 65 Q HG3 . 16038 1 637 . 1 1 65 65 GLN C C 13 173.550 0.001 . 1 . . . . 65 Q C . 16038 1 638 . 1 1 65 65 GLN CA C 13 52.780 0.001 . 1 . . . . 65 Q CA . 16038 1 639 . 1 1 65 65 GLN N N 15 117.420 0.001 . 1 . . . . 65 Q N . 16038 1 640 . 1 1 65 65 GLN NE2 N 15 113.980 0.001 . 1 . . . . 65 Q NE2 . 16038 1 641 . 1 1 66 66 PRO HA H 1 4.190 0.001 . 1 . . . . 66 P HA . 16038 1 642 . 1 1 66 66 PRO HB2 H 1 2.479 0.001 . 2 . . . . 66 P HB2 . 16038 1 643 . 1 1 66 66 PRO HB3 H 1 2.032 0.001 . 2 . . . . 66 P HB3 . 16038 1 644 . 1 1 66 66 PRO HD2 H 1 3.837 0.001 . 2 . . . . 66 P HD2 . 16038 1 645 . 1 1 66 66 PRO HD3 H 1 3.837 0.001 . 2 . . . . 66 P HD3 . 16038 1 646 . 1 1 66 66 PRO HG2 H 1 2.246 0.001 . 2 . . . . 66 P HG2 . 16038 1 647 . 1 1 66 66 PRO HG3 H 1 2.246 0.001 . 2 . . . . 66 P HG3 . 16038 1 648 . 1 1 66 66 PRO C C 13 177.400 0.001 . 1 . . . . 66 P C . 16038 1 649 . 1 1 66 66 PRO CA C 13 66.810 0.001 . 1 . . . . 66 P CA . 16038 1 650 . 1 1 66 66 PRO CB C 13 32.370 0.001 . 1 . . . . 66 P CB . 16038 1 651 . 1 1 67 67 THR H H 1 7.647 0.001 . 1 . . . . 67 T H . 16038 1 652 . 1 1 67 67 THR HA H 1 4.811 0.001 . 1 . . . . 67 T HA . 16038 1 653 . 1 1 67 67 THR HB H 1 3.876 0.001 . 1 . . . . 67 T HB . 16038 1 654 . 1 1 67 67 THR HG21 H 1 1.013 0.001 . . . . . . 67 T QG2 . 16038 1 655 . 1 1 67 67 THR HG22 H 1 1.013 0.001 . . . . . . 67 T QG2 . 16038 1 656 . 1 1 67 67 THR HG23 H 1 1.013 0.001 . . . . . . 67 T QG2 . 16038 1 657 . 1 1 67 67 THR C C 13 173.280 0.001 . 1 . . . . 67 T C . 16038 1 658 . 1 1 67 67 THR CA C 13 62.830 0.001 . 1 . . . . 67 T CA . 16038 1 659 . 1 1 67 67 THR CB C 13 71.740 0.001 . 1 . . . . 67 T CB . 16038 1 660 . 1 1 67 67 THR N N 15 109.270 0.001 . 1 . . . . 67 T N . 16038 1 661 . 1 1 68 68 THR H H 1 8.919 0.001 . 1 . . . . 68 T H . 16038 1 662 . 1 1 68 68 THR HA H 1 4.968 0.001 . 1 . . . . 68 T HA . 16038 1 663 . 1 1 68 68 THR HB H 1 4.177 0.001 . 1 . . . . 68 T HB . 16038 1 664 . 1 1 68 68 THR HG21 H 1 1.283 0.001 . . . . . . 68 T QG2 . 16038 1 665 . 1 1 68 68 THR HG22 H 1 1.283 0.001 . . . . . . 68 T QG2 . 16038 1 666 . 1 1 68 68 THR HG23 H 1 1.283 0.001 . . . . . . 68 T QG2 . 16038 1 667 . 1 1 68 68 THR C C 13 175.090 0.001 . 1 . . . . 68 T C . 16038 1 668 . 1 1 68 68 THR CA C 13 61.820 0.001 . 1 . . . . 68 T CA . 16038 1 669 . 1 1 68 68 THR CB C 13 70.730 0.001 . 1 . . . . 68 T CB . 16038 1 670 . 1 1 68 68 THR N N 15 125.610 0.001 . 1 . . . . 68 T N . 16038 1 671 . 1 1 69 69 THR H H 1 10.398 0.001 . 1 . . . . 69 T H . 16038 1 672 . 1 1 69 69 THR HA H 1 4.491 0.001 . 1 . . . . 69 T HA . 16038 1 673 . 1 1 69 69 THR HB H 1 4.723 0.001 . 1 . . . . 69 T HB . 16038 1 674 . 1 1 69 69 THR HG21 H 1 1.281 0.001 . . . . . . 69 T QG2 . 16038 1 675 . 1 1 69 69 THR HG22 H 1 1.281 0.001 . . . . . . 69 T QG2 . 16038 1 676 . 1 1 69 69 THR HG23 H 1 1.281 0.001 . . . . . . 69 T QG2 . 16038 1 677 . 1 1 69 69 THR C C 13 173.140 0.001 . 1 . . . . 69 T C . 16038 1 678 . 1 1 69 69 THR CA C 13 61.790 0.001 . 1 . . . . 69 T CA . 16038 1 679 . 1 1 69 69 THR CB C 13 70.820 0.001 . 1 . . . . 69 T CB . 16038 1 680 . 1 1 69 69 THR N N 15 121.520 0.001 . 1 . . . . 69 T N . 16038 1 681 . 1 1 70 70 ALA H H 1 8.722 0.001 . 1 . . . . 70 A H . 16038 1 682 . 1 1 70 70 ALA HA H 1 5.696 0.001 . 1 . . . . 70 A HA . 16038 1 683 . 1 1 70 70 ALA HB1 H 1 1.194 0.001 . . . . . . 70 A QB . 16038 1 684 . 1 1 70 70 ALA HB2 H 1 1.194 0.001 . . . . . . 70 A QB . 16038 1 685 . 1 1 70 70 ALA HB3 H 1 1.194 0.001 . . . . . . 70 A QB . 16038 1 686 . 1 1 70 70 ALA C C 13 175.840 0.001 . 1 . . . . 70 A C . 16038 1 687 . 1 1 70 70 ALA CA C 13 50.030 0.001 . 1 . . . . 70 A CA . 16038 1 688 . 1 1 70 70 ALA CB C 13 22.300 0.001 . 1 . . . . 70 A CB . 16038 1 689 . 1 1 70 70 ALA N N 15 122.410 0.001 . 1 . . . . 70 A N . 16038 1 690 . 1 1 71 71 GLY H H 1 8.430 0.001 . 1 . . . . 71 G H . 16038 1 691 . 1 1 71 71 GLY HA2 H 1 4.474 0.001 . 2 . . . . 71 G HA2 . 16038 1 692 . 1 1 71 71 GLY HA3 H 1 3.903 0.001 . 2 . . . . 71 G HA3 . 16038 1 693 . 1 1 71 71 GLY C C 13 170.540 0.001 . 1 . . . . 71 G C . 16038 1 694 . 1 1 71 71 GLY CA C 13 46.300 0.001 . 1 . . . . 71 G CA . 16038 1 695 . 1 1 71 71 GLY N N 15 108.960 0.001 . 1 . . . . 71 G N . 16038 1 696 . 1 1 72 72 ARG H H 1 8.341 0.001 . 1 . . . . 72 R H . 16038 1 697 . 1 1 72 72 ARG HA H 1 4.481 0.001 . 1 . . . . 72 R HA . 16038 1 698 . 1 1 72 72 ARG HB2 H 1 1.752 0.001 . 2 . . . . 72 R HB2 . 16038 1 699 . 1 1 72 72 ARG HB3 H 1 1.486 0.001 . 2 . . . . 72 R HB3 . 16038 1 700 . 1 1 72 72 ARG HG2 H 1 1.165 0.001 . 2 . . . . 72 R HG2 . 16038 1 701 . 1 1 72 72 ARG HG3 H 1 1.165 0.001 . 2 . . . . 72 R HG3 . 16038 1 702 . 1 1 72 72 ARG C C 13 175.720 0.001 . 1 . . . . 72 R C . 16038 1 703 . 1 1 72 72 ARG CA C 13 54.800 0.001 . 1 . . . . 72 R CA . 16038 1 704 . 1 1 72 72 ARG CB C 13 32.540 0.001 . 1 . . . . 72 R CB . 16038 1 705 . 1 1 72 72 ARG N N 15 120.930 0.001 . 1 . . . . 72 R N . 16038 1 706 . 1 1 73 73 HIS H H 1 9.295 0.001 . 1 . . . . 73 H H . 16038 1 707 . 1 1 73 73 HIS HA H 1 4.403 0.001 . 1 . . . . 73 H HA . 16038 1 708 . 1 1 73 73 HIS HB2 H 1 2.909 0.001 . 2 . . . . 73 H HB2 . 16038 1 709 . 1 1 73 73 HIS HB3 H 1 2.768 0.001 . 2 . . . . 73 H HB3 . 16038 1 710 . 1 1 73 73 HIS HD2 H 1 7.027 0.001 . 1 . . . . 73 H HD2 . 16038 1 711 . 1 1 73 73 HIS HE1 H 1 7.936 0.001 . 1 . . . . 73 H HE1 . 16038 1 712 . 1 1 73 73 HIS C C 13 176.860 0.001 . 1 . . . . 73 H C . 16038 1 713 . 1 1 73 73 HIS CA C 13 57.050 0.001 . 1 . . . . 73 H CA . 16038 1 714 . 1 1 73 73 HIS N N 15 125.290 0.001 . 1 . . . . 73 H N . 16038 1 715 . 1 1 74 74 PRO HA H 1 4.373 0.001 . 1 . . . . 74 P HA . 16038 1 716 . 1 1 74 74 PRO HB2 H 1 2.450 0.001 . 2 . . . . 74 P HB2 . 16038 1 717 . 1 1 74 74 PRO HB3 H 1 1.771 0.001 . 2 . . . . 74 P HB3 . 16038 1 718 . 1 1 74 74 PRO HD2 H 1 3.532 0.001 . 2 . . . . 74 P HD2 . 16038 1 719 . 1 1 74 74 PRO HD3 H 1 3.213 0.001 . 2 . . . . 74 P HD3 . 16038 1 720 . 1 1 74 74 PRO HG2 H 1 2.000 0.001 . 2 . . . . 74 P HG2 . 16038 1 721 . 1 1 74 74 PRO HG3 H 1 2.000 0.001 . 2 . . . . 74 P HG3 . 16038 1 722 . 1 1 74 74 PRO C C 13 177.590 0.001 . 1 . . . . 74 P C . 16038 1 723 . 1 1 74 74 PRO CA C 13 64.930 0.001 . 1 . . . . 74 P CA . 16038 1 724 . 1 1 74 74 PRO CB C 13 32.030 0.001 . 1 . . . . 74 P CB . 16038 1 725 . 1 1 75 75 GLU H H 1 10.575 0.001 . 1 . . . . 75 E H . 16038 1 726 . 1 1 75 75 GLU HA H 1 4.352 0.001 . 1 . . . . 75 E HA . 16038 1 727 . 1 1 75 75 GLU HB2 H 1 1.929 0.001 . 2 . . . . 75 E HB2 . 16038 1 728 . 1 1 75 75 GLU HB3 H 1 1.721 0.001 . 2 . . . . 75 E HB3 . 16038 1 729 . 1 1 75 75 GLU HG2 H 1 2.275 0.001 . 2 . . . . 75 E HG2 . 16038 1 730 . 1 1 75 75 GLU HG3 H 1 2.275 0.001 . 2 . . . . 75 E HG3 . 16038 1 731 . 1 1 75 75 GLU C C 13 177.320 0.001 . 1 . . . . 75 E C . 16038 1 732 . 1 1 75 75 GLU CA C 13 56.070 0.001 . 1 . . . . 75 E CA . 16038 1 733 . 1 1 75 75 GLU CB C 13 29.010 0.001 . 1 . . . . 75 E CB . 16038 1 734 . 1 1 75 75 GLU N N 15 119.840 0.001 . 1 . . . . 75 E N . 16038 1 735 . 1 1 76 76 SER H H 1 8.236 0.001 . 1 . . . . 76 S H . 16038 1 736 . 1 1 76 76 SER HA H 1 4.100 0.001 . 1 . . . . 76 S HA . 16038 1 737 . 1 1 76 76 SER HB2 H 1 3.550 0.001 . 2 . . . . 76 S HB2 . 16038 1 738 . 1 1 76 76 SER HB3 H 1 3.550 0.001 . 2 . . . . 76 S HB3 . 16038 1 739 . 1 1 76 76 SER C C 13 173.120 0.001 . 1 . . . . 76 S C . 16038 1 740 . 1 1 76 76 SER CA C 13 60.160 0.001 . 1 . . . . 76 S CA . 16038 1 741 . 1 1 76 76 SER CB C 13 65.530 0.001 . 1 . . . . 76 S CB . 16038 1 742 . 1 1 76 76 SER N N 15 118.860 0.001 . 1 . . . . 76 S N . 16038 1 743 . 1 1 77 77 ASP H H 1 8.541 0.001 . 1 . . . . 77 D H . 16038 1 744 . 1 1 77 77 ASP HA H 1 4.344 0.001 . 1 . . . . 77 D HA . 16038 1 745 . 1 1 77 77 ASP HB2 H 1 3.335 0.001 . 2 . . . . 77 D HB2 . 16038 1 746 . 1 1 77 77 ASP HB3 H 1 2.786 0.001 . 2 . . . . 77 D HB3 . 16038 1 747 . 1 1 77 77 ASP C C 13 177.590 0.001 . 1 . . . . 77 D C . 16038 1 748 . 1 1 77 77 ASP CA C 13 58.380 0.001 . 1 . . . . 77 D CA . 16038 1 749 . 1 1 77 77 ASP CB C 13 42.110 0.001 . 1 . . . . 77 D CB . 16038 1 750 . 1 1 77 77 ASP N N 15 126.720 0.001 . 1 . . . . 77 D N . 16038 1 751 . 1 1 78 78 ILE H H 1 8.571 0.001 . 1 . . . . 78 I H . 16038 1 752 . 1 1 78 78 ILE HA H 1 3.563 0.001 . 1 . . . . 78 I HA . 16038 1 753 . 1 1 78 78 ILE HB H 1 1.510 0.001 . 1 . . . . 78 I HB . 16038 1 754 . 1 1 78 78 ILE HD11 H 1 -0.510 0.001 . . . . . . 78 I QD1 . 16038 1 755 . 1 1 78 78 ILE HD12 H 1 -0.510 0.001 . . . . . . 78 I QD1 . 16038 1 756 . 1 1 78 78 ILE HD13 H 1 -0.510 0.001 . . . . . . 78 I QD1 . 16038 1 757 . 1 1 78 78 ILE HG12 H 1 1.158 0.001 . 2 . . . . 78 I HG12 . 16038 1 758 . 1 1 78 78 ILE HG13 H 1 1.158 0.001 . 2 . . . . 78 I HG13 . 16038 1 759 . 1 1 78 78 ILE HG21 H 1 0.330 0.001 . . . . . . 78 I QG2 . 16038 1 760 . 1 1 78 78 ILE HG22 H 1 0.330 0.001 . . . . . . 78 I QG2 . 16038 1 761 . 1 1 78 78 ILE HG23 H 1 0.330 0.001 . . . . . . 78 I QG2 . 16038 1 762 . 1 1 78 78 ILE C C 13 172.930 0.001 . 1 . . . . 78 I C . 16038 1 763 . 1 1 78 78 ILE CA C 13 60.880 0.001 . 1 . . . . 78 I CA . 16038 1 764 . 1 1 78 78 ILE CB C 13 37.410 0.001 . 1 . . . . 78 I CB . 16038 1 765 . 1 1 78 78 ILE N N 15 120.210 0.001 . 1 . . . . 78 I N . 16038 1 766 . 1 1 79 79 PHE H H 1 8.018 0.001 . 1 . . . . 79 F H . 16038 1 767 . 1 1 79 79 PHE HA H 1 5.018 0.001 . 1 . . . . 79 F HA . 16038 1 768 . 1 1 79 79 PHE HB2 H 1 2.993 0.001 . 2 . . . . 79 F HB2 . 16038 1 769 . 1 1 79 79 PHE HB3 H 1 2.953 0.001 . 2 . . . . 79 F HB3 . 16038 1 770 . 1 1 79 79 PHE HD1 H 1 7.195 0.001 . 3 . . . . 79 F QD . 16038 1 771 . 1 1 79 79 PHE HD2 H 1 7.195 0.001 . 3 . . . . 79 F QD . 16038 1 772 . 1 1 79 79 PHE HE1 H 1 7.380 0.001 . 3 . . . . 79 F QE . 16038 1 773 . 1 1 79 79 PHE HE2 H 1 7.380 0.001 . 3 . . . . 79 F QE . 16038 1 774 . 1 1 79 79 PHE HZ H 1 7.170 0.001 . 1 . . . . 79 F HZ . 16038 1 775 . 1 1 79 79 PHE C C 13 174.130 0.001 . 1 . . . . 79 F C . 16038 1 776 . 1 1 79 79 PHE CA C 13 55.780 0.001 . 1 . . . . 79 F CA . 16038 1 777 . 1 1 79 79 PHE CB C 13 39.170 0.001 . 1 . . . . 79 F CB . 16038 1 778 . 1 1 79 79 PHE N N 15 127.300 0.001 . 1 . . . . 79 F N . 16038 1 779 . 1 1 80 80 LEU H H 1 7.695 0.001 . 1 . . . . 80 L H . 16038 1 780 . 1 1 80 80 LEU HA H 1 3.619 0.001 . 1 . . . . 80 L HA . 16038 1 781 . 1 1 80 80 LEU HB2 H 1 1.188 0.001 . 2 . . . . 80 L HB2 . 16038 1 782 . 1 1 80 80 LEU HB3 H 1 0.152 0.001 . 2 . . . . 80 L HB3 . 16038 1 783 . 1 1 80 80 LEU HD11 H 1 0.275 0.001 . . . . . . 80 L QD1 . 16038 1 784 . 1 1 80 80 LEU HD12 H 1 0.275 0.001 . . . . . . 80 L QD1 . 16038 1 785 . 1 1 80 80 LEU HD13 H 1 0.275 0.001 . . . . . . 80 L QD1 . 16038 1 786 . 1 1 80 80 LEU HD21 H 1 -0.330 0.001 . . . . . . 80 L QD2 . 16038 1 787 . 1 1 80 80 LEU HD22 H 1 -0.330 0.001 . . . . . . 80 L QD2 . 16038 1 788 . 1 1 80 80 LEU HD23 H 1 -0.330 0.001 . . . . . . 80 L QD2 . 16038 1 789 . 1 1 80 80 LEU HG H 1 1.034 0.001 . 1 . . . . 80 L HG . 16038 1 790 . 1 1 80 80 LEU C C 13 173.720 0.001 . 1 . . . . 80 L C . 16038 1 791 . 1 1 80 80 LEU CA C 13 52.340 0.001 . 1 . . . . 80 L CA . 16038 1 792 . 1 1 80 80 LEU CB C 13 41.770 0.001 . 1 . . . . 80 L CB . 16038 1 793 . 1 1 80 80 LEU N N 15 131.810 0.001 . 1 . . . . 80 L N . 16038 1 794 . 1 1 81 81 ASP H H 1 7.974 0.001 . 1 . . . . 81 D H . 16038 1 795 . 1 1 81 81 ASP HA H 1 4.141 0.001 . 1 . . . . 81 D HA . 16038 1 796 . 1 1 81 81 ASP HB2 H 1 2.653 0.001 . 2 . . . . 81 D HB2 . 16038 1 797 . 1 1 81 81 ASP HB3 H 1 1.624 0.001 . 2 . . . . 81 D HB3 . 16038 1 798 . 1 1 81 81 ASP C C 13 175.130 0.001 . 1 . . . . 81 D C . 16038 1 799 . 1 1 81 81 ASP CA C 13 53.210 0.001 . 1 . . . . 81 D CA . 16038 1 800 . 1 1 81 81 ASP CB C 13 39.930 0.001 . 1 . . . . 81 D CB . 16038 1 801 . 1 1 81 81 ASP N N 15 121.130 0.001 . 1 . . . . 81 D N . 16038 1 802 . 1 1 82 82 ASP H H 1 7.583 0.001 . 1 . . . . 82 D H . 16038 1 803 . 1 1 82 82 ASP HA H 1 4.859 0.001 . 1 . . . . 82 D HA . 16038 1 804 . 1 1 82 82 ASP HB2 H 1 2.640 0.001 . 2 . . . . 82 D HB2 . 16038 1 805 . 1 1 82 82 ASP HB3 H 1 2.419 0.001 . 2 . . . . 82 D HB3 . 16038 1 806 . 1 1 82 82 ASP C C 13 176.760 0.001 . 1 . . . . 82 D C . 16038 1 807 . 1 1 82 82 ASP CA C 13 54.980 0.001 . 1 . . . . 82 D CA . 16038 1 808 . 1 1 82 82 ASP CB C 13 39.170 0.001 . 1 . . . . 82 D CB . 16038 1 809 . 1 1 82 82 ASP N N 15 121.540 0.001 . 1 . . . . 82 D N . 16038 1 810 . 1 1 83 83 VAL H H 1 8.344 0.001 . 1 . . . . 83 V H . 16038 1 811 . 1 1 83 83 VAL HA H 1 4.012 0.001 . 1 . . . . 83 V HA . 16038 1 812 . 1 1 83 83 VAL HB H 1 2.415 0.001 . 1 . . . . 83 V HB . 16038 1 813 . 1 1 83 83 VAL HG11 H 1 1.005 0.001 . . . . . . 83 V QG1 . 16038 1 814 . 1 1 83 83 VAL HG12 H 1 1.005 0.001 . . . . . . 83 V QG1 . 16038 1 815 . 1 1 83 83 VAL HG13 H 1 1.005 0.001 . . . . . . 83 V QG1 . 16038 1 816 . 1 1 83 83 VAL HG21 H 1 0.982 0.001 . . . . . . 83 V QG2 . 16038 1 817 . 1 1 83 83 VAL HG22 H 1 0.982 0.001 . . . . . . 83 V QG2 . 16038 1 818 . 1 1 83 83 VAL HG23 H 1 0.982 0.001 . . . . . . 83 V QG2 . 16038 1 819 . 1 1 83 83 VAL C C 13 174.860 0.001 . 1 . . . . 83 V C . 16038 1 820 . 1 1 83 83 VAL CA C 13 65.330 0.001 . 1 . . . . 83 V CA . 16038 1 821 . 1 1 83 83 VAL CB C 13 31.530 0.001 . 1 . . . . 83 V CB . 16038 1 822 . 1 1 83 83 VAL N N 15 122.260 0.001 . 1 . . . . 83 V N . 16038 1 823 . 1 1 84 84 THR H H 1 8.268 0.001 . 1 . . . . 84 T H . 16038 1 824 . 1 1 84 84 THR HA H 1 4.540 0.001 . 1 . . . . 84 T HA . 16038 1 825 . 1 1 84 84 THR HG21 H 1 1.050 0.001 . . . . . . 84 T QG2 . 16038 1 826 . 1 1 84 84 THR HG22 H 1 1.050 0.001 . . . . . . 84 T QG2 . 16038 1 827 . 1 1 84 84 THR HG23 H 1 1.050 0.001 . . . . . . 84 T QG2 . 16038 1 828 . 1 1 84 84 THR C C 13 175.360 0.001 . 1 . . . . 84 T C . 16038 1 829 . 1 1 84 84 THR CA C 13 63.810 0.001 . 1 . . . . 84 T CA . 16038 1 830 . 1 1 84 84 THR CB C 13 70.900 0.001 . 1 . . . . 84 T CB . 16038 1 831 . 1 1 84 84 THR N N 15 110.620 0.001 . 1 . . . . 84 T N . 16038 1 832 . 1 1 85 85 VAL H H 1 8.579 0.001 . 1 . . . . 85 V H . 16038 1 833 . 1 1 85 85 VAL HA H 1 4.254 0.001 . 1 . . . . 85 V HA . 16038 1 834 . 1 1 85 85 VAL HB H 1 2.605 0.001 . 1 . . . . 85 V HB . 16038 1 835 . 1 1 85 85 VAL HG11 H 1 1.165 0.001 . . . . . . 85 V QG1 . 16038 1 836 . 1 1 85 85 VAL HG12 H 1 1.165 0.001 . . . . . . 85 V QG1 . 16038 1 837 . 1 1 85 85 VAL HG13 H 1 1.165 0.001 . . . . . . 85 V QG1 . 16038 1 838 . 1 1 85 85 VAL HG21 H 1 1.093 0.001 . . . . . . 85 V QG2 . 16038 1 839 . 1 1 85 85 VAL HG22 H 1 1.093 0.001 . . . . . . 85 V QG2 . 16038 1 840 . 1 1 85 85 VAL HG23 H 1 1.093 0.001 . . . . . . 85 V QG2 . 16038 1 841 . 1 1 85 85 VAL C C 13 177.070 0.001 . 1 . . . . 85 V C . 16038 1 842 . 1 1 85 85 VAL CA C 13 61.930 0.001 . 1 . . . . 85 V CA . 16038 1 843 . 1 1 85 85 VAL CB C 13 32.450 0.001 . 1 . . . . 85 V CB . 16038 1 844 . 1 1 85 85 VAL N N 15 126.860 0.001 . 1 . . . . 85 V N . 16038 1 845 . 1 1 86 86 SER H H 1 11.668 0.001 . 1 . . . . 86 S H . 16038 1 846 . 1 1 86 86 SER HA H 1 5.203 0.001 . 1 . . . . 86 S HA . 16038 1 847 . 1 1 86 86 SER HB2 H 1 4.068 0.001 . 2 . . . . 86 S HB2 . 16038 1 848 . 1 1 86 86 SER HB3 H 1 3.497 0.001 . 2 . . . . 86 S HB3 . 16038 1 849 . 1 1 86 86 SER C C 13 175.470 0.001 . 1 . . . . 86 S C . 16038 1 850 . 1 1 86 86 SER CA C 13 61.600 0.001 . 1 . . . . 86 S CA . 16038 1 851 . 1 1 86 86 SER CB C 13 64.270 0.001 . 1 . . . . 86 S CB . 16038 1 852 . 1 1 86 86 SER N N 15 128.670 0.001 . 1 . . . . 86 S N . 16038 1 853 . 1 1 87 87 ARG H H 1 10.946 0.001 . 1 . . . . 87 R H . 16038 1 854 . 1 1 87 87 ARG HA H 1 5.179 0.001 . 1 . . . . 87 R HA . 16038 1 855 . 1 1 87 87 ARG HB2 H 1 2.049 0.001 . 2 . . . . 87 R HB2 . 16038 1 856 . 1 1 87 87 ARG HB3 H 1 2.049 0.001 . 2 . . . . 87 R HB3 . 16038 1 857 . 1 1 87 87 ARG HD2 H 1 3.198 0.001 . 2 . . . . 87 R HD2 . 16038 1 858 . 1 1 87 87 ARG HD3 H 1 3.198 0.001 . 2 . . . . 87 R HD3 . 16038 1 859 . 1 1 87 87 ARG HE H 1 9.301 0.001 . 1 . . . . 87 R HE . 16038 1 860 . 1 1 87 87 ARG HG2 H 1 1.830 0.001 . 2 . . . . 87 R HG2 . 16038 1 861 . 1 1 87 87 ARG HG3 H 1 1.761 0.001 . 2 . . . . 87 R HG3 . 16038 1 862 . 1 1 87 87 ARG C C 13 177.110 0.001 . 1 . . . . 87 R C . 16038 1 863 . 1 1 87 87 ARG CA C 13 60.810 0.001 . 1 . . . . 87 R CA . 16038 1 864 . 1 1 87 87 ARG CB C 13 29.010 0.001 . 1 . . . . 87 R CB . 16038 1 865 . 1 1 87 87 ARG N N 15 126.810 0.001 . 1 . . . . 87 R N . 16038 1 866 . 1 1 87 87 ARG NE N 15 85.820 0.001 . 1 . . . . 87 R NE . 16038 1 867 . 1 1 88 88 ARG H H 1 7.946 0.001 . 1 . . . . 88 R H . 16038 1 868 . 1 1 88 88 ARG HA H 1 4.459 0.001 . 1 . . . . 88 R HA . 16038 1 869 . 1 1 88 88 ARG HB2 H 1 1.741 0.001 . 2 . . . . 88 R HB2 . 16038 1 870 . 1 1 88 88 ARG HB3 H 1 1.741 0.001 . 2 . . . . 88 R HB3 . 16038 1 871 . 1 1 88 88 ARG HD2 H 1 3.229 0.001 . 2 . . . . 88 R HD2 . 16038 1 872 . 1 1 88 88 ARG HD3 H 1 2.898 0.001 . 2 . . . . 88 R HD3 . 16038 1 873 . 1 1 88 88 ARG HE H 1 6.840 0.001 . 1 . . . . 88 R HE . 16038 1 874 . 1 1 88 88 ARG HG2 H 1 1.531 0.001 . 2 . . . . 88 R HG2 . 16038 1 875 . 1 1 88 88 ARG HG3 H 1 1.531 0.001 . 2 . . . . 88 R HG3 . 16038 1 876 . 1 1 88 88 ARG C C 13 172.990 0.001 . 1 . . . . 88 R C . 16038 1 877 . 1 1 88 88 ARG CA C 13 55.060 0.001 . 1 . . . . 88 R CA . 16038 1 878 . 1 1 88 88 ARG CB C 13 29.770 0.001 . 1 . . . . 88 R CB . 16038 1 879 . 1 1 88 88 ARG N N 15 115.670 0.001 . 1 . . . . 88 R N . 16038 1 880 . 1 1 88 88 ARG NE N 15 84.740 0.001 . 1 . . . . 88 R NE . 16038 1 881 . 1 1 89 89 HIS H H 1 7.613 0.001 . 1 . . . . 89 H H . 16038 1 882 . 1 1 89 89 HIS HA H 1 4.437 0.001 . 1 . . . . 89 H HA . 16038 1 883 . 1 1 89 89 HIS HB2 H 1 3.248 0.001 . 2 . . . . 89 H HB2 . 16038 1 884 . 1 1 89 89 HIS HB3 H 1 3.161 0.001 . 2 . . . . 89 H HB3 . 16038 1 885 . 1 1 89 89 HIS HD2 H 1 6.744 0.001 . 1 . . . . 89 H HD2 . 16038 1 886 . 1 1 89 89 HIS HE1 H 1 8.008 0.001 . 1 . . . . 89 H HE1 . 16038 1 887 . 1 1 89 89 HIS HE2 H 1 10.780 0.001 . 1 . . . . 89 H HE2 . 16038 1 888 . 1 1 89 89 HIS C C 13 174.050 0.001 . 1 . . . . 89 H C . 16038 1 889 . 1 1 89 89 HIS CA C 13 58.420 0.001 . 1 . . . . 89 H CA . 16038 1 890 . 1 1 89 89 HIS CB C 13 32.620 0.001 . 1 . . . . 89 H CB . 16038 1 891 . 1 1 89 89 HIS N N 15 124.000 0.001 . 1 . . . . 89 H N . 16038 1 892 . 1 1 89 89 HIS NE2 N 15 168.350 0.001 . 1 . . . . 89 H NE2 . 16038 1 893 . 1 1 90 90 ALA H H 1 8.454 0.001 . 1 . . . . 90 A H . 16038 1 894 . 1 1 90 90 ALA HA H 1 5.529 0.001 . 1 . . . . 90 A HA . 16038 1 895 . 1 1 90 90 ALA HB1 H 1 1.080 0.001 . . . . . . 90 A QB . 16038 1 896 . 1 1 90 90 ALA HB2 H 1 1.080 0.001 . . . . . . 90 A QB . 16038 1 897 . 1 1 90 90 ALA HB3 H 1 1.080 0.001 . . . . . . 90 A QB . 16038 1 898 . 1 1 90 90 ALA C C 13 176.260 0.001 . 1 . . . . 90 A C . 16038 1 899 . 1 1 90 90 ALA CA C 13 50.240 0.001 . 1 . . . . 90 A CA . 16038 1 900 . 1 1 90 90 ALA CB C 13 23.220 0.001 . 1 . . . . 90 A CB . 16038 1 901 . 1 1 90 90 ALA N N 15 116.480 0.001 . 1 . . . . 90 A N . 16038 1 902 . 1 1 91 91 GLU H H 1 9.216 0.001 . 1 . . . . 91 E H . 16038 1 903 . 1 1 91 91 GLU HA H 1 4.931 0.001 . 1 . . . . 91 E HA . 16038 1 904 . 1 1 91 91 GLU HB2 H 1 1.693 0.001 . 2 . . . . 91 E HB2 . 16038 1 905 . 1 1 91 91 GLU HB3 H 1 1.533 0.001 . 2 . . . . 91 E HB3 . 16038 1 906 . 1 1 91 91 GLU HG2 H 1 2.114 0.001 . 2 . . . . 91 E HG2 . 16038 1 907 . 1 1 91 91 GLU HG3 H 1 2.072 0.001 . 2 . . . . 91 E HG3 . 16038 1 908 . 1 1 91 91 GLU C C 13 173.910 0.001 . 1 . . . . 91 E C . 16038 1 909 . 1 1 91 91 GLU CA C 13 54.690 0.001 . 1 . . . . 91 E CA . 16038 1 910 . 1 1 91 91 GLU CB C 13 34.720 0.001 . 1 . . . . 91 E CB . 16038 1 911 . 1 1 91 91 GLU N N 15 118.140 0.001 . 1 . . . . 91 E N . 16038 1 912 . 1 1 92 92 PHE H H 1 9.330 0.001 . 1 . . . . 92 F H . 16038 1 913 . 1 1 92 92 PHE HA H 1 5.502 0.001 . 1 . . . . 92 F HA . 16038 1 914 . 1 1 92 92 PHE HB2 H 1 2.902 0.001 . 2 . . . . 92 F HB2 . 16038 1 915 . 1 1 92 92 PHE HB3 H 1 2.902 0.001 . 2 . . . . 92 F HB3 . 16038 1 916 . 1 1 92 92 PHE HD1 H 1 6.980 0.001 . 3 . . . . 92 F QD . 16038 1 917 . 1 1 92 92 PHE HD2 H 1 6.980 0.001 . 3 . . . . 92 F QD . 16038 1 918 . 1 1 92 92 PHE HE1 H 1 6.926 0.001 . 3 . . . . 92 F QE . 16038 1 919 . 1 1 92 92 PHE HE2 H 1 6.926 0.001 . 3 . . . . 92 F QE . 16038 1 920 . 1 1 92 92 PHE HZ H 1 6.792 0.001 . 1 . . . . 92 F HZ . 16038 1 921 . 1 1 92 92 PHE C C 13 176.650 0.001 . 1 . . . . 92 F C . 16038 1 922 . 1 1 92 92 PHE CA C 13 56.760 0.001 . 1 . . . . 92 F CA . 16038 1 923 . 1 1 92 92 PHE CB C 13 41.690 0.001 . 1 . . . . 92 F CB . 16038 1 924 . 1 1 92 92 PHE N N 15 119.490 0.001 . 1 . . . . 92 F N . 16038 1 925 . 1 1 93 93 ARG H H 1 9.846 0.001 . 1 . . . . 93 R H . 16038 1 926 . 1 1 93 93 ARG HA H 1 5.610 0.001 . 1 . . . . 93 R HA . 16038 1 927 . 1 1 93 93 ARG HB2 H 1 1.910 0.001 . 2 . . . . 93 R HB2 . 16038 1 928 . 1 1 93 93 ARG HB3 H 1 1.700 0.001 . 2 . . . . 93 R HB3 . 16038 1 929 . 1 1 93 93 ARG HD2 H 1 3.147 0.001 . 2 . . . . 93 R HD2 . 16038 1 930 . 1 1 93 93 ARG HD3 H 1 3.147 0.001 . 2 . . . . 93 R HD3 . 16038 1 931 . 1 1 93 93 ARG HE H 1 6.870 0.001 . 1 . . . . 93 R HE . 16038 1 932 . 1 1 93 93 ARG HG2 H 1 1.700 0.001 . 2 . . . . 93 R HG2 . 16038 1 933 . 1 1 93 93 ARG HG3 H 1 1.433 0.001 . 2 . . . . 93 R HG3 . 16038 1 934 . 1 1 93 93 ARG C C 13 175.010 0.001 . 1 . . . . 93 R C . 16038 1 935 . 1 1 93 93 ARG CA C 13 54.580 0.001 . 1 . . . . 93 R CA . 16038 1 936 . 1 1 93 93 ARG CB C 13 34.220 0.001 . 1 . . . . 93 R CB . 16038 1 937 . 1 1 93 93 ARG N N 15 127.300 0.001 . 1 . . . . 93 R N . 16038 1 938 . 1 1 93 93 ARG NE N 15 83.270 0.001 . 1 . . . . 93 R NE . 16038 1 939 . 1 1 94 94 ILE H H 1 8.521 0.001 . 1 . . . . 94 I H . 16038 1 940 . 1 1 94 94 ILE HA H 1 4.410 0.001 . 1 . . . . 94 I HA . 16038 1 941 . 1 1 94 94 ILE HB H 1 1.390 0.001 . 1 . . . . 94 I HB . 16038 1 942 . 1 1 94 94 ILE HD11 H 1 0.279 0.001 . . . . . . 94 I QD1 . 16038 1 943 . 1 1 94 94 ILE HD12 H 1 0.279 0.001 . . . . . . 94 I QD1 . 16038 1 944 . 1 1 94 94 ILE HD13 H 1 0.279 0.001 . . . . . . 94 I QD1 . 16038 1 945 . 1 1 94 94 ILE HG12 H 1 1.390 0.001 . 2 . . . . 94 I HG12 . 16038 1 946 . 1 1 94 94 ILE HG13 H 1 1.390 0.001 . 2 . . . . 94 I HG13 . 16038 1 947 . 1 1 94 94 ILE HG21 H 1 0.553 0.001 . . . . . . 94 I QG2 . 16038 1 948 . 1 1 94 94 ILE HG22 H 1 0.553 0.001 . . . . . . 94 I QG2 . 16038 1 949 . 1 1 94 94 ILE HG23 H 1 0.553 0.001 . . . . . . 94 I QG2 . 16038 1 950 . 1 1 94 94 ILE C C 13 176.420 0.001 . 1 . . . . 94 I C . 16038 1 951 . 1 1 94 94 ILE CA C 13 61.130 0.001 . 1 . . . . 94 I CA . 16038 1 952 . 1 1 94 94 ILE CB C 13 38.830 0.001 . 1 . . . . 94 I CB . 16038 1 953 . 1 1 94 94 ILE N N 15 121.680 0.001 . 1 . . . . 94 I N . 16038 1 954 . 1 1 95 95 ASN H H 1 8.847 0.001 . 1 . . . . 95 N H . 16038 1 955 . 1 1 95 95 ASN HA H 1 4.796 0.001 . 1 . . . . 95 N HA . 16038 1 956 . 1 1 95 95 ASN HB2 H 1 2.643 0.001 . 2 . . . . 95 N HB2 . 16038 1 957 . 1 1 95 95 ASN HB3 H 1 2.454 0.001 . 2 . . . . 95 N HB3 . 16038 1 958 . 1 1 95 95 ASN HD21 H 1 7.787 0.001 . 2 . . . . 95 N HD21 . 16038 1 959 . 1 1 95 95 ASN HD22 H 1 6.629 0.001 . 2 . . . . 95 N HD22 . 16038 1 960 . 1 1 95 95 ASN C C 13 174.430 0.001 . 1 . . . . 95 N C . 16038 1 961 . 1 1 95 95 ASN CA C 13 52.560 0.001 . 1 . . . . 95 N CA . 16038 1 962 . 1 1 95 95 ASN CB C 13 40.510 0.001 . 1 . . . . 95 N CB . 16038 1 963 . 1 1 95 95 ASN N N 15 127.100 0.001 . 1 . . . . 95 N N . 16038 1 964 . 1 1 95 95 ASN ND2 N 15 113.440 0.001 . 1 . . . . 95 N ND2 . 16038 1 965 . 1 1 96 96 GLU H H 1 9.303 0.001 . 1 . . . . 96 E H . 16038 1 966 . 1 1 96 96 GLU HA H 1 3.768 0.001 . 1 . . . . 96 E HA . 16038 1 967 . 1 1 96 96 GLU HB2 H 1 2.121 0.001 . 2 . . . . 96 E HB2 . 16038 1 968 . 1 1 96 96 GLU HB3 H 1 1.905 0.001 . 2 . . . . 96 E HB3 . 16038 1 969 . 1 1 96 96 GLU HG2 H 1 2.249 0.001 . 2 . . . . 96 E HG2 . 16038 1 970 . 1 1 96 96 GLU HG3 H 1 2.121 0.001 . 2 . . . . 96 E HG3 . 16038 1 971 . 1 1 96 96 GLU C C 13 176.280 0.001 . 1 . . . . 96 E C . 16038 1 972 . 1 1 96 96 GLU CA C 13 57.150 0.001 . 1 . . . . 96 E CA . 16038 1 973 . 1 1 96 96 GLU CB C 13 27.590 0.001 . 1 . . . . 96 E CB . 16038 1 974 . 1 1 96 96 GLU N N 15 125.150 0.001 . 1 . . . . 96 E N . 16038 1 975 . 1 1 97 97 GLY H H 1 7.937 0.001 . 1 . . . . 97 G H . 16038 1 976 . 1 1 97 97 GLY HA2 H 1 4.042 0.001 . 2 . . . . 97 G HA2 . 16038 1 977 . 1 1 97 97 GLY HA3 H 1 3.450 0.001 . 2 . . . . 97 G HA3 . 16038 1 978 . 1 1 97 97 GLY C C 13 172.990 0.001 . 1 . . . . 97 G C . 16038 1 979 . 1 1 97 97 GLY CA C 13 45.390 0.001 . 1 . . . . 97 G CA . 16038 1 980 . 1 1 97 97 GLY N N 15 104.330 0.001 . 1 . . . . 97 G N . 16038 1 981 . 1 1 98 98 GLU H H 1 7.557 0.001 . 1 . . . . 98 E H . 16038 1 982 . 1 1 98 98 GLU HA H 1 4.591 0.001 . 1 . . . . 98 E HA . 16038 1 983 . 1 1 98 98 GLU HB2 H 1 2.072 0.001 . 2 . . . . 98 E HB2 . 16038 1 984 . 1 1 98 98 GLU HB3 H 1 1.935 0.001 . 2 . . . . 98 E HB3 . 16038 1 985 . 1 1 98 98 GLU HG2 H 1 2.275 0.001 . 2 . . . . 98 E HG2 . 16038 1 986 . 1 1 98 98 GLU HG3 H 1 2.126 0.001 . 2 . . . . 98 E HG3 . 16038 1 987 . 1 1 98 98 GLU C C 13 174.530 0.001 . 1 . . . . 98 E C . 16038 1 988 . 1 1 98 98 GLU CA C 13 54.770 0.001 . 1 . . . . 98 E CA . 16038 1 989 . 1 1 98 98 GLU CB C 13 32.290 0.001 . 1 . . . . 98 E CB . 16038 1 990 . 1 1 98 98 GLU N N 15 119.350 0.001 . 1 . . . . 98 E N . 16038 1 991 . 1 1 99 99 PHE H H 1 9.412 0.001 . 1 . . . . 99 F H . 16038 1 992 . 1 1 99 99 PHE HA H 1 5.007 0.001 . 1 . . . . 99 F HA . 16038 1 993 . 1 1 99 99 PHE HB2 H 1 2.882 0.001 . 2 . . . . 99 F HB2 . 16038 1 994 . 1 1 99 99 PHE HB3 H 1 2.391 0.001 . 2 . . . . 99 F HB3 . 16038 1 995 . 1 1 99 99 PHE HD1 H 1 7.234 0.001 . 3 . . . . 99 F QD . 16038 1 996 . 1 1 99 99 PHE HD2 H 1 7.234 0.001 . 3 . . . . 99 F QD . 16038 1 997 . 1 1 99 99 PHE HE1 H 1 7.100 0.001 . 3 . . . . 99 F QE . 16038 1 998 . 1 1 99 99 PHE HE2 H 1 7.100 0.001 . 3 . . . . 99 F QE . 16038 1 999 . 1 1 99 99 PHE C C 13 174.050 0.001 . 1 . . . . 99 F C . 16038 1 1000 . 1 1 99 99 PHE CA C 13 57.260 0.001 . 1 . . . . 99 F CA . 16038 1 1001 . 1 1 99 99 PHE CB C 13 42.110 0.001 . 1 . . . . 99 F CB . 16038 1 1002 . 1 1 99 99 PHE N N 15 122.550 0.001 . 1 . . . . 99 F N . 16038 1 1003 . 1 1 100 100 GLU H H 1 9.444 0.001 . 1 . . . . 100 E H . 16038 1 1004 . 1 1 100 100 GLU HA H 1 5.145 0.001 . 1 . . . . 100 E HA . 16038 1 1005 . 1 1 100 100 GLU HB2 H 1 1.845 0.001 . 2 . . . . 100 E HB2 . 16038 1 1006 . 1 1 100 100 GLU HB3 H 1 1.694 0.001 . 2 . . . . 100 E HB3 . 16038 1 1007 . 1 1 100 100 GLU HG2 H 1 1.959 0.001 . 2 . . . . 100 E HG2 . 16038 1 1008 . 1 1 100 100 GLU HG3 H 1 1.959 0.001 . 2 . . . . 100 E HG3 . 16038 1 1009 . 1 1 100 100 GLU C C 13 175.340 0.001 . 1 . . . . 100 E C . 16038 1 1010 . 1 1 100 100 GLU CA C 13 54.080 0.001 . 1 . . . . 100 E CA . 16038 1 1011 . 1 1 100 100 GLU CB C 13 34.720 0.001 . 1 . . . . 100 E CB . 16038 1 1012 . 1 1 100 100 GLU N N 15 124.080 0.001 . 1 . . . . 100 E N . 16038 1 1013 . 1 1 101 101 VAL H H 1 8.726 0.001 . 1 . . . . 101 V H . 16038 1 1014 . 1 1 101 101 VAL HA H 1 4.900 0.001 . 1 . . . . 101 V HA . 16038 1 1015 . 1 1 101 101 VAL HB H 1 2.118 0.001 . 1 . . . . 101 V HB . 16038 1 1016 . 1 1 101 101 VAL HG11 H 1 0.197 0.001 . . . . . . 101 V QG1 . 16038 1 1017 . 1 1 101 101 VAL HG12 H 1 0.197 0.001 . . . . . . 101 V QG1 . 16038 1 1018 . 1 1 101 101 VAL HG13 H 1 0.197 0.001 . . . . . . 101 V QG1 . 16038 1 1019 . 1 1 101 101 VAL HG21 H 1 0.804 0.001 . . . . . . 101 V QG2 . 16038 1 1020 . 1 1 101 101 VAL HG22 H 1 0.804 0.001 . . . . . . 101 V QG2 . 16038 1 1021 . 1 1 101 101 VAL HG23 H 1 0.804 0.001 . . . . . . 101 V QG2 . 16038 1 1022 . 1 1 101 101 VAL C C 13 172.510 0.001 . 1 . . . . 101 V C . 16038 1 1023 . 1 1 101 101 VAL CA C 13 58.710 0.001 . 1 . . . . 101 V CA . 16038 1 1024 . 1 1 101 101 VAL CB C 13 33.550 0.001 . 1 . . . . 101 V CB . 16038 1 1025 . 1 1 101 101 VAL N N 15 124.500 0.001 . 1 . . . . 101 V N . 16038 1 1026 . 1 1 102 102 VAL H H 1 8.719 0.001 . 1 . . . . 102 V H . 16038 1 1027 . 1 1 102 102 VAL HA H 1 4.578 0.001 . 1 . . . . 102 V HA . 16038 1 1028 . 1 1 102 102 VAL HB H 1 1.691 0.001 . 1 . . . . 102 V HB . 16038 1 1029 . 1 1 102 102 VAL HG11 H 1 0.748 0.001 . . . . . . 102 V QG1 . 16038 1 1030 . 1 1 102 102 VAL HG12 H 1 0.748 0.001 . . . . . . 102 V QG1 . 16038 1 1031 . 1 1 102 102 VAL HG13 H 1 0.748 0.001 . . . . . . 102 V QG1 . 16038 1 1032 . 1 1 102 102 VAL HG21 H 1 0.670 0.001 . . . . . . 102 V QG2 . 16038 1 1033 . 1 1 102 102 VAL HG22 H 1 0.670 0.001 . . . . . . 102 V QG2 . 16038 1 1034 . 1 1 102 102 VAL HG23 H 1 0.670 0.001 . . . . . . 102 V QG2 . 16038 1 1035 . 1 1 102 102 VAL C C 13 175.380 0.001 . 1 . . . . 102 V C . 16038 1 1036 . 1 1 102 102 VAL CA C 13 60.370 0.001 . 1 . . . . 102 V CA . 16038 1 1037 . 1 1 102 102 VAL CB C 13 36.060 0.001 . 1 . . . . 102 V CB . 16038 1 1038 . 1 1 102 102 VAL N N 15 125.900 0.001 . 1 . . . . 102 V N . 16038 1 1039 . 1 1 103 103 ASP H H 1 8.626 0.001 . 1 . . . . 103 D H . 16038 1 1040 . 1 1 103 103 ASP HA H 1 4.856 0.001 . 1 . . . . 103 D HA . 16038 1 1041 . 1 1 103 103 ASP HB2 H 1 2.965 0.001 . 2 . . . . 103 D HB2 . 16038 1 1042 . 1 1 103 103 ASP HB3 H 1 2.456 0.001 . 2 . . . . 103 D HB3 . 16038 1 1043 . 1 1 103 103 ASP C C 13 177.300 0.001 . 1 . . . . 103 D C . 16038 1 1044 . 1 1 103 103 ASP CA C 13 54.580 0.001 . 1 . . . . 103 D CA . 16038 1 1045 . 1 1 103 103 ASP CB C 13 44.210 0.001 . 1 . . . . 103 D CB . 16038 1 1046 . 1 1 103 103 ASP N N 15 127.250 0.001 . 1 . . . . 103 D N . 16038 1 1047 . 1 1 104 104 VAL H H 1 7.890 0.001 . 1 . . . . 104 V H . 16038 1 1048 . 1 1 104 104 VAL HA H 1 4.527 0.001 . 1 . . . . 104 V HA . 16038 1 1049 . 1 1 104 104 VAL HB H 1 2.339 0.001 . 1 . . . . 104 V HB . 16038 1 1050 . 1 1 104 104 VAL HG11 H 1 0.608 0.001 . . . . . . 104 V QG1 . 16038 1 1051 . 1 1 104 104 VAL HG12 H 1 0.608 0.001 . . . . . . 104 V QG1 . 16038 1 1052 . 1 1 104 104 VAL HG13 H 1 0.608 0.001 . . . . . . 104 V QG1 . 16038 1 1053 . 1 1 104 104 VAL HG21 H 1 0.405 0.001 . . . . . . 104 V QG2 . 16038 1 1054 . 1 1 104 104 VAL HG22 H 1 0.405 0.001 . . . . . . 104 V QG2 . 16038 1 1055 . 1 1 104 104 VAL HG23 H 1 0.405 0.001 . . . . . . 104 V QG2 . 16038 1 1056 . 1 1 104 104 VAL C C 13 174.490 0.001 . 1 . . . . 104 V C . 16038 1 1057 . 1 1 104 104 VAL CA C 13 60.630 0.001 . 1 . . . . 104 V CA . 16038 1 1058 . 1 1 104 104 VAL CB C 13 29.350 0.001 . 1 . . . . 104 V CB . 16038 1 1059 . 1 1 104 104 VAL N N 15 119.270 0.001 . 1 . . . . 104 V N . 16038 1 1060 . 1 1 105 105 GLY H H 1 8.690 0.001 . 1 . . . . 105 G H . 16038 1 1061 . 1 1 105 105 GLY HA2 H 1 4.270 0.001 . 2 . . . . 105 G HA2 . 16038 1 1062 . 1 1 105 105 GLY HA3 H 1 3.685 0.001 . 2 . . . . 105 G HA3 . 16038 1 1063 . 1 1 105 105 GLY C C 13 175.490 0.001 . 1 . . . . 105 G C . 16038 1 1064 . 1 1 105 105 GLY CA C 13 45.650 0.001 . 1 . . . . 105 G CA . 16038 1 1065 . 1 1 105 105 GLY N N 15 111.790 0.001 . 1 . . . . 105 G N . 16038 1 1066 . 1 1 106 106 SER H H 1 9.218 0.001 . 1 . . . . 106 S H . 16038 1 1067 . 1 1 106 106 SER HA H 1 3.894 0.001 . 1 . . . . 106 S HA . 16038 1 1068 . 1 1 106 106 SER HB2 H 1 3.361 0.001 . 2 . . . . 106 S HB2 . 16038 1 1069 . 1 1 106 106 SER HB3 H 1 3.000 0.001 . 2 . . . . 106 S HB3 . 16038 1 1070 . 1 1 106 106 SER C C 13 174.590 0.001 . 1 . . . . 106 S C . 16038 1 1071 . 1 1 106 106 SER CA C 13 58.600 0.001 . 1 . . . . 106 S CA . 16038 1 1072 . 1 1 106 106 SER CB C 13 61.250 0.001 . 1 . . . . 106 S CB . 16038 1 1073 . 1 1 106 106 SER N N 15 121.540 0.001 . 1 . . . . 106 S N . 16038 1 1074 . 1 1 107 107 LEU H H 1 8.018 0.001 . 1 . . . . 107 L H . 16038 1 1075 . 1 1 107 107 LEU HA H 1 4.240 0.001 . 1 . . . . 107 L HA . 16038 1 1076 . 1 1 107 107 LEU HB2 H 1 1.730 0.001 . 2 . . . . 107 L HB2 . 16038 1 1077 . 1 1 107 107 LEU HB3 H 1 1.730 0.001 . 2 . . . . 107 L HB3 . 16038 1 1078 . 1 1 107 107 LEU HD11 H 1 0.902 0.001 . . . . . . 107 L QD1 . 16038 1 1079 . 1 1 107 107 LEU HD12 H 1 0.902 0.001 . . . . . . 107 L QD1 . 16038 1 1080 . 1 1 107 107 LEU HD13 H 1 0.902 0.001 . . . . . . 107 L QD1 . 16038 1 1081 . 1 1 107 107 LEU HD21 H 1 0.681 0.001 . . . . . . 107 L QD2 . 16038 1 1082 . 1 1 107 107 LEU HD22 H 1 0.681 0.001 . . . . . . 107 L QD2 . 16038 1 1083 . 1 1 107 107 LEU HD23 H 1 0.681 0.001 . . . . . . 107 L QD2 . 16038 1 1084 . 1 1 107 107 LEU HG H 1 1.413 0.001 . 1 . . . . 107 L HG . 16038 1 1085 . 1 1 107 107 LEU C C 13 179.420 0.001 . 1 . . . . 107 L C . 16038 1 1086 . 1 1 107 107 LEU CA C 13 57.590 0.001 . 1 . . . . 107 L CA . 16038 1 1087 . 1 1 107 107 LEU CB C 13 42.360 0.001 . 1 . . . . 107 L CB . 16038 1 1088 . 1 1 107 107 LEU N N 15 121.520 0.001 . 1 . . . . 107 L N . 16038 1 1089 . 1 1 108 108 ASN H H 1 8.799 0.001 . 1 . . . . 108 N H . 16038 1 1090 . 1 1 108 108 ASN HA H 1 4.986 0.001 . 1 . . . . 108 N HA . 16038 1 1091 . 1 1 108 108 ASN HB2 H 1 3.342 0.001 . 2 . . . . 108 N HB2 . 16038 1 1092 . 1 1 108 108 ASN HB3 H 1 2.994 0.001 . 2 . . . . 108 N HB3 . 16038 1 1093 . 1 1 108 108 ASN C C 13 175.950 0.001 . 1 . . . . 108 N C . 16038 1 1094 . 1 1 108 108 ASN CA C 13 54.440 0.001 . 1 . . . . 108 N CA . 16038 1 1095 . 1 1 108 108 ASN CB C 13 41.180 0.001 . 1 . . . . 108 N CB . 16038 1 1096 . 1 1 108 108 ASN N N 15 111.800 0.001 . 1 . . . . 108 N N . 16038 1 1097 . 1 1 109 109 GLY H H 1 8.025 0.001 . 1 . . . . 109 G H . 16038 1 1098 . 1 1 109 109 GLY HA2 H 1 4.237 0.001 . 2 . . . . 109 G HA2 . 16038 1 1099 . 1 1 109 109 GLY HA3 H 1 3.621 0.001 . 2 . . . . 109 G HA3 . 16038 1 1100 . 1 1 109 109 GLY C C 13 173.820 0.001 . 1 . . . . 109 G C . 16038 1 1101 . 1 1 109 109 GLY CA C 13 44.340 0.001 . 1 . . . . 109 G CA . 16038 1 1102 . 1 1 109 109 GLY N N 15 110.600 0.001 . 1 . . . . 109 G N . 16038 1 1103 . 1 1 110 110 THR H H 1 8.770 0.001 . 1 . . . . 110 T H . 16038 1 1104 . 1 1 110 110 THR HA H 1 4.797 0.001 . 1 . . . . 110 T HA . 16038 1 1105 . 1 1 110 110 THR HB H 1 3.880 0.001 . 1 . . . . 110 T HB . 16038 1 1106 . 1 1 110 110 THR HG21 H 1 0.886 0.001 . . . . . . 110 T QG2 . 16038 1 1107 . 1 1 110 110 THR HG22 H 1 0.886 0.001 . . . . . . 110 T QG2 . 16038 1 1108 . 1 1 110 110 THR HG23 H 1 0.886 0.001 . . . . . . 110 T QG2 . 16038 1 1109 . 1 1 110 110 THR C C 13 172.570 0.001 . 1 . . . . 110 T C . 16038 1 1110 . 1 1 110 110 THR CA C 13 64.540 0.001 . 1 . . . . 110 T CA . 16038 1 1111 . 1 1 110 110 THR CB C 13 70.230 0.001 . 1 . . . . 110 T CB . 16038 1 1112 . 1 1 110 110 THR N N 15 121.240 0.001 . 1 . . . . 110 T N . 16038 1 1113 . 1 1 111 111 TYR H H 1 8.272 0.001 . 1 . . . . 111 Y H . 16038 1 1114 . 1 1 111 111 TYR HA H 1 5.155 0.001 . 1 . . . . 111 Y HA . 16038 1 1115 . 1 1 111 111 TYR HB2 H 1 3.050 0.001 . 2 . . . . 111 Y HB2 . 16038 1 1116 . 1 1 111 111 TYR HB3 H 1 2.315 0.001 . 2 . . . . 111 Y HB3 . 16038 1 1117 . 1 1 111 111 TYR HD1 H 1 6.723 0.001 . 3 . . . . 111 Y QD . 16038 1 1118 . 1 1 111 111 TYR HD2 H 1 6.723 0.001 . 3 . . . . 111 Y QD . 16038 1 1119 . 1 1 111 111 TYR HE1 H 1 6.897 0.001 . 3 . . . . 111 Y QE . 16038 1 1120 . 1 1 111 111 TYR HE2 H 1 6.897 0.001 . 3 . . . . 111 Y QE . 16038 1 1121 . 1 1 111 111 TYR C C 13 175.860 0.001 . 1 . . . . 111 Y C . 16038 1 1122 . 1 1 111 111 TYR CA C 13 55.820 0.001 . 1 . . . . 111 Y CA . 16038 1 1123 . 1 1 111 111 TYR CB C 13 41.100 0.001 . 1 . . . . 111 Y CB . 16038 1 1124 . 1 1 111 111 TYR N N 15 123.680 0.001 . 1 . . . . 111 Y N . 16038 1 1125 . 1 1 112 112 VAL H H 1 9.017 0.001 . 1 . . . . 112 V H . 16038 1 1126 . 1 1 112 112 VAL HA H 1 4.951 0.001 . 1 . . . . 112 V HA . 16038 1 1127 . 1 1 112 112 VAL HB H 1 1.822 0.001 . 1 . . . . 112 V HB . 16038 1 1128 . 1 1 112 112 VAL HG11 H 1 0.789 0.001 . . . . . . 112 V QG1 . 16038 1 1129 . 1 1 112 112 VAL HG12 H 1 0.789 0.001 . . . . . . 112 V QG1 . 16038 1 1130 . 1 1 112 112 VAL HG13 H 1 0.789 0.001 . . . . . . 112 V QG1 . 16038 1 1131 . 1 1 112 112 VAL HG21 H 1 0.675 0.001 . . . . . . 112 V QG2 . 16038 1 1132 . 1 1 112 112 VAL HG22 H 1 0.675 0.001 . . . . . . 112 V QG2 . 16038 1 1133 . 1 1 112 112 VAL HG23 H 1 0.675 0.001 . . . . . . 112 V QG2 . 16038 1 1134 . 1 1 112 112 VAL C C 13 176.780 0.001 . 1 . . . . 112 V C . 16038 1 1135 . 1 1 112 112 VAL CA C 13 61.130 0.001 . 1 . . . . 112 V CA . 16038 1 1136 . 1 1 112 112 VAL CB C 13 32.870 0.001 . 1 . . . . 112 V CB . 16038 1 1137 . 1 1 112 112 VAL N N 15 121.300 0.001 . 1 . . . . 112 V N . 16038 1 1138 . 1 1 113 113 ASN H H 1 10.285 0.001 . 1 . . . . 113 N H . 16038 1 1139 . 1 1 113 113 ASN HA H 1 4.483 0.001 . 1 . . . . 113 N HA . 16038 1 1140 . 1 1 113 113 ASN HB2 H 1 3.047 0.001 . 2 . . . . 113 N HB2 . 16038 1 1141 . 1 1 113 113 ASN HB3 H 1 2.874 0.001 . 2 . . . . 113 N HB3 . 16038 1 1142 . 1 1 113 113 ASN HD21 H 1 7.788 0.001 . 2 . . . . 113 N HD21 . 16038 1 1143 . 1 1 113 113 ASN HD22 H 1 7.557 0.001 . 2 . . . . 113 N HD22 . 16038 1 1144 . 1 1 113 113 ASN C C 13 174.590 0.001 . 1 . . . . 113 N C . 16038 1 1145 . 1 1 113 113 ASN CA C 13 55.160 0.001 . 1 . . . . 113 N CA . 16038 1 1146 . 1 1 113 113 ASN CB C 13 37.240 0.001 . 1 . . . . 113 N CB . 16038 1 1147 . 1 1 113 113 ASN N N 15 129.510 0.001 . 1 . . . . 113 N N . 16038 1 1148 . 1 1 113 113 ASN ND2 N 15 117.680 0.001 . 1 . . . . 113 N ND2 . 16038 1 1149 . 1 1 114 114 ARG H H 1 9.459 0.001 . 1 . . . . 114 R H . 16038 1 1150 . 1 1 114 114 ARG HA H 1 3.659 0.001 . 1 . . . . 114 R HA . 16038 1 1151 . 1 1 114 114 ARG HB2 H 1 2.346 0.001 . 2 . . . . 114 R HB2 . 16038 1 1152 . 1 1 114 114 ARG HB3 H 1 2.025 0.001 . 2 . . . . 114 R HB3 . 16038 1 1153 . 1 1 114 114 ARG HD2 H 1 3.168 0.001 . 2 . . . . 114 R HD2 . 16038 1 1154 . 1 1 114 114 ARG HD3 H 1 3.075 0.001 . 2 . . . . 114 R HD3 . 16038 1 1155 . 1 1 114 114 ARG HE H 1 7.638 0.001 . 1 . . . . 114 R HE . 16038 1 1156 . 1 1 114 114 ARG HG2 H 1 1.578 0.001 . 2 . . . . 114 R HG2 . 16038 1 1157 . 1 1 114 114 ARG HG3 H 1 1.505 0.001 . 2 . . . . 114 R HG3 . 16038 1 1158 . 1 1 114 114 ARG C C 13 174.900 0.001 . 1 . . . . 114 R C . 16038 1 1159 . 1 1 114 114 ARG CA C 13 58.280 0.001 . 1 . . . . 114 R CA . 16038 1 1160 . 1 1 114 114 ARG CB C 13 27.250 0.001 . 1 . . . . 114 R CB . 16038 1 1161 . 1 1 114 114 ARG N N 15 106.570 0.001 . 1 . . . . 114 R N . 16038 1 1162 . 1 1 114 114 ARG NE N 15 85.060 0.001 . 1 . . . . 114 R NE . 16038 1 1163 . 1 1 115 115 GLU H H 1 7.827 0.001 . 1 . . . . 115 E H . 16038 1 1164 . 1 1 115 115 GLU HA H 1 5.153 0.001 . 1 . . . . 115 E HA . 16038 1 1165 . 1 1 115 115 GLU HB2 H 1 2.030 0.001 . 2 . . . . 115 E HB2 . 16038 1 1166 . 1 1 115 115 GLU HB3 H 1 1.905 0.001 . 2 . . . . 115 E HB3 . 16038 1 1167 . 1 1 115 115 GLU HG2 H 1 2.368 0.001 . 2 . . . . 115 E HG2 . 16038 1 1168 . 1 1 115 115 GLU HG3 H 1 2.264 0.001 . 2 . . . . 115 E HG3 . 16038 1 1169 . 1 1 115 115 GLU C C 13 173.950 0.001 . 1 . . . . 115 E C . 16038 1 1170 . 1 1 115 115 GLU CA C 13 52.990 0.001 . 1 . . . . 115 E CA . 16038 1 1171 . 1 1 115 115 GLU N N 15 119.780 0.001 . 1 . . . . 115 E N . 16038 1 1172 . 1 1 116 116 PRO HA H 1 3.983 0.001 . 1 . . . . 116 P HA . 16038 1 1173 . 1 1 116 116 PRO HB2 H 1 2.070 0.001 . 2 . . . . 116 P HB2 . 16038 1 1174 . 1 1 116 116 PRO HB3 H 1 1.623 0.001 . 2 . . . . 116 P HB3 . 16038 1 1175 . 1 1 116 116 PRO HD2 H 1 3.942 0.001 . 2 . . . . 116 P HD2 . 16038 1 1176 . 1 1 116 116 PRO HD3 H 1 3.853 0.001 . 2 . . . . 116 P HD3 . 16038 1 1177 . 1 1 116 116 PRO C C 13 177.780 0.001 . 1 . . . . 116 P C . 16038 1 1178 . 1 1 116 116 PRO CA C 13 62.910 0.001 . 1 . . . . 116 P CA . 16038 1 1179 . 1 1 116 116 PRO CB C 13 31.200 0.001 . 1 . . . . 116 P CB . 16038 1 1180 . 1 1 117 117 ARG H H 1 8.414 0.001 . 1 . . . . 117 R H . 16038 1 1181 . 1 1 117 117 ARG HA H 1 4.699 0.001 . 1 . . . . 117 R HA . 16038 1 1182 . 1 1 117 117 ARG HB2 H 1 1.764 0.001 . 2 . . . . 117 R HB2 . 16038 1 1183 . 1 1 117 117 ARG HB3 H 1 1.764 0.001 . 2 . . . . 117 R HB3 . 16038 1 1184 . 1 1 117 117 ARG HD2 H 1 3.502 0.001 . 2 . . . . 117 R HD2 . 16038 1 1185 . 1 1 117 117 ARG HD3 H 1 3.221 0.001 . 2 . . . . 117 R HD3 . 16038 1 1186 . 1 1 117 117 ARG HE H 1 7.119 0.001 . 1 . . . . 117 R HE . 16038 1 1187 . 1 1 117 117 ARG HG2 H 1 1.457 0.001 . 2 . . . . 117 R HG2 . 16038 1 1188 . 1 1 117 117 ARG HG3 H 1 1.401 0.001 . 2 . . . . 117 R HG3 . 16038 1 1189 . 1 1 117 117 ARG C C 13 175.260 0.001 . 1 . . . . 117 R C . 16038 1 1190 . 1 1 117 117 ARG CA C 13 52.990 0.001 . 1 . . . . 117 R CA . 16038 1 1191 . 1 1 117 117 ARG CB C 13 24.560 0.001 . 1 . . . . 117 R CB . 16038 1 1192 . 1 1 117 117 ARG N N 15 121.900 0.001 . 1 . . . . 117 R N . 16038 1 1193 . 1 1 117 117 ARG NE N 15 85.760 0.001 . 1 . . . . 117 R NE . 16038 1 1194 . 1 1 118 118 ASN H H 1 8.741 0.001 . 1 . . . . 118 N H . 16038 1 1195 . 1 1 118 118 ASN HA H 1 4.731 0.001 . 1 . . . . 118 N HA . 16038 1 1196 . 1 1 118 118 ASN HB2 H 1 2.881 0.001 . 2 . . . . 118 N HB2 . 16038 1 1197 . 1 1 118 118 ASN HB3 H 1 2.752 0.001 . 2 . . . . 118 N HB3 . 16038 1 1198 . 1 1 118 118 ASN HD21 H 1 7.647 0.001 . 2 . . . . 118 N HD21 . 16038 1 1199 . 1 1 118 118 ASN HD22 H 1 6.945 0.001 . 2 . . . . 118 N HD22 . 16038 1 1200 . 1 1 118 118 ASN C C 13 175.220 0.001 . 1 . . . . 118 N C . 16038 1 1201 . 1 1 118 118 ASN CA C 13 55.090 0.001 . 1 . . . . 118 N CA . 16038 1 1202 . 1 1 118 118 ASN CB C 13 38.920 0.001 . 1 . . . . 118 N CB . 16038 1 1203 . 1 1 118 118 ASN N N 15 120.190 0.001 . 1 . . . . 118 N N . 16038 1 1204 . 1 1 118 118 ASN ND2 N 15 113.070 0.001 . 1 . . . . 118 N ND2 . 16038 1 1205 . 1 1 119 119 ALA H H 1 7.372 0.001 . 1 . . . . 119 A H . 16038 1 1206 . 1 1 119 119 ALA HA H 1 5.319 0.001 . 1 . . . . 119 A HA . 16038 1 1207 . 1 1 119 119 ALA HB1 H 1 1.334 0.001 . . . . . . 119 A QB . 16038 1 1208 . 1 1 119 119 ALA HB2 H 1 1.334 0.001 . . . . . . 119 A QB . 16038 1 1209 . 1 1 119 119 ALA HB3 H 1 1.334 0.001 . . . . . . 119 A QB . 16038 1 1210 . 1 1 119 119 ALA C C 13 176.720 0.001 . 1 . . . . 119 A C . 16038 1 1211 . 1 1 119 119 ALA CA C 13 52.120 0.001 . 1 . . . . 119 A CA . 16038 1 1212 . 1 1 119 119 ALA CB C 13 21.460 0.001 . 1 . . . . 119 A CB . 16038 1 1213 . 1 1 119 119 ALA N N 15 120.380 0.001 . 1 . . . . 119 A N . 16038 1 1214 . 1 1 120 120 GLN H H 1 8.787 0.001 . 1 . . . . 120 Q H . 16038 1 1215 . 1 1 120 120 GLN HA H 1 4.505 0.001 . 1 . . . . 120 Q HA . 16038 1 1216 . 1 1 120 120 GLN HB2 H 1 1.932 0.001 . 2 . . . . 120 Q HB2 . 16038 1 1217 . 1 1 120 120 GLN HB3 H 1 1.497 0.001 . 2 . . . . 120 Q HB3 . 16038 1 1218 . 1 1 120 120 GLN HE21 H 1 8.048 0.001 . 2 . . . . 120 Q HE21 . 16038 1 1219 . 1 1 120 120 GLN HE22 H 1 6.888 0.001 . 2 . . . . 120 Q HE22 . 16038 1 1220 . 1 1 120 120 GLN HG2 H 1 2.258 0.001 . 2 . . . . 120 Q HG2 . 16038 1 1221 . 1 1 120 120 GLN HG3 H 1 2.138 0.001 . 2 . . . . 120 Q HG3 . 16038 1 1222 . 1 1 120 120 GLN C C 13 174.380 0.001 . 1 . . . . 120 Q C . 16038 1 1223 . 1 1 120 120 GLN CA C 13 56.030 0.001 . 1 . . . . 120 Q CA . 16038 1 1224 . 1 1 120 120 GLN CB C 13 32.790 0.001 . 1 . . . . 120 Q CB . 16038 1 1225 . 1 1 120 120 GLN N N 15 121.180 0.001 . 1 . . . . 120 Q N . 16038 1 1226 . 1 1 120 120 GLN NE2 N 15 114.110 0.001 . 1 . . . . 120 Q NE2 . 16038 1 1227 . 1 1 121 121 VAL H H 1 8.692 0.001 . 1 . . . . 121 V H . 16038 1 1228 . 1 1 121 121 VAL HA H 1 4.258 0.001 . 1 . . . . 121 V HA . 16038 1 1229 . 1 1 121 121 VAL HB H 1 1.941 0.001 . 1 . . . . 121 V HB . 16038 1 1230 . 1 1 121 121 VAL HG11 H 1 0.965 0.001 . . . . . . 121 V QG1 . 16038 1 1231 . 1 1 121 121 VAL HG12 H 1 0.965 0.001 . . . . . . 121 V QG1 . 16038 1 1232 . 1 1 121 121 VAL HG13 H 1 0.965 0.001 . . . . . . 121 V QG1 . 16038 1 1233 . 1 1 121 121 VAL HG21 H 1 0.965 0.001 . . . . . . 121 V QG2 . 16038 1 1234 . 1 1 121 121 VAL HG22 H 1 0.965 0.001 . . . . . . 121 V QG2 . 16038 1 1235 . 1 1 121 121 VAL HG23 H 1 0.965 0.001 . . . . . . 121 V QG2 . 16038 1 1236 . 1 1 121 121 VAL C C 13 176.510 0.001 . 1 . . . . 121 V C . 16038 1 1237 . 1 1 121 121 VAL CA C 13 64.140 0.001 . 1 . . . . 121 V CA . 16038 1 1238 . 1 1 121 121 VAL CB C 13 31.700 0.001 . 1 . . . . 121 V CB . 16038 1 1239 . 1 1 121 121 VAL N N 15 129.930 0.001 . 1 . . . . 121 V N . 16038 1 1240 . 1 1 122 122 MET H H 1 8.924 0.001 . 1 . . . . 122 M H . 16038 1 1241 . 1 1 122 122 MET HA H 1 4.419 0.001 . 1 . . . . 122 M HA . 16038 1 1242 . 1 1 122 122 MET HB2 H 1 1.954 0.001 . 2 . . . . 122 M HB2 . 16038 1 1243 . 1 1 122 122 MET HB3 H 1 1.954 0.001 . 2 . . . . 122 M HB3 . 16038 1 1244 . 1 1 122 122 MET HE1 H 1 1.569 0.001 . . . . . . 122 M QE . 16038 1 1245 . 1 1 122 122 MET HE2 H 1 1.569 0.001 . . . . . . 122 M QE . 16038 1 1246 . 1 1 122 122 MET HE3 H 1 1.569 0.001 . . . . . . 122 M QE . 16038 1 1247 . 1 1 122 122 MET HG2 H 1 2.354 0.001 . 2 . . . . 122 M HG2 . 16038 1 1248 . 1 1 122 122 MET HG3 H 1 2.354 0.001 . 2 . . . . 122 M HG3 . 16038 1 1249 . 1 1 122 122 MET C C 13 174.380 0.001 . 1 . . . . 122 M C . 16038 1 1250 . 1 1 122 122 MET CA C 13 55.740 0.001 . 1 . . . . 122 M CA . 16038 1 1251 . 1 1 122 122 MET CB C 13 35.140 0.001 . 1 . . . . 122 M CB . 16038 1 1252 . 1 1 122 122 MET N N 15 129.560 0.001 . 1 . . . . 122 M N . 16038 1 1253 . 1 1 123 123 GLN H H 1 9.002 0.001 . 1 . . . . 123 Q H . 16038 1 1254 . 1 1 123 123 GLN HA H 1 4.823 0.001 . 1 . . . . 123 Q HA . 16038 1 1255 . 1 1 123 123 GLN HB2 H 1 2.143 0.001 . 2 . . . . 123 Q HB2 . 16038 1 1256 . 1 1 123 123 GLN HB3 H 1 1.980 0.001 . 2 . . . . 123 Q HB3 . 16038 1 1257 . 1 1 123 123 GLN HE21 H 1 7.669 0.001 . 2 . . . . 123 Q HE21 . 16038 1 1258 . 1 1 123 123 GLN HE22 H 1 6.880 0.001 . 2 . . . . 123 Q HE22 . 16038 1 1259 . 1 1 123 123 GLN HG2 H 1 2.390 0.001 . 2 . . . . 123 Q HG2 . 16038 1 1260 . 1 1 123 123 GLN HG3 H 1 2.390 0.001 . 2 . . . . 123 Q HG3 . 16038 1 1261 . 1 1 123 123 GLN C C 13 175.530 0.001 . 1 . . . . 123 Q C . 16038 1 1262 . 1 1 123 123 GLN CA C 13 53.570 0.001 . 1 . . . . 123 Q CA . 16038 1 1263 . 1 1 123 123 GLN CB C 13 32.290 0.001 . 1 . . . . 123 Q CB . 16038 1 1264 . 1 1 123 123 GLN N N 15 119.810 0.001 . 1 . . . . 123 Q N . 16038 1 1265 . 1 1 123 123 GLN NE2 N 15 112.930 0.001 . 1 . . . . 123 Q NE2 . 16038 1 1266 . 1 1 124 124 THR H H 1 9.036 0.001 . 1 . . . . 124 T H . 16038 1 1267 . 1 1 124 124 THR HA H 1 4.208 0.001 . 1 . . . . 124 T HA . 16038 1 1268 . 1 1 124 124 THR HB H 1 4.122 0.001 . 1 . . . . 124 T HB . 16038 1 1269 . 1 1 124 124 THR HG21 H 1 1.323 0.001 . . . . . . 124 T QG2 . 16038 1 1270 . 1 1 124 124 THR HG22 H 1 1.323 0.001 . . . . . . 124 T QG2 . 16038 1 1271 . 1 1 124 124 THR HG23 H 1 1.323 0.001 . . . . . . 124 T QG2 . 16038 1 1272 . 1 1 124 124 THR C C 13 175.300 0.001 . 1 . . . . 124 T C . 16038 1 1273 . 1 1 124 124 THR CA C 13 65.510 0.001 . 1 . . . . 124 T CA . 16038 1 1274 . 1 1 124 124 THR CB C 13 69.560 0.001 . 1 . . . . 124 T CB . 16038 1 1275 . 1 1 124 124 THR N N 15 119.570 0.001 . 1 . . . . 124 T N . 16038 1 1276 . 1 1 125 125 GLY H H 1 9.921 0.001 . 1 . . . . 125 G H . 16038 1 1277 . 1 1 125 125 GLY HA2 H 1 4.552 0.001 . 2 . . . . 125 G HA2 . 16038 1 1278 . 1 1 125 125 GLY HA3 H 1 3.480 0.001 . 2 . . . . 125 G HA3 . 16038 1 1279 . 1 1 125 125 GLY C C 13 174.650 0.001 . 1 . . . . 125 G C . 16038 1 1280 . 1 1 125 125 GLY CA C 13 44.710 0.001 . 1 . . . . 125 G CA . 16038 1 1281 . 1 1 125 125 GLY N N 15 117.920 0.001 . 1 . . . . 125 G N . 16038 1 1282 . 1 1 126 126 ASP H H 1 8.638 0.001 . 1 . . . . 126 D H . 16038 1 1283 . 1 1 126 126 ASP HA H 1 4.876 0.001 . 1 . . . . 126 D HA . 16038 1 1284 . 1 1 126 126 ASP HB2 H 1 2.794 0.001 . 2 . . . . 126 D HB2 . 16038 1 1285 . 1 1 126 126 ASP HB3 H 1 2.342 0.001 . 2 . . . . 126 D HB3 . 16038 1 1286 . 1 1 126 126 ASP C C 13 174.650 0.001 . 1 . . . . 126 D C . 16038 1 1287 . 1 1 126 126 ASP CA C 13 56.140 0.001 . 1 . . . . 126 D CA . 16038 1 1288 . 1 1 126 126 ASP CB C 13 41.690 0.001 . 1 . . . . 126 D CB . 16038 1 1289 . 1 1 126 126 ASP N N 15 123.190 0.001 . 1 . . . . 126 D N . 16038 1 1290 . 1 1 127 127 GLU H H 1 8.316 0.001 . 1 . . . . 127 E H . 16038 1 1291 . 1 1 127 127 GLU HA H 1 5.341 0.001 . 1 . . . . 127 E HA . 16038 1 1292 . 1 1 127 127 GLU HB2 H 1 2.107 0.001 . 2 . . . . 127 E HB2 . 16038 1 1293 . 1 1 127 127 GLU HB3 H 1 1.990 0.001 . 2 . . . . 127 E HB3 . 16038 1 1294 . 1 1 127 127 GLU HG2 H 1 2.380 0.001 . 2 . . . . 127 E HG2 . 16038 1 1295 . 1 1 127 127 GLU HG3 H 1 2.380 0.001 . 2 . . . . 127 E HG3 . 16038 1 1296 . 1 1 127 127 GLU C C 13 175.990 0.001 . 1 . . . . 127 E C . 16038 1 1297 . 1 1 127 127 GLU CA C 13 54.440 0.001 . 1 . . . . 127 E CA . 16038 1 1298 . 1 1 127 127 GLU CB C 13 32.790 0.001 . 1 . . . . 127 E CB . 16038 1 1299 . 1 1 127 127 GLU N N 15 118.480 0.001 . 1 . . . . 127 E N . 16038 1 1300 . 1 1 128 128 ILE H H 1 9.910 0.001 . 1 . . . . 128 I H . 16038 1 1301 . 1 1 128 128 ILE HA H 1 5.334 0.001 . 1 . . . . 128 I HA . 16038 1 1302 . 1 1 128 128 ILE HB H 1 1.918 0.001 . 1 . . . . 128 I HB . 16038 1 1303 . 1 1 128 128 ILE HD11 H 1 0.822 0.001 . . . . . . 128 I QD1 . 16038 1 1304 . 1 1 128 128 ILE HD12 H 1 0.822 0.001 . . . . . . 128 I QD1 . 16038 1 1305 . 1 1 128 128 ILE HD13 H 1 0.822 0.001 . . . . . . 128 I QD1 . 16038 1 1306 . 1 1 128 128 ILE HG12 H 1 1.722 0.001 . 2 . . . . 128 I HG12 . 16038 1 1307 . 1 1 128 128 ILE HG13 H 1 1.467 0.001 . 2 . . . . 128 I HG13 . 16038 1 1308 . 1 1 128 128 ILE HG21 H 1 0.961 0.001 . . . . . . 128 I QG2 . 16038 1 1309 . 1 1 128 128 ILE HG22 H 1 0.961 0.001 . . . . . . 128 I QG2 . 16038 1 1310 . 1 1 128 128 ILE HG23 H 1 0.961 0.001 . . . . . . 128 I QG2 . 16038 1 1311 . 1 1 128 128 ILE C C 13 174.700 0.001 . 1 . . . . 128 I C . 16038 1 1312 . 1 1 128 128 ILE CA C 13 59.470 0.001 . 1 . . . . 128 I CA . 16038 1 1313 . 1 1 128 128 ILE CB C 13 40.600 0.001 . 1 . . . . 128 I CB . 16038 1 1314 . 1 1 128 128 ILE N N 15 128.810 0.001 . 1 . . . . 128 I N . 16038 1 1315 . 1 1 129 129 GLN H H 1 9.502 0.001 . 1 . . . . 129 Q H . 16038 1 1316 . 1 1 129 129 GLN HA H 1 5.406 0.001 . 1 . . . . 129 Q HA . 16038 1 1317 . 1 1 129 129 GLN HB2 H 1 2.149 0.001 . 2 . . . . 129 Q HB2 . 16038 1 1318 . 1 1 129 129 GLN HB3 H 1 2.009 0.001 . 2 . . . . 129 Q HB3 . 16038 1 1319 . 1 1 129 129 GLN HE21 H 1 7.663 0.001 . 2 . . . . 129 Q HE21 . 16038 1 1320 . 1 1 129 129 GLN HE22 H 1 6.640 0.001 . 2 . . . . 129 Q HE22 . 16038 1 1321 . 1 1 129 129 GLN HG2 H 1 2.433 0.001 . 2 . . . . 129 Q HG2 . 16038 1 1322 . 1 1 129 129 GLN HG3 H 1 2.317 0.001 . 2 . . . . 129 Q HG3 . 16038 1 1323 . 1 1 129 129 GLN C C 13 174.950 0.001 . 1 . . . . 129 Q C . 16038 1 1324 . 1 1 129 129 GLN CA C 13 54.800 0.001 . 1 . . . . 129 Q CA . 16038 1 1325 . 1 1 129 129 GLN CB C 13 30.690 0.001 . 1 . . . . 129 Q CB . 16038 1 1326 . 1 1 129 129 GLN N N 15 129.270 0.001 . 1 . . . . 129 Q N . 16038 1 1327 . 1 1 129 129 GLN NE2 N 15 110.830 0.001 . 1 . . . . 129 Q NE2 . 16038 1 1328 . 1 1 130 130 ILE H H 1 8.498 0.001 . 1 . . . . 130 I H . 16038 1 1329 . 1 1 130 130 ILE HA H 1 4.116 0.001 . 1 . . . . 130 I HA . 16038 1 1330 . 1 1 130 130 ILE HB H 1 2.033 0.001 . 1 . . . . 130 I HB . 16038 1 1331 . 1 1 130 130 ILE HD11 H 1 0.845 0.001 . . . . . . 130 I QD1 . 16038 1 1332 . 1 1 130 130 ILE HD12 H 1 0.845 0.001 . . . . . . 130 I QD1 . 16038 1 1333 . 1 1 130 130 ILE HD13 H 1 0.845 0.001 . . . . . . 130 I QD1 . 16038 1 1334 . 1 1 130 130 ILE HG12 H 1 1.719 0.001 . 2 . . . . 130 I HG12 . 16038 1 1335 . 1 1 130 130 ILE HG13 H 1 1.248 0.001 . 2 . . . . 130 I HG13 . 16038 1 1336 . 1 1 130 130 ILE HG21 H 1 -0.150 0.001 . . . . . . 130 I QG2 . 16038 1 1337 . 1 1 130 130 ILE HG22 H 1 -0.150 0.001 . . . . . . 130 I QG2 . 16038 1 1338 . 1 1 130 130 ILE HG23 H 1 -0.150 0.001 . . . . . . 130 I QG2 . 16038 1 1339 . 1 1 130 130 ILE C C 13 174.860 0.001 . 1 . . . . 130 I C . 16038 1 1340 . 1 1 130 130 ILE CA C 13 60.740 0.001 . 1 . . . . 130 I CA . 16038 1 1341 . 1 1 130 130 ILE CB C 13 41.440 0.001 . 1 . . . . 130 I CB . 16038 1 1342 . 1 1 130 130 ILE N N 15 129.070 0.001 . 1 . . . . 130 I N . 16038 1 1343 . 1 1 131 131 GLY H H 1 9.924 0.001 . 1 . . . . 131 G H . 16038 1 1344 . 1 1 131 131 GLY HA2 H 1 3.768 0.001 . 2 . . . . 131 G HA2 . 16038 1 1345 . 1 1 131 131 GLY HA3 H 1 3.337 0.001 . 2 . . . . 131 G HA3 . 16038 1 1346 . 1 1 131 131 GLY C C 13 174.590 0.001 . 1 . . . . 131 G C . 16038 1 1347 . 1 1 131 131 GLY CA C 13 46.700 0.001 . 1 . . . . 131 G CA . 16038 1 1348 . 1 1 131 131 GLY N N 15 116.470 0.001 . 1 . . . . 131 G N . 16038 1 1349 . 1 1 132 132 LYS H H 1 7.141 0.001 . 1 . . . . 132 K H . 16038 1 1350 . 1 1 132 132 LYS HA H 1 3.750 0.001 . 1 . . . . 132 K HA . 16038 1 1351 . 1 1 132 132 LYS HB2 H 1 1.466 0.001 . 2 . . . . 132 K HB2 . 16038 1 1352 . 1 1 132 132 LYS HB3 H 1 1.058 0.001 . 2 . . . . 132 K HB3 . 16038 1 1353 . 1 1 132 132 LYS HD2 H 1 1.336 0.001 . 2 . . . . 132 K QD . 16038 1 1354 . 1 1 132 132 LYS HD3 H 1 1.336 0.001 . 2 . . . . 132 K QD . 16038 1 1355 . 1 1 132 132 LYS HG2 H 1 0.948 0.001 . 2 . . . . 132 K HG2 . 16038 1 1356 . 1 1 132 132 LYS HG3 H 1 0.807 0.001 . 2 . . . . 132 K HG3 . 16038 1 1357 . 1 1 132 132 LYS C C 13 175.820 0.001 . 1 . . . . 132 K C . 16038 1 1358 . 1 1 132 132 LYS CA C 13 57.550 0.001 . 1 . . . . 132 K CA . 16038 1 1359 . 1 1 132 132 LYS CB C 13 33.300 0.001 . 1 . . . . 132 K CB . 16038 1 1360 . 1 1 132 132 LYS N N 15 122.960 0.001 . 1 . . . . 132 K N . 16038 1 1361 . 1 1 133 133 PHE H H 1 8.360 0.001 . 1 . . . . 133 F H . 16038 1 1362 . 1 1 133 133 PHE HA H 1 4.601 0.001 . 1 . . . . 133 F HA . 16038 1 1363 . 1 1 133 133 PHE HB2 H 1 3.464 0.001 . 2 . . . . 133 F HB2 . 16038 1 1364 . 1 1 133 133 PHE HB3 H 1 2.580 0.001 . 2 . . . . 133 F HB3 . 16038 1 1365 . 1 1 133 133 PHE HD1 H 1 7.296 0.001 . 3 . . . . 133 F QD . 16038 1 1366 . 1 1 133 133 PHE HD2 H 1 7.296 0.001 . 3 . . . . 133 F QD . 16038 1 1367 . 1 1 133 133 PHE HE1 H 1 7.215 0.001 . 3 . . . . 133 F QE . 16038 1 1368 . 1 1 133 133 PHE HE2 H 1 7.215 0.001 . 3 . . . . 133 F QE . 16038 1 1369 . 1 1 133 133 PHE HZ H 1 7.002 0.001 . 1 . . . . 133 F HZ . 16038 1 1370 . 1 1 133 133 PHE C C 13 174.910 0.001 . 1 . . . . 133 F C . 16038 1 1371 . 1 1 133 133 PHE CA C 13 58.600 0.001 . 1 . . . . 133 F CA . 16038 1 1372 . 1 1 133 133 PHE CB C 13 40.510 0.001 . 1 . . . . 133 F CB . 16038 1 1373 . 1 1 133 133 PHE N N 15 118.170 0.001 . 1 . . . . 133 F N . 16038 1 1374 . 1 1 134 134 ARG H H 1 8.698 0.001 . 1 . . . . 134 R H . 16038 1 1375 . 1 1 134 134 ARG HA H 1 5.212 0.001 . 1 . . . . 134 R HA . 16038 1 1376 . 1 1 134 134 ARG HB2 H 1 2.002 0.001 . 2 . . . . 134 R HB2 . 16038 1 1377 . 1 1 134 134 ARG HB3 H 1 1.909 0.001 . 2 . . . . 134 R HB3 . 16038 1 1378 . 1 1 134 134 ARG HD2 H 1 3.196 0.001 . 2 . . . . 134 R HD2 . 16038 1 1379 . 1 1 134 134 ARG HD3 H 1 3.196 0.001 . 2 . . . . 134 R HD3 . 16038 1 1380 . 1 1 134 134 ARG HE H 1 7.362 0.001 . 1 . . . . 134 R HE . 16038 1 1381 . 1 1 134 134 ARG HG2 H 1 1.720 0.001 . 2 . . . . 134 R HG2 . 16038 1 1382 . 1 1 134 134 ARG HG3 H 1 1.720 0.001 . 2 . . . . 134 R HG3 . 16038 1 1383 . 1 1 134 134 ARG C C 13 175.150 0.001 . 1 . . . . 134 R C . 16038 1 1384 . 1 1 134 134 ARG CA C 13 55.060 0.001 . 1 . . . . 134 R CA . 16038 1 1385 . 1 1 134 134 ARG CB C 13 33.550 0.001 . 1 . . . . 134 R CB . 16038 1 1386 . 1 1 134 134 ARG N N 15 120.770 0.001 . 1 . . . . 134 R N . 16038 1 1387 . 1 1 134 134 ARG NE N 15 84.140 0.001 . 1 . . . . 134 R NE . 16038 1 1388 . 1 1 135 135 LEU H H 1 9.904 0.001 . 1 . . . . 135 L H . 16038 1 1389 . 1 1 135 135 LEU HA H 1 5.544 0.001 . 1 . . . . 135 L HA . 16038 1 1390 . 1 1 135 135 LEU HB2 H 1 1.699 0.001 . 2 . . . . 135 L HB2 . 16038 1 1391 . 1 1 135 135 LEU HB3 H 1 1.699 0.001 . 2 . . . . 135 L HB3 . 16038 1 1392 . 1 1 135 135 LEU HD11 H 1 0.964 0.001 . . . . . . 135 L QD1 . 16038 1 1393 . 1 1 135 135 LEU HD12 H 1 0.964 0.001 . . . . . . 135 L QD1 . 16038 1 1394 . 1 1 135 135 LEU HD13 H 1 0.964 0.001 . . . . . . 135 L QD1 . 16038 1 1395 . 1 1 135 135 LEU HD21 H 1 0.822 0.001 . . . . . . 135 L QD2 . 16038 1 1396 . 1 1 135 135 LEU HD22 H 1 0.822 0.001 . . . . . . 135 L QD2 . 16038 1 1397 . 1 1 135 135 LEU HD23 H 1 0.822 0.001 . . . . . . 135 L QD2 . 16038 1 1398 . 1 1 135 135 LEU HG H 1 1.511 0.001 . 1 . . . . 135 L HG . 16038 1 1399 . 1 1 135 135 LEU C C 13 175.260 0.001 . 1 . . . . 135 L C . 16038 1 1400 . 1 1 135 135 LEU CA C 13 53.930 0.001 . 1 . . . . 135 L CA . 16038 1 1401 . 1 1 135 135 LEU CB C 13 45.550 0.001 . 1 . . . . 135 L CB . 16038 1 1402 . 1 1 135 135 LEU N N 15 127.130 0.001 . 1 . . . . 135 L N . 16038 1 1403 . 1 1 136 136 VAL H H 1 9.350 0.001 . 1 . . . . 136 V H . 16038 1 1404 . 1 1 136 136 VAL HA H 1 5.226 0.001 . 1 . . . . 136 V HA . 16038 1 1405 . 1 1 136 136 VAL HB H 1 1.824 0.001 . 1 . . . . 136 V HB . 16038 1 1406 . 1 1 136 136 VAL HG11 H 1 0.940 0.001 . . . . . . 136 V QG1 . 16038 1 1407 . 1 1 136 136 VAL HG12 H 1 0.940 0.001 . . . . . . 136 V QG1 . 16038 1 1408 . 1 1 136 136 VAL HG13 H 1 0.940 0.001 . . . . . . 136 V QG1 . 16038 1 1409 . 1 1 136 136 VAL HG21 H 1 0.940 0.001 . . . . . . 136 V QG2 . 16038 1 1410 . 1 1 136 136 VAL HG22 H 1 0.940 0.001 . . . . . . 136 V QG2 . 16038 1 1411 . 1 1 136 136 VAL HG23 H 1 0.940 0.001 . . . . . . 136 V QG2 . 16038 1 1412 . 1 1 136 136 VAL C C 13 174.050 0.001 . 1 . . . . 136 V C . 16038 1 1413 . 1 1 136 136 VAL CA C 13 60.520 0.001 . 1 . . . . 136 V CA . 16038 1 1414 . 1 1 136 136 VAL CB C 13 34.890 0.001 . 1 . . . . 136 V CB . 16038 1 1415 . 1 1 136 136 VAL N N 15 121.300 0.001 . 1 . . . . 136 V N . 16038 1 1416 . 1 1 137 137 PHE H H 1 8.492 0.001 . 1 . . . . 137 F H . 16038 1 1417 . 1 1 137 137 PHE HA H 1 5.007 0.001 . 1 . . . . 137 F HA . 16038 1 1418 . 1 1 137 137 PHE HB2 H 1 2.906 0.001 . 2 . . . . 137 F HB2 . 16038 1 1419 . 1 1 137 137 PHE HB3 H 1 2.834 0.001 . 2 . . . . 137 F HB3 . 16038 1 1420 . 1 1 137 137 PHE HD1 H 1 6.798 0.001 . 3 . . . . 137 F QD . 16038 1 1421 . 1 1 137 137 PHE HD2 H 1 6.798 0.001 . 3 . . . . 137 F QD . 16038 1 1422 . 1 1 137 137 PHE HE1 H 1 6.651 0.001 . 3 . . . . 137 F QE . 16038 1 1423 . 1 1 137 137 PHE HE2 H 1 6.651 0.001 . 3 . . . . 137 F QE . 16038 1 1424 . 1 1 137 137 PHE C C 13 173.340 0.001 . 1 . . . . 137 F C . 16038 1 1425 . 1 1 137 137 PHE CA C 13 57.010 0.001 . 1 . . . . 137 F CA . 16038 1 1426 . 1 1 137 137 PHE CB C 13 41.770 0.001 . 1 . . . . 137 F CB . 16038 1 1427 . 1 1 137 137 PHE N N 15 127.550 0.001 . 1 . . . . 137 F N . 16038 1 1428 . 1 1 138 138 LEU H H 1 8.535 0.001 . 1 . . . . 138 L H . 16038 1 1429 . 1 1 138 138 LEU HA H 1 4.345 0.001 . 1 . . . . 138 L HA . 16038 1 1430 . 1 1 138 138 LEU HB2 H 1 1.372 0.001 . 2 . . . . 138 L HB2 . 16038 1 1431 . 1 1 138 138 LEU HB3 H 1 1.372 0.001 . 2 . . . . 138 L HB3 . 16038 1 1432 . 1 1 138 138 LEU HD11 H 1 0.783 0.001 . . . . . . 138 L QD1 . 16038 1 1433 . 1 1 138 138 LEU HD12 H 1 0.783 0.001 . . . . . . 138 L QD1 . 16038 1 1434 . 1 1 138 138 LEU HD13 H 1 0.783 0.001 . . . . . . 138 L QD1 . 16038 1 1435 . 1 1 138 138 LEU HD21 H 1 0.673 0.001 . . . . . . 138 L QD2 . 16038 1 1436 . 1 1 138 138 LEU HD22 H 1 0.673 0.001 . . . . . . 138 L QD2 . 16038 1 1437 . 1 1 138 138 LEU HD23 H 1 0.673 0.001 . . . . . . 138 L QD2 . 16038 1 1438 . 1 1 138 138 LEU HG H 1 1.131 0.001 . 1 . . . . 138 L HG . 16038 1 1439 . 1 1 138 138 LEU C C 13 173.390 0.001 . 1 . . . . 138 L C . 16038 1 1440 . 1 1 138 138 LEU CA C 13 53.680 0.001 . 1 . . . . 138 L CA . 16038 1 1441 . 1 1 138 138 LEU CB C 13 45.210 0.001 . 1 . . . . 138 L CB . 16038 1 1442 . 1 1 138 138 LEU N N 15 128.590 0.001 . 1 . . . . 138 L N . 16038 1 1443 . 1 1 139 139 ALA H H 1 7.502 0.001 . 1 . . . . 139 A H . 16038 1 1444 . 1 1 139 139 ALA HA H 1 3.952 0.001 . 1 . . . . 139 A HA . 16038 1 1445 . 1 1 139 139 ALA HB1 H 1 1.321 0.001 . . . . . . 139 A QB . 16038 1 1446 . 1 1 139 139 ALA HB2 H 1 1.321 0.001 . . . . . . 139 A QB . 16038 1 1447 . 1 1 139 139 ALA HB3 H 1 1.321 0.001 . . . . . . 139 A QB . 16038 1 1448 . 1 1 139 139 ALA C C 13 178.010 0.001 . 1 . . . . 139 A C . 16038 1 1449 . 1 1 139 139 ALA CA C 13 51.650 0.001 . 1 . . . . 139 A CA . 16038 1 1450 . 1 1 139 139 ALA CB C 13 20.700 0.001 . 1 . . . . 139 A CB . 16038 1 1451 . 1 1 139 139 ALA N N 15 123.250 0.001 . 1 . . . . 139 A N . 16038 1 1452 . 1 1 140 140 GLY H H 1 7.968 0.001 . 1 . . . . 140 G H . 16038 1 1453 . 1 1 140 140 GLY HA2 H 1 4.202 0.001 . 2 . . . . 140 G HA2 . 16038 1 1454 . 1 1 140 140 GLY HA3 H 1 3.595 0.001 . 2 . . . . 140 G HA3 . 16038 1 1455 . 1 1 140 140 GLY C C 13 171.240 0.001 . 1 . . . . 140 G C . 16038 1 1456 . 1 1 140 140 GLY CA C 13 44.710 0.001 . 1 . . . . 140 G CA . 16038 1 1457 . 1 1 140 140 GLY N N 15 108.040 0.001 . 1 . . . . 140 G N . 16038 1 1458 . 1 1 141 141 PRO HA H 1 4.460 0.001 . 1 . . . . 141 P HA . 16038 1 1459 . 1 1 141 141 PRO HB2 H 1 2.321 0.001 . 2 . . . . 141 P HB2 . 16038 1 1460 . 1 1 141 141 PRO HB3 H 1 1.966 0.001 . 2 . . . . 141 P HB3 . 16038 1 1461 . 1 1 141 141 PRO HD2 H 1 3.371 0.001 . 2 . . . . 141 P HD2 . 16038 1 1462 . 1 1 141 141 PRO HD3 H 1 3.371 0.001 . 2 . . . . 141 P HD3 . 16038 1 1463 . 1 1 141 141 PRO C C 13 176.150 0.001 . 1 . . . . 141 P C . 16038 1 1464 . 1 1 141 141 PRO CA C 13 63.230 0.001 . 1 . . . . 141 P CA . 16038 1 1465 . 1 1 141 141 PRO CB C 13 32.370 0.001 . 1 . . . . 141 P CB . 16038 1 1466 . 1 1 142 142 ALA H H 1 8.496 0.001 . 1 . . . . 142 A H . 16038 1 1467 . 1 1 142 142 ALA HA H 1 4.363 0.001 . 1 . . . . 142 A HA . 16038 1 1468 . 1 1 142 142 ALA HB1 H 1 1.455 0.001 . . . . . . 142 A QB . 16038 1 1469 . 1 1 142 142 ALA HB2 H 1 1.455 0.001 . . . . . . 142 A QB . 16038 1 1470 . 1 1 142 142 ALA HB3 H 1 1.455 0.001 . . . . . . 142 A QB . 16038 1 1471 . 1 1 142 142 ALA C C 13 177.320 0.001 . 1 . . . . 142 A C . 16038 1 1472 . 1 1 142 142 ALA CA C 13 52.740 0.001 . 1 . . . . 142 A CA . 16038 1 1473 . 1 1 142 142 ALA CB C 13 19.780 0.001 . 1 . . . . 142 A CB . 16038 1 1474 . 1 1 142 142 ALA N N 15 124.080 0.001 . 1 . . . . 142 A N . 16038 1 1475 . 1 1 143 143 GLU H H 1 7.932 0.001 . 1 . . . . 143 E H . 16038 1 1476 . 1 1 143 143 GLU HA H 1 4.055 0.001 . 1 . . . . 143 E HA . 16038 1 1477 . 1 1 143 143 GLU HB2 H 1 2.004 0.001 . 2 . . . . 143 E HB2 . 16038 1 1478 . 1 1 143 143 GLU HB3 H 1 1.868 0.001 . 2 . . . . 143 E HB3 . 16038 1 1479 . 1 1 143 143 GLU HG2 H 1 2.134 0.001 . 2 . . . . 143 E HG2 . 16038 1 1480 . 1 1 143 143 GLU HG3 H 1 2.134 0.001 . 2 . . . . 143 E HG3 . 16038 1 1481 . 1 1 143 143 GLU C C 13 180.650 0.001 . 1 . . . . 143 E C . 16038 1 1482 . 1 1 143 143 GLU CA C 13 57.840 0.001 . 1 . . . . 143 E CA . 16038 1 1483 . 1 1 143 143 GLU N N 15 123.160 0.001 . 1 . . . . 143 E N . 16038 1 stop_ save_