data_5532 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5532 _Entry.Title ; Structure of the Tsg101 UEV Domain in Complex with a HIV-1 PTAP "Late Domain" Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-09-13 _Entry.Accession_date 2002-09-13 _Entry.Last_release_date 2003-02-21 _Entry.Original_release_date 2003-02-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 O. Pornillos . . . 5532 2 S. Alam . L. . 5532 3 D. Davis . R. . 5532 4 W. Sundquist . I. . 5532 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5532 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1059 5532 '13C chemical shifts' 646 5532 '15N chemical shifts' 147 5532 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 1 . . 2003-02-21 2002-09-13 original author . 5532 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5532 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22289677 _Citation.DOI . _Citation.PubMed_ID 12379843 _Citation.Full_citation . _Citation.Title ; Structure of the Tsg101 UEV Domain in Complex with the PTAP Motif of the HIV-1 p6 Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 11 _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 812 _Citation.Page_last 817 _Citation.Year 2002 _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 O. Pornillos . . . 5532 1 2 S. Alam . L. . 5532 1 3 D. Davis . R. . 5532 1 4 W. Sundquist . I. . 5532 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Tsg101 UEV domain' 5532 1 'virus budding' 5532 1 'vacuolar protein sorting' 5532 1 'late domain' 5532 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TSG101_Gag _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TSG101_Gag _Assembly.Entry_ID 5532 _Assembly.ID 1 _Assembly.Name 'Tumor Susceptibility gene 101 protein/Gag Polyprotein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5532 1 stop_ 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 'Tumor Susceptibility gene 101 protein' 1 $TSG101 . . . native . . . . . 5532 1 2 'Gag Polyprotein' 2 $Gag . . . native . . . . . 5532 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1M4P . . . . . . 5532 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Tumor Susceptibility gene 101 protein/Gag Polyprotein' system 5532 1 'Tumor Susceptibility gene 101 protein/Gag Polyprotein' abbreviation 5532 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TSG101 _Entity.Sf_category entity _Entity.Sf_framecode TSG101 _Entity.Entry_ID 5532 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tumor Susceptibility gene 101 protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAVSESQLKKMVSKYKYRDL TVRETVNVITLYKDLKPVLD SYVFNDGSSRELMNLTGTIP VPYRGNTYNIPICLWLLDTY PYNPPICFVKPTSSMTIKTG KHVDANGKIYLPYLHEWKHP QSDLLGLIQVMIVVFGDEPP VFSRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q99816 . 'Tumor susceptibility gene 101 protein' . . . . . 100.00 390 100.00 100.00 4.53e-81 . . . . 5532 1 . . REF XP_508319 . 'PREDICTED: tumor susceptibility gene 101 isoform 2 [Pan troglodytes]' . . . . . 100.00 403 100.00 100.00 1.34e-80 . . . . 5532 1 . . REF XP_001505015 . 'PREDICTED: tumor susceptibility gene 101 [Equus caballus]' . . . . . 100.00 390 98.62 99.31 3.53e-80 . . . . 5532 1 . . REF XP_001173373 . 'PREDICTED: tumor susceptibility gene 101 isoform 1 [Pan troglodytes]' . . . . . 100.00 390 100.00 100.00 4.53e-81 . . . . 5532 1 . . REF NP_006283 . 'tumor susceptibility gene 101 [Homo sapiens]' . . . . . 100.00 390 100.00 100.00 4.53e-81 . . . . 5532 1 . . REF NP_001091464 . 'tumor susceptibility gene 101 [Bos taurus]' . . . . . 100.00 391 98.62 99.31 3.11e-80 . . . . 5532 1 . . GenBank AAX36281 . 'tumor susceptibility gene 101 [synthetic construct]' . . . . . 100.00 390 99.31 99.31 1.98e-80 . . . . 5532 1 . . GenBank AAX32198 . 'tumor susceptibility gene 101 [synthetic construct]' . . . . . 100.00 390 100.00 100.00 4.88e-81 . . . . 5532 1 . . GenBank AAI33616 . 'TSG101 protein [Bos taurus]' . . . . . 100.00 391 98.62 99.31 3.11e-80 . . . . 5532 1 . . GenBank AAH02487 . 'Tumor susceptibility gene 101 [Homo sapiens]' . . . . . 100.00 390 100.00 100.00 4.88e-81 . . . . 5532 1 . . GenBank AAC52083 . 'tumor susceptibility protein [Homo sapiens]' . . . . . 100.00 390 100.00 100.00 4.53e-81 . . . . 5532 1 . . EMBL CAH90615 . 'hypothetical protein [Pongo abelii]' . . . . . 100.00 365 100.00 100.00 1.06e-80 . . . . 5532 1 . . PDB 2F0R . 'Crystallographic Structure Of Human Tsg101 Uev Domain' . . . . . 100.00 159 100.00 100.00 6.12e-80 . . . . 5532 1 . . PDB 1M4Q . 'Structure Of The Tsg101 Uev Domain In Complex With A Hiv-1 Ptap "late Domain" Peptide, Cns Ensemble' . . . . . 100.00 145 100.00 100.00 1.07e-79 . . . . 5532 1 . . PDB 1M4P . 'Structure Of The Tsg101 Uev Domain In Complex With A Hiv-1 Ptap "late Domain" Peptide, Dyana Ensemble' . . . . . 100.00 145 100.00 100.00 1.07e-79 . . . . 5532 1 . . PDB 1KPQ . 'Structure Of The Tsg101 Uev Domain' . . . . . 100.00 145 100.00 100.00 1.07e-79 . . . . 5532 1 . . PDB 1KPP . 'Structure Of The Tsg101 Uev Domain' . . . . . 100.00 145 100.00 100.00 1.07e-79 . . . . 5532 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tumor Susceptibility gene 101 protein' common 5532 1 'Tumor Susceptibility gene 101 protein' abbreviation 5532 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 . 5532 1 2 . ALA . 5532 1 3 . VAL . 5532 1 4 . SER . 5532 1 5 . GLU . 5532 1 6 . SER . 5532 1 7 . GLN . 5532 1 8 . LEU . 5532 1 9 . LYS . 5532 1 10 . LYS . 5532 1 11 . MET . 5532 1 12 . VAL . 5532 1 13 . SER . 5532 1 14 . LYS . 5532 1 15 . TYR . 5532 1 16 . LYS . 5532 1 17 . TYR . 5532 1 18 . ARG . 5532 1 19 . ASP . 5532 1 20 . LEU . 5532 1 21 . THR . 5532 1 22 . VAL . 5532 1 23 . ARG . 5532 1 24 . GLU . 5532 1 25 . THR . 5532 1 26 . VAL . 5532 1 27 . ASN . 5532 1 28 . VAL . 5532 1 29 . ILE . 5532 1 30 . THR . 5532 1 31 . LEU . 5532 1 32 . TYR . 5532 1 33 . LYS . 5532 1 34 . ASP . 5532 1 35 . LEU . 5532 1 36 . LYS . 5532 1 37 . PRO . 5532 1 38 . VAL . 5532 1 39 . LEU . 5532 1 40 . ASP . 5532 1 41 . SER . 5532 1 42 . TYR . 5532 1 43 . VAL . 5532 1 44 . PHE . 5532 1 45 . ASN . 5532 1 46 . ASP . 5532 1 47 . GLY . 5532 1 48 . SER . 5532 1 49 . SER . 5532 1 50 . ARG . 5532 1 51 . GLU . 5532 1 52 . LEU . 5532 1 53 . MET . 5532 1 54 . ASN . 5532 1 55 . LEU . 5532 1 56 . THR . 5532 1 57 . GLY . 5532 1 58 . THR . 5532 1 59 . ILE . 5532 1 60 . PRO . 5532 1 61 . VAL . 5532 1 62 . PRO . 5532 1 63 . TYR . 5532 1 64 . ARG . 5532 1 65 . GLY . 5532 1 66 . ASN . 5532 1 67 . THR . 5532 1 68 . TYR . 5532 1 69 . ASN . 5532 1 70 . ILE . 5532 1 71 . PRO . 5532 1 72 . ILE . 5532 1 73 . CYS . 5532 1 74 . LEU . 5532 1 75 . TRP . 5532 1 76 . LEU . 5532 1 77 . LEU . 5532 1 78 . ASP . 5532 1 79 . THR . 5532 1 80 . TYR . 5532 1 81 . PRO . 5532 1 82 . TYR . 5532 1 83 . ASN . 5532 1 84 . PRO . 5532 1 85 . PRO . 5532 1 86 . ILE . 5532 1 87 . CYS . 5532 1 88 . PHE . 5532 1 89 . VAL . 5532 1 90 . LYS . 5532 1 91 . PRO . 5532 1 92 . THR . 5532 1 93 . SER . 5532 1 94 . SER . 5532 1 95 . MET . 5532 1 96 . THR . 5532 1 97 . ILE . 5532 1 98 . LYS . 5532 1 99 . THR . 5532 1 100 . GLY . 5532 1 101 . LYS . 5532 1 102 . HIS . 5532 1 103 . VAL . 5532 1 104 . ASP . 5532 1 105 . ALA . 5532 1 106 . ASN . 5532 1 107 . GLY . 5532 1 108 . LYS . 5532 1 109 . ILE . 5532 1 110 . TYR . 5532 1 111 . LEU . 5532 1 112 . PRO . 5532 1 113 . TYR . 5532 1 114 . LEU . 5532 1 115 . HIS . 5532 1 116 . GLU . 5532 1 117 . TRP . 5532 1 118 . LYS . 5532 1 119 . HIS . 5532 1 120 . PRO . 5532 1 121 . GLN . 5532 1 122 . SER . 5532 1 123 . ASP . 5532 1 124 . LEU . 5532 1 125 . LEU . 5532 1 126 . GLY . 5532 1 127 . LEU . 5532 1 128 . ILE . 5532 1 129 . GLN . 5532 1 130 . VAL . 5532 1 131 . MET . 5532 1 132 . ILE . 5532 1 133 . VAL . 5532 1 134 . VAL . 5532 1 135 . PHE . 5532 1 136 . GLY . 5532 1 137 . ASP . 5532 1 138 . GLU . 5532 1 139 . PRO . 5532 1 140 . PRO . 5532 1 141 . VAL . 5532 1 142 . PHE . 5532 1 143 . SER . 5532 1 144 . ARG . 5532 1 145 . PRO . 5532 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 5532 1 . ALA 2 2 5532 1 . VAL 3 3 5532 1 . SER 4 4 5532 1 . GLU 5 5 5532 1 . SER 6 6 5532 1 . GLN 7 7 5532 1 . LEU 8 8 5532 1 . LYS 9 9 5532 1 . LYS 10 10 5532 1 . MET 11 11 5532 1 . VAL 12 12 5532 1 . SER 13 13 5532 1 . LYS 14 14 5532 1 . TYR 15 15 5532 1 . LYS 16 16 5532 1 . TYR 17 17 5532 1 . ARG 18 18 5532 1 . ASP 19 19 5532 1 . LEU 20 20 5532 1 . THR 21 21 5532 1 . VAL 22 22 5532 1 . ARG 23 23 5532 1 . GLU 24 24 5532 1 . THR 25 25 5532 1 . VAL 26 26 5532 1 . ASN 27 27 5532 1 . VAL 28 28 5532 1 . ILE 29 29 5532 1 . THR 30 30 5532 1 . LEU 31 31 5532 1 . TYR 32 32 5532 1 . LYS 33 33 5532 1 . ASP 34 34 5532 1 . LEU 35 35 5532 1 . LYS 36 36 5532 1 . PRO 37 37 5532 1 . VAL 38 38 5532 1 . LEU 39 39 5532 1 . ASP 40 40 5532 1 . SER 41 41 5532 1 . TYR 42 42 5532 1 . VAL 43 43 5532 1 . PHE 44 44 5532 1 . ASN 45 45 5532 1 . ASP 46 46 5532 1 . GLY 47 47 5532 1 . SER 48 48 5532 1 . SER 49 49 5532 1 . ARG 50 50 5532 1 . GLU 51 51 5532 1 . LEU 52 52 5532 1 . MET 53 53 5532 1 . ASN 54 54 5532 1 . LEU 55 55 5532 1 . THR 56 56 5532 1 . GLY 57 57 5532 1 . THR 58 58 5532 1 . ILE 59 59 5532 1 . PRO 60 60 5532 1 . VAL 61 61 5532 1 . PRO 62 62 5532 1 . TYR 63 63 5532 1 . ARG 64 64 5532 1 . GLY 65 65 5532 1 . ASN 66 66 5532 1 . THR 67 67 5532 1 . TYR 68 68 5532 1 . ASN 69 69 5532 1 . ILE 70 70 5532 1 . PRO 71 71 5532 1 . ILE 72 72 5532 1 . CYS 73 73 5532 1 . LEU 74 74 5532 1 . TRP 75 75 5532 1 . LEU 76 76 5532 1 . LEU 77 77 5532 1 . ASP 78 78 5532 1 . THR 79 79 5532 1 . TYR 80 80 5532 1 . PRO 81 81 5532 1 . TYR 82 82 5532 1 . ASN 83 83 5532 1 . PRO 84 84 5532 1 . PRO 85 85 5532 1 . ILE 86 86 5532 1 . CYS 87 87 5532 1 . PHE 88 88 5532 1 . VAL 89 89 5532 1 . LYS 90 90 5532 1 . PRO 91 91 5532 1 . THR 92 92 5532 1 . SER 93 93 5532 1 . SER 94 94 5532 1 . MET 95 95 5532 1 . THR 96 96 5532 1 . ILE 97 97 5532 1 . LYS 98 98 5532 1 . THR 99 99 5532 1 . GLY 100 100 5532 1 . LYS 101 101 5532 1 . HIS 102 102 5532 1 . VAL 103 103 5532 1 . ASP 104 104 5532 1 . ALA 105 105 5532 1 . ASN 106 106 5532 1 . GLY 107 107 5532 1 . LYS 108 108 5532 1 . ILE 109 109 5532 1 . TYR 110 110 5532 1 . LEU 111 111 5532 1 . PRO 112 112 5532 1 . TYR 113 113 5532 1 . LEU 114 114 5532 1 . HIS 115 115 5532 1 . GLU 116 116 5532 1 . TRP 117 117 5532 1 . LYS 118 118 5532 1 . HIS 119 119 5532 1 . PRO 120 120 5532 1 . GLN 121 121 5532 1 . SER 122 122 5532 1 . ASP 123 123 5532 1 . LEU 124 124 5532 1 . LEU 125 125 5532 1 . GLY 126 126 5532 1 . LEU 127 127 5532 1 . ILE 128 128 5532 1 . GLN 129 129 5532 1 . VAL 130 130 5532 1 . MET 131 131 5532 1 . ILE 132 132 5532 1 . VAL 133 133 5532 1 . VAL 134 134 5532 1 . PHE 135 135 5532 1 . GLY 136 136 5532 1 . ASP 137 137 5532 1 . GLU 138 138 5532 1 . PRO 139 139 5532 1 . PRO 140 140 5532 1 . VAL 141 141 5532 1 . PHE 142 142 5532 1 . SER 143 143 5532 1 . ARG 144 144 5532 1 . PRO 145 145 5532 1 stop_ save_ save_Gag _Entity.Sf_category entity _Entity.Sf_framecode Gag _Entity.Entry_ID 5532 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Gag _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code PEPTAPPEE _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Gag common 5532 2 Gag abbreviation 5532 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PRO . 5532 2 2 . GLU . 5532 2 3 . PRO . 5532 2 4 . THR . 5532 2 5 . ALA . 5532 2 6 . PRO . 5532 2 7 . PRO . 5532 2 8 . GLU . 5532 2 9 . GLU . 5532 2 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 . PRO 1 1 5532 2 . GLU 2 2 5532 2 . PRO 3 3 5532 2 . THR 4 4 5532 2 . ALA 5 5 5532 2 . PRO 6 6 5532 2 . PRO 7 7 5532 2 . GLU 8 8 5532 2 . GLU 9 9 5532 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5532 _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 $TSG101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 2 2 $Gag . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 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 5532 _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 $TSG101 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 2 2 $Gag . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5532 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Tumor Susceptibility gene 101 protein' . . . 1 $TSG101 . . 1.5 . . mM . . . . 5532 1 2 Gag . . . 2 $Gag . . 1.5 . . mM . . . . 5532 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5532 _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 pH 5.5 . n/a 5532 1 temperature 291 . K 5532 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5532 _Software.ID 1 _Software.Name DYANA _Software.Version 1.2 _Software.Details 'Guntert, P., Mumenthaler, C. & Wuthrich, K.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5532 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5532 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5532 _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 NMR_spectrometer Varian INOVA . 600 . . . 5532 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 5532 _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 '15N/1H FHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 4 '13C/1H CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 5 '3D 15N-edited TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 6 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 7 (H)C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 8 '3D 13C-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 9 '3D 15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 11 'F1-edited/F2-filtered NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5532 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N/1H FHSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '13C/1H CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N-edited TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 13C-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5532 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'F1-edited/F2-filtered NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5532 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5532 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5532 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5532 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5532 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5532 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 2 2 ALA C C 13 177.136 0.000 . 1 . . . . . . . . 5532 1 2 . 1 1 2 2 ALA CA C 13 51.482 0.024 . 1 . . . . . . . . 5532 1 3 . 1 1 2 2 ALA CB C 13 19.392 0.019 . 1 . . . . . . . . 5532 1 4 . 1 1 2 2 ALA HA H 1 4.125 0.007 . 1 . . . . . . . . 5532 1 5 . 1 1 2 2 ALA H H 1 8.455 0.008 . 1 . . . . . . . . 5532 1 6 . 1 1 2 2 ALA N N 15 120.606 0.055 . 1 . . . . . . . . 5532 1 7 . 1 1 2 2 ALA HB1 H 1 1.454 0.004 . 1 . . . . . . . . 5532 1 8 . 1 1 2 2 ALA HB2 H 1 1.454 0.004 . 1 . . . . . . . . 5532 1 9 . 1 1 2 2 ALA HB3 H 1 1.454 0.004 . 1 . . . . . . . . 5532 1 10 . 1 1 3 3 VAL C C 13 174.762 0.000 . 1 . . . . . . . . 5532 1 11 . 1 1 3 3 VAL CA C 13 61.843 0.022 . 1 . . . . . . . . 5532 1 12 . 1 1 3 3 VAL CB C 13 32.739 0.037 . 1 . . . . . . . . 5532 1 13 . 1 1 3 3 VAL CG1 C 13 21.054 0.002 . 1 . . . . . . . . 5532 1 14 . 1 1 3 3 VAL CG2 C 13 21.162 0.056 . 1 . . . . . . . . 5532 1 15 . 1 1 3 3 VAL HA H 1 4.162 0.011 . 1 . . . . . . . . 5532 1 16 . 1 1 3 3 VAL HB H 1 1.892 0.006 . 1 . . . . . . . . 5532 1 17 . 1 1 3 3 VAL H H 1 7.906 0.010 . 1 . . . . . . . . 5532 1 18 . 1 1 3 3 VAL N N 15 118.836 0.047 . 1 . . . . . . . . 5532 1 19 . 1 1 3 3 VAL HG11 H 1 0.919 0.001 . 1 . . . . . . . . 5532 1 20 . 1 1 3 3 VAL HG12 H 1 0.919 0.001 . 1 . . . . . . . . 5532 1 21 . 1 1 3 3 VAL HG13 H 1 0.919 0.001 . 1 . . . . . . . . 5532 1 22 . 1 1 3 3 VAL HG21 H 1 0.874 0.019 . 1 . . . . . . . . 5532 1 23 . 1 1 3 3 VAL HG22 H 1 0.874 0.019 . 1 . . . . . . . . 5532 1 24 . 1 1 3 3 VAL HG23 H 1 0.874 0.019 . 1 . . . . . . . . 5532 1 25 . 1 1 4 4 SER C C 13 175.106 0.000 . 1 . . . . . . . . 5532 1 26 . 1 1 4 4 SER CA C 13 56.586 0.023 . 1 . . . . . . . . 5532 1 27 . 1 1 4 4 SER CB C 13 65.093 0.041 . 1 . . . . . . . . 5532 1 28 . 1 1 4 4 SER HA H 1 4.528 0.005 . 1 . . . . . . . . 5532 1 29 . 1 1 4 4 SER HB2 H 1 3.908 0.006 . 1 . . . . . . . . 5532 1 30 . 1 1 4 4 SER HB3 H 1 4.217 0.004 . 1 . . . . . . . . 5532 1 31 . 1 1 4 4 SER H H 1 8.430 0.012 . 1 . . . . . . . . 5532 1 32 . 1 1 4 4 SER N N 15 121.260 0.036 . 1 . . . . . . . . 5532 1 33 . 1 1 5 5 GLU C C 13 178.068 0.000 . 1 . . . . . . . . 5532 1 34 . 1 1 5 5 GLU CA C 13 60.111 0.027 . 1 . . . . . . . . 5532 1 35 . 1 1 5 5 GLU CB C 13 28.701 0.009 . 1 . . . . . . . . 5532 1 36 . 1 1 5 5 GLU CG C 13 35.928 0.039 . 1 . . . . . . . . 5532 1 37 . 1 1 5 5 GLU HA H 1 3.753 0.008 . 1 . . . . . . . . 5532 1 38 . 1 1 5 5 GLU HB2 H 1 1.999 0.001 . 1 . . . . . . . . 5532 1 39 . 1 1 5 5 GLU HB3 H 1 2.038 0.001 . 1 . . . . . . . . 5532 1 40 . 1 1 5 5 GLU HG2 H 1 2.116 0.005 . 1 . . . . . . . . 5532 1 41 . 1 1 5 5 GLU HG3 H 1 2.241 0.005 . 1 . . . . . . . . 5532 1 42 . 1 1 5 5 GLU H H 1 9.054 0.009 . 1 . . . . . . . . 5532 1 43 . 1 1 5 5 GLU N N 15 123.004 0.030 . 1 . . . . . . . . 5532 1 44 . 1 1 6 6 SER C C 13 177.297 0.000 . 1 . . . . . . . . 5532 1 45 . 1 1 6 6 SER CA C 13 61.428 0.044 . 1 . . . . . . . . 5532 1 46 . 1 1 6 6 SER CB C 13 62.110 0.053 . 1 . . . . . . . . 5532 1 47 . 1 1 6 6 SER HA H 1 4.013 0.007 . 1 . . . . . . . . 5532 1 48 . 1 1 6 6 SER H H 1 8.363 0.010 . 1 . . . . . . . . 5532 1 49 . 1 1 6 6 SER N N 15 113.239 0.036 . 1 . . . . . . . . 5532 1 50 . 1 1 6 6 SER HB2 H 1 3.823 0.005 . 1 . . . . . . . . 5532 1 51 . 1 1 7 7 GLN C C 13 179.056 0.000 . 1 . . . . . . . . 5532 1 52 . 1 1 7 7 GLN CA C 13 58.422 0.026 . 1 . . . . . . . . 5532 1 53 . 1 1 7 7 GLN CB C 13 28.278 0.045 . 1 . . . . . . . . 5532 1 54 . 1 1 7 7 GLN CG C 13 33.933 0.036 . 1 . . . . . . . . 5532 1 55 . 1 1 7 7 GLN HA H 1 3.996 0.002 . 1 . . . . . . . . 5532 1 56 . 1 1 7 7 GLN HB2 H 1 2.189 0.073 . 1 . . . . . . . . 5532 1 57 . 1 1 7 7 GLN HB3 H 1 2.023 0.078 . 1 . . . . . . . . 5532 1 58 . 1 1 7 7 GLN HE21 H 1 7.370 0.011 . 1 . . . . . . . . 5532 1 59 . 1 1 7 7 GLN HE22 H 1 6.870 0.010 . 1 . . . . . . . . 5532 1 60 . 1 1 7 7 GLN H H 1 7.735 0.013 . 1 . . . . . . . . 5532 1 61 . 1 1 7 7 GLN N N 15 122.436 0.012 . 1 . . . . . . . . 5532 1 62 . 1 1 7 7 GLN NE2 N 15 111.567 0.041 . 1 . . . . . . . . 5532 1 63 . 1 1 7 7 GLN HG2 H 1 2.348 0.005 . 1 . . . . . . . . 5532 1 64 . 1 1 8 8 LEU C C 13 178.136 0.000 . 1 . . . . . . . . 5532 1 65 . 1 1 8 8 LEU CA C 13 57.855 0.035 . 1 . . . . . . . . 5532 1 66 . 1 1 8 8 LEU CB C 13 42.506 0.036 . 1 . . . . . . . . 5532 1 67 . 1 1 8 8 LEU CD1 C 13 25.134 0.000 . 1 . . . . . . . . 5532 1 68 . 1 1 8 8 LEU CD2 C 13 25.846 0.009 . 1 . . . . . . . . 5532 1 69 . 1 1 8 8 LEU CG C 13 27.059 0.040 . 1 . . . . . . . . 5532 1 70 . 1 1 8 8 LEU HA H 1 3.996 0.017 . 1 . . . . . . . . 5532 1 71 . 1 1 8 8 LEU HB2 H 1 1.369 0.004 . 1 . . . . . . . . 5532 1 72 . 1 1 8 8 LEU HB3 H 1 1.792 0.007 . 1 . . . . . . . . 5532 1 73 . 1 1 8 8 LEU HG H 1 1.603 0.005 . 1 . . . . . . . . 5532 1 74 . 1 1 8 8 LEU H H 1 8.123 0.010 . 1 . . . . . . . . 5532 1 75 . 1 1 8 8 LEU N N 15 121.453 0.020 . 1 . . . . . . . . 5532 1 76 . 1 1 8 8 LEU HD11 H 1 0.780 0.000 . 1 . . . . . . . . 5532 1 77 . 1 1 8 8 LEU HD12 H 1 0.780 0.000 . 1 . . . . . . . . 5532 1 78 . 1 1 8 8 LEU HD13 H 1 0.780 0.000 . 1 . . . . . . . . 5532 1 79 . 1 1 8 8 LEU HD21 H 1 0.758 0.005 . 1 . . . . . . . . 5532 1 80 . 1 1 8 8 LEU HD22 H 1 0.758 0.005 . 1 . . . . . . . . 5532 1 81 . 1 1 8 8 LEU HD23 H 1 0.758 0.005 . 1 . . . . . . . . 5532 1 82 . 1 1 9 9 LYS C C 13 178.721 0.000 . 1 . . . . . . . . 5532 1 83 . 1 1 9 9 LYS CA C 13 59.909 0.017 . 1 . . . . . . . . 5532 1 84 . 1 1 9 9 LYS CB C 13 32.348 0.015 . 1 . . . . . . . . 5532 1 85 . 1 1 9 9 LYS CD C 13 29.558 0.063 . 1 . . . . . . . . 5532 1 86 . 1 1 9 9 LYS CG C 13 26.756 0.065 . 1 . . . . . . . . 5532 1 87 . 1 1 9 9 LYS HA H 1 3.519 0.005 . 1 . . . . . . . . 5532 1 88 . 1 1 9 9 LYS HB2 H 1 1.745 0.002 . 1 . . . . . . . . 5532 1 89 . 1 1 9 9 LYS HB3 H 1 1.806 0.000 . 1 . . . . . . . . 5532 1 90 . 1 1 9 9 LYS HG2 H 1 1.264 0.004 . 1 . . . . . . . . 5532 1 91 . 1 1 9 9 LYS HG3 H 1 1.540 0.016 . 1 . . . . . . . . 5532 1 92 . 1 1 9 9 LYS H H 1 8.227 0.010 . 1 . . . . . . . . 5532 1 93 . 1 1 9 9 LYS N N 15 116.467 0.010 . 1 . . . . . . . . 5532 1 94 . 1 1 9 9 LYS HD2 H 1 1.596 0.007 . 1 . . . . . . . . 5532 1 95 . 1 1 9 9 LYS HE2 H 1 2.833 0.000 . 1 . . . . . . . . 5532 1 96 . 1 1 10 10 LYS C C 13 179.619 0.000 . 1 . . . . . . . . 5532 1 97 . 1 1 10 10 LYS CA C 13 58.727 0.046 . 1 . . . . . . . . 5532 1 98 . 1 1 10 10 LYS CB C 13 32.182 0.026 . 1 . . . . . . . . 5532 1 99 . 1 1 10 10 LYS CD C 13 29.027 0.036 . 1 . . . . . . . . 5532 1 100 . 1 1 10 10 LYS CG C 13 24.986 0.031 . 1 . . . . . . . . 5532 1 101 . 1 1 10 10 LYS HA H 1 4.009 0.003 . 1 . . . . . . . . 5532 1 102 . 1 1 10 10 LYS HG2 H 1 1.393 0.004 . 1 . . . . . . . . 5532 1 103 . 1 1 10 10 LYS HG3 H 1 1.541 0.010 . 1 . . . . . . . . 5532 1 104 . 1 1 10 10 LYS H H 1 7.123 0.010 . 1 . . . . . . . . 5532 1 105 . 1 1 10 10 LYS N N 15 116.631 0.024 . 1 . . . . . . . . 5532 1 106 . 1 1 10 10 LYS HB2 H 1 1.886 0.008 . 1 . . . . . . . . 5532 1 107 . 1 1 10 10 LYS HD2 H 1 1.633 0.004 . 1 . . . . . . . . 5532 1 108 . 1 1 10 10 LYS HE2 H 1 2.943 0.009 . 1 . . . . . . . . 5532 1 109 . 1 1 11 11 MET C C 13 177.252 0.000 . 1 . . . . . . . . 5532 1 110 . 1 1 11 11 MET CA C 13 59.543 0.061 . 1 . . . . . . . . 5532 1 111 . 1 1 11 11 MET CB C 13 33.965 0.039 . 1 . . . . . . . . 5532 1 112 . 1 1 11 11 MET CE C 13 16.879 0.017 . 1 . . . . . . . . 5532 1 113 . 1 1 11 11 MET CG C 13 32.700 0.031 . 1 . . . . . . . . 5532 1 114 . 1 1 11 11 MET HA H 1 4.018 0.005 . 1 . . . . . . . . 5532 1 115 . 1 1 11 11 MET HB2 H 1 1.981 0.004 . 1 . . . . . . . . 5532 1 116 . 1 1 11 11 MET HB3 H 1 2.316 0.011 . 1 . . . . . . . . 5532 1 117 . 1 1 11 11 MET HG2 H 1 2.409 0.009 . 1 . . . . . . . . 5532 1 118 . 1 1 11 11 MET HG3 H 1 2.798 0.004 . 1 . . . . . . . . 5532 1 119 . 1 1 11 11 MET H H 1 7.836 0.015 . 1 . . . . . . . . 5532 1 120 . 1 1 11 11 MET N N 15 119.729 0.015 . 1 . . . . . . . . 5532 1 121 . 1 1 11 11 MET HE1 H 1 1.884 0.002 . 1 . . . . . . . . 5532 1 122 . 1 1 11 11 MET HE2 H 1 1.884 0.002 . 1 . . . . . . . . 5532 1 123 . 1 1 11 11 MET HE3 H 1 1.884 0.002 . 1 . . . . . . . . 5532 1 124 . 1 1 12 12 VAL C C 13 177.009 0.000 . 1 . . . . . . . . 5532 1 125 . 1 1 12 12 VAL CA C 13 59.127 0.048 . 1 . . . . . . . . 5532 1 126 . 1 1 12 12 VAL CB C 13 29.545 0.026 . 1 . . . . . . . . 5532 1 127 . 1 1 12 12 VAL CG1 C 13 21.354 0.016 . 1 . . . . . . . . 5532 1 128 . 1 1 12 12 VAL CG2 C 13 19.105 0.016 . 1 . . . . . . . . 5532 1 129 . 1 1 12 12 VAL HA H 1 4.434 0.005 . 1 . . . . . . . . 5532 1 130 . 1 1 12 12 VAL HB H 1 1.818 0.012 . 1 . . . . . . . . 5532 1 131 . 1 1 12 12 VAL H H 1 7.213 0.010 . 1 . . . . . . . . 5532 1 132 . 1 1 12 12 VAL N N 15 106.795 0.010 . 1 . . . . . . . . 5532 1 133 . 1 1 12 12 VAL HG11 H 1 0.201 0.004 . 1 . . . . . . . . 5532 1 134 . 1 1 12 12 VAL HG12 H 1 0.201 0.004 . 1 . . . . . . . . 5532 1 135 . 1 1 12 12 VAL HG13 H 1 0.201 0.004 . 1 . . . . . . . . 5532 1 136 . 1 1 12 12 VAL HG21 H 1 0.683 0.006 . 1 . . . . . . . . 5532 1 137 . 1 1 12 12 VAL HG22 H 1 0.683 0.006 . 1 . . . . . . . . 5532 1 138 . 1 1 12 12 VAL HG23 H 1 0.683 0.006 . 1 . . . . . . . . 5532 1 139 . 1 1 13 13 SER C C 13 176.236 0.000 . 1 . . . . . . . . 5532 1 140 . 1 1 13 13 SER CA C 13 62.097 0.008 . 1 . . . . . . . . 5532 1 141 . 1 1 13 13 SER CB C 13 63.277 0.030 . 1 . . . . . . . . 5532 1 142 . 1 1 13 13 SER HA H 1 4.049 0.006 . 1 . . . . . . . . 5532 1 143 . 1 1 13 13 SER HB2 H 1 4.011 0.005 . 1 . . . . . . . . 5532 1 144 . 1 1 13 13 SER HB3 H 1 4.108 0.007 . 1 . . . . . . . . 5532 1 145 . 1 1 13 13 SER H H 1 7.018 0.012 . 1 . . . . . . . . 5532 1 146 . 1 1 13 13 SER N N 15 115.990 0.030 . 1 . . . . . . . . 5532 1 147 . 1 1 14 14 LYS C C 13 176.910 0.000 . 1 . . . . . . . . 5532 1 148 . 1 1 14 14 LYS CA C 13 55.421 0.033 . 1 . . . . . . . . 5532 1 149 . 1 1 14 14 LYS CB C 13 31.257 0.019 . 1 . . . . . . . . 5532 1 150 . 1 1 14 14 LYS CD C 13 28.471 0.093 . 1 . . . . . . . . 5532 1 151 . 1 1 14 14 LYS CG C 13 24.907 0.014 . 1 . . . . . . . . 5532 1 152 . 1 1 14 14 LYS HA H 1 4.569 0.005 . 1 . . . . . . . . 5532 1 153 . 1 1 14 14 LYS HB2 H 1 1.782 0.003 . 1 . . . . . . . . 5532 1 154 . 1 1 14 14 LYS HB3 H 1 2.118 0.004 . 1 . . . . . . . . 5532 1 155 . 1 1 14 14 LYS HG2 H 1 1.430 0.001 . 1 . . . . . . . . 5532 1 156 . 1 1 14 14 LYS HG3 H 1 1.535 0.001 . 1 . . . . . . . . 5532 1 157 . 1 1 14 14 LYS H H 1 8.664 0.010 . 1 . . . . . . . . 5532 1 158 . 1 1 14 14 LYS N N 15 118.086 0.041 . 1 . . . . . . . . 5532 1 159 . 1 1 14 14 LYS HD2 H 1 1.692 0.005 . 1 . . . . . . . . 5532 1 160 . 1 1 14 14 LYS HE2 H 1 3.009 0.000 . 1 . . . . . . . . 5532 1 161 . 1 1 15 15 TYR C C 13 176.000 0.000 . 1 . . . . . . . . 5532 1 162 . 1 1 15 15 TYR CA C 13 59.560 0.035 . 1 . . . . . . . . 5532 1 163 . 1 1 15 15 TYR CB C 13 34.923 0.017 . 1 . . . . . . . . 5532 1 164 . 1 1 15 15 TYR CD1 C 13 131.456 0.038 . 1 . . . . . . . . 5532 1 165 . 1 1 15 15 TYR CE1 C 13 120.194 0.018 . 1 . . . . . . . . 5532 1 166 . 1 1 15 15 TYR HA H 1 4.258 0.008 . 1 . . . . . . . . 5532 1 167 . 1 1 15 15 TYR HH H 1 9.456 0.014 . 1 . . . . . . . . 5532 1 168 . 1 1 15 15 TYR H H 1 8.328 0.011 . 1 . . . . . . . . 5532 1 169 . 1 1 15 15 TYR N N 15 125.183 0.028 . 1 . . . . . . . . 5532 1 170 . 1 1 15 15 TYR HB2 H 1 3.480 0.009 . 1 . . . . . . . . 5532 1 171 . 1 1 15 15 TYR HD1 H 1 7.428 0.008 . 1 . . . . . . . . 5532 1 172 . 1 1 15 15 TYR HE1 H 1 6.793 0.005 . 1 . . . . . . . . 5532 1 173 . 1 1 16 16 LYS C C 13 177.137 0.000 . 1 . . . . . . . . 5532 1 174 . 1 1 16 16 LYS CA C 13 58.808 0.041 . 1 . . . . . . . . 5532 1 175 . 1 1 16 16 LYS CB C 13 32.906 0.031 . 1 . . . . . . . . 5532 1 176 . 1 1 16 16 LYS CD C 13 28.825 0.029 . 1 . . . . . . . . 5532 1 177 . 1 1 16 16 LYS CE C 13 41.935 0.023 . 1 . . . . . . . . 5532 1 178 . 1 1 16 16 LYS CG C 13 25.017 0.072 . 1 . . . . . . . . 5532 1 179 . 1 1 16 16 LYS HA H 1 3.791 0.007 . 1 . . . . . . . . 5532 1 180 . 1 1 16 16 LYS HB2 H 1 1.128 0.009 . 1 . . . . . . . . 5532 1 181 . 1 1 16 16 LYS HB3 H 1 1.492 0.007 . 1 . . . . . . . . 5532 1 182 . 1 1 16 16 LYS HG2 H 1 0.693 0.007 . 1 . . . . . . . . 5532 1 183 . 1 1 16 16 LYS HG3 H 1 1.040 0.004 . 1 . . . . . . . . 5532 1 184 . 1 1 16 16 LYS H H 1 7.866 0.010 . 1 . . . . . . . . 5532 1 185 . 1 1 16 16 LYS N N 15 121.634 0.034 . 1 . . . . . . . . 5532 1 186 . 1 1 16 16 LYS HD2 H 1 1.405 0.005 . 1 . . . . . . . . 5532 1 187 . 1 1 16 16 LYS HE2 H 1 2.792 0.005 . 1 . . . . . . . . 5532 1 188 . 1 1 17 17 TYR C C 13 177.371 0.000 . 1 . . . . . . . . 5532 1 189 . 1 1 17 17 TYR CA C 13 54.781 0.047 . 1 . . . . . . . . 5532 1 190 . 1 1 17 17 TYR CB C 13 34.995 0.028 . 1 . . . . . . . . 5532 1 191 . 1 1 17 17 TYR CD1 C 13 134.186 0.031 . 1 . . . . . . . . 5532 1 192 . 1 1 17 17 TYR CE1 C 13 117.854 0.028 . 1 . . . . . . . . 5532 1 193 . 1 1 17 17 TYR HA H 1 4.977 0.009 . 1 . . . . . . . . 5532 1 194 . 1 1 17 17 TYR HB2 H 1 3.166 0.021 . 1 . . . . . . . . 5532 1 195 . 1 1 17 17 TYR HB3 H 1 3.744 0.011 . 1 . . . . . . . . 5532 1 196 . 1 1 17 17 TYR H H 1 10.030 0.013 . 1 . . . . . . . . 5532 1 197 . 1 1 17 17 TYR N N 15 122.433 0.034 . 1 . . . . . . . . 5532 1 198 . 1 1 17 17 TYR HD1 H 1 7.164 0.009 . 1 . . . . . . . . 5532 1 199 . 1 1 17 17 TYR HE1 H 1 6.641 0.003 . 1 . . . . . . . . 5532 1 200 . 1 1 18 18 ARG C C 13 177.438 0.000 . 1 . . . . . . . . 5532 1 201 . 1 1 18 18 ARG CA C 13 60.864 0.035 . 1 . . . . . . . . 5532 1 202 . 1 1 18 18 ARG CB C 13 30.691 0.023 . 1 . . . . . . . . 5532 1 203 . 1 1 18 18 ARG CD C 13 43.586 0.053 . 1 . . . . . . . . 5532 1 204 . 1 1 18 18 ARG CG C 13 26.308 0.065 . 1 . . . . . . . . 5532 1 205 . 1 1 18 18 ARG HA H 1 3.728 0.007 . 1 . . . . . . . . 5532 1 206 . 1 1 18 18 ARG HB2 H 1 1.859 0.005 . 1 . . . . . . . . 5532 1 207 . 1 1 18 18 ARG HB3 H 1 2.032 0.003 . 1 . . . . . . . . 5532 1 208 . 1 1 18 18 ARG HD2 H 1 3.230 0.003 . 1 . . . . . . . . 5532 1 209 . 1 1 18 18 ARG HD3 H 1 3.299 0.006 . 1 . . . . . . . . 5532 1 210 . 1 1 18 18 ARG HG2 H 1 1.551 0.006 . 1 . . . . . . . . 5532 1 211 . 1 1 18 18 ARG HG3 H 1 1.855 0.006 . 1 . . . . . . . . 5532 1 212 . 1 1 18 18 ARG H H 1 7.661 0.011 . 1 . . . . . . . . 5532 1 213 . 1 1 18 18 ARG N N 15 122.974 0.016 . 1 . . . . . . . . 5532 1 214 . 1 1 19 19 ASP C C 13 179.453 0.000 . 1 . . . . . . . . 5532 1 215 . 1 1 19 19 ASP CA C 13 57.849 0.062 . 1 . . . . . . . . 5532 1 216 . 1 1 19 19 ASP CB C 13 39.221 0.021 . 1 . . . . . . . . 5532 1 217 . 1 1 19 19 ASP HA H 1 4.340 0.006 . 1 . . . . . . . . 5532 1 218 . 1 1 19 19 ASP H H 1 8.680 0.014 . 1 . . . . . . . . 5532 1 219 . 1 1 19 19 ASP N N 15 118.335 0.027 . 1 . . . . . . . . 5532 1 220 . 1 1 19 19 ASP HB2 H 1 2.725 0.004 . 1 . . . . . . . . 5532 1 221 . 1 1 20 20 LEU C C 13 179.593 0.000 . 1 . . . . . . . . 5532 1 222 . 1 1 20 20 LEU CA C 13 57.912 0.024 . 1 . . . . . . . . 5532 1 223 . 1 1 20 20 LEU CB C 13 42.086 0.041 . 1 . . . . . . . . 5532 1 224 . 1 1 20 20 LEU CD1 C 13 22.707 0.031 . 1 . . . . . . . . 5532 1 225 . 1 1 20 20 LEU CD2 C 13 25.614 0.052 . 1 . . . . . . . . 5532 1 226 . 1 1 20 20 LEU CG C 13 26.803 0.047 . 1 . . . . . . . . 5532 1 227 . 1 1 20 20 LEU HA H 1 4.157 0.007 . 1 . . . . . . . . 5532 1 228 . 1 1 20 20 LEU HB2 H 1 1.428 0.009 . 1 . . . . . . . . 5532 1 229 . 1 1 20 20 LEU HB3 H 1 1.915 0.006 . 1 . . . . . . . . 5532 1 230 . 1 1 20 20 LEU HG H 1 1.905 0.004 . 1 . . . . . . . . 5532 1 231 . 1 1 20 20 LEU H H 1 8.236 0.010 . 1 . . . . . . . . 5532 1 232 . 1 1 20 20 LEU N N 15 120.325 0.012 . 1 . . . . . . . . 5532 1 233 . 1 1 20 20 LEU HD11 H 1 0.951 0.008 . 1 . . . . . . . . 5532 1 234 . 1 1 20 20 LEU HD12 H 1 0.951 0.008 . 1 . . . . . . . . 5532 1 235 . 1 1 20 20 LEU HD13 H 1 0.951 0.008 . 1 . . . . . . . . 5532 1 236 . 1 1 20 20 LEU HD21 H 1 0.764 0.005 . 1 . . . . . . . . 5532 1 237 . 1 1 20 20 LEU HD22 H 1 0.764 0.005 . 1 . . . . . . . . 5532 1 238 . 1 1 20 20 LEU HD23 H 1 0.764 0.005 . 1 . . . . . . . . 5532 1 239 . 1 1 21 21 THR C C 13 177.531 0.000 . 1 . . . . . . . . 5532 1 240 . 1 1 21 21 THR CA C 13 68.881 0.031 . 1 . . . . . . . . 5532 1 241 . 1 1 21 21 THR CB C 13 68.075 0.084 . 1 . . . . . . . . 5532 1 242 . 1 1 21 21 THR CG2 C 13 21.288 0.021 . 1 . . . . . . . . 5532 1 243 . 1 1 21 21 THR HA H 1 3.848 0.011 . 1 . . . . . . . . 5532 1 244 . 1 1 21 21 THR HB H 1 4.301 0.006 . 1 . . . . . . . . 5532 1 245 . 1 1 21 21 THR HG1 H 1 3.988 0.016 . 1 . . . . . . . . 5532 1 246 . 1 1 21 21 THR H H 1 8.106 0.010 . 1 . . . . . . . . 5532 1 247 . 1 1 21 21 THR N N 15 116.390 0.015 . 1 . . . . . . . . 5532 1 248 . 1 1 21 21 THR HG21 H 1 0.954 0.008 . 1 . . . . . . . . 5532 1 249 . 1 1 21 21 THR HG22 H 1 0.954 0.008 . 1 . . . . . . . . 5532 1 250 . 1 1 21 21 THR HG23 H 1 0.954 0.008 . 1 . . . . . . . . 5532 1 251 . 1 1 22 22 VAL CA C 13 67.780 0.028 . 1 . . . . . . . . 5532 1 252 . 1 1 22 22 VAL CB C 13 31.646 0.050 . 1 . . . . . . . . 5532 1 253 . 1 1 22 22 VAL CG1 C 13 24.037 0.035 . 1 . . . . . . . . 5532 1 254 . 1 1 22 22 VAL CG2 C 13 21.383 0.058 . 1 . . . . . . . . 5532 1 255 . 1 1 22 22 VAL HA H 1 3.260 0.005 . 1 . . . . . . . . 5532 1 256 . 1 1 22 22 VAL HB H 1 2.146 0.004 . 1 . . . . . . . . 5532 1 257 . 1 1 22 22 VAL H H 1 8.758 0.010 . 1 . . . . . . . . 5532 1 258 . 1 1 22 22 VAL N N 15 123.437 0.008 . 1 . . . . . . . . 5532 1 259 . 1 1 22 22 VAL HG11 H 1 0.850 0.006 . 1 . . . . . . . . 5532 1 260 . 1 1 22 22 VAL HG12 H 1 0.850 0.006 . 1 . . . . . . . . 5532 1 261 . 1 1 22 22 VAL HG13 H 1 0.850 0.006 . 1 . . . . . . . . 5532 1 262 . 1 1 22 22 VAL HG21 H 1 0.875 0.003 . 1 . . . . . . . . 5532 1 263 . 1 1 22 22 VAL HG22 H 1 0.875 0.003 . 1 . . . . . . . . 5532 1 264 . 1 1 22 22 VAL HG23 H 1 0.875 0.003 . 1 . . . . . . . . 5532 1 265 . 1 1 23 23 ARG C C 13 178.967 0.000 . 1 . . . . . . . . 5532 1 266 . 1 1 23 23 ARG CA C 13 59.334 0.018 . 1 . . . . . . . . 5532 1 267 . 1 1 23 23 ARG CB C 13 29.813 0.022 . 1 . . . . . . . . 5532 1 268 . 1 1 23 23 ARG CD C 13 43.212 0.012 . 1 . . . . . . . . 5532 1 269 . 1 1 23 23 ARG CG C 13 26.574 0.032 . 1 . . . . . . . . 5532 1 270 . 1 1 23 23 ARG HA H 1 3.923 0.007 . 1 . . . . . . . . 5532 1 271 . 1 1 23 23 ARG HB2 H 1 1.954 0.004 . 1 . . . . . . . . 5532 1 272 . 1 1 23 23 ARG HB3 H 1 2.010 0.009 . 1 . . . . . . . . 5532 1 273 . 1 1 23 23 ARG HD2 H 1 3.212 0.004 . 1 . . . . . . . . 5532 1 274 . 1 1 23 23 ARG HD3 H 1 3.262 0.005 . 1 . . . . . . . . 5532 1 275 . 1 1 23 23 ARG H H 1 7.984 0.011 . 1 . . . . . . . . 5532 1 276 . 1 1 23 23 ARG N N 15 118.332 0.044 . 1 . . . . . . . . 5532 1 277 . 1 1 23 23 ARG HG2 H 1 1.719 0.004 . 1 . . . . . . . . 5532 1 278 . 1 1 24 24 GLU C C 13 179.163 0.000 . 1 . . . . . . . . 5532 1 279 . 1 1 24 24 GLU CA C 13 61.146 0.044 . 1 . . . . . . . . 5532 1 280 . 1 1 24 24 GLU CB C 13 29.763 0.032 . 1 . . . . . . . . 5532 1 281 . 1 1 24 24 GLU CG C 13 37.235 0.038 . 1 . . . . . . . . 5532 1 282 . 1 1 24 24 GLU HA H 1 4.138 0.003 . 1 . . . . . . . . 5532 1 283 . 1 1 24 24 GLU HB2 H 1 2.644 0.006 . 1 . . . . . . . . 5532 1 284 . 1 1 24 24 GLU HB3 H 1 2.157 0.005 . 1 . . . . . . . . 5532 1 285 . 1 1 24 24 GLU HG2 H 1 2.960 0.009 . 1 . . . . . . . . 5532 1 286 . 1 1 24 24 GLU HG3 H 1 2.464 0.004 . 1 . . . . . . . . 5532 1 287 . 1 1 24 24 GLU H H 1 7.932 0.017 . 1 . . . . . . . . 5532 1 288 . 1 1 24 24 GLU N N 15 115.876 0.019 . 1 . . . . . . . . 5532 1 289 . 1 1 25 25 THR C C 13 176.296 0.000 . 1 . . . . . . . . 5532 1 290 . 1 1 25 25 THR CA C 13 68.415 0.058 . 1 . . . . . . . . 5532 1 291 . 1 1 25 25 THR CB C 13 67.251 0.039 . 1 . . . . . . . . 5532 1 292 . 1 1 25 25 THR CG2 C 13 22.258 0.057 . 1 . . . . . . . . 5532 1 293 . 1 1 25 25 THR HA H 1 3.599 0.008 . 1 . . . . . . . . 5532 1 294 . 1 1 25 25 THR HB H 1 4.117 0.007 . 1 . . . . . . . . 5532 1 295 . 1 1 25 25 THR HG1 H 1 3.911 0.005 . 1 . . . . . . . . 5532 1 296 . 1 1 25 25 THR H H 1 7.967 0.008 . 1 . . . . . . . . 5532 1 297 . 1 1 25 25 THR N N 15 116.214 0.039 . 1 . . . . . . . . 5532 1 298 . 1 1 25 25 THR HG21 H 1 0.994 0.010 . 1 . . . . . . . . 5532 1 299 . 1 1 25 25 THR HG22 H 1 0.994 0.010 . 1 . . . . . . . . 5532 1 300 . 1 1 25 25 THR HG23 H 1 0.994 0.010 . 1 . . . . . . . . 5532 1 301 . 1 1 26 26 VAL C C 13 178.999 0.000 . 1 . . . . . . . . 5532 1 302 . 1 1 26 26 VAL CA C 13 66.857 0.039 . 1 . . . . . . . . 5532 1 303 . 1 1 26 26 VAL CB C 13 31.386 0.039 . 1 . . . . . . . . 5532 1 304 . 1 1 26 26 VAL CG1 C 13 23.212 0.023 . 1 . . . . . . . . 5532 1 305 . 1 1 26 26 VAL CG2 C 13 20.956 0.034 . 1 . . . . . . . . 5532 1 306 . 1 1 26 26 VAL HA H 1 3.441 0.008 . 1 . . . . . . . . 5532 1 307 . 1 1 26 26 VAL HB H 1 2.062 0.005 . 1 . . . . . . . . 5532 1 308 . 1 1 26 26 VAL H H 1 8.740 0.011 . 1 . . . . . . . . 5532 1 309 . 1 1 26 26 VAL N N 15 121.646 0.023 . 1 . . . . . . . . 5532 1 310 . 1 1 26 26 VAL HG11 H 1 0.924 0.004 . 1 . . . . . . . . 5532 1 311 . 1 1 26 26 VAL HG12 H 1 0.924 0.004 . 1 . . . . . . . . 5532 1 312 . 1 1 26 26 VAL HG13 H 1 0.924 0.004 . 1 . . . . . . . . 5532 1 313 . 1 1 26 26 VAL HG21 H 1 0.834 0.006 . 1 . . . . . . . . 5532 1 314 . 1 1 26 26 VAL HG22 H 1 0.834 0.006 . 1 . . . . . . . . 5532 1 315 . 1 1 26 26 VAL HG23 H 1 0.834 0.006 . 1 . . . . . . . . 5532 1 316 . 1 1 27 27 ASN C C 13 177.428 0.000 . 1 . . . . . . . . 5532 1 317 . 1 1 27 27 ASN CA C 13 55.852 0.049 . 1 . . . . . . . . 5532 1 318 . 1 1 27 27 ASN CB C 13 37.592 0.042 . 1 . . . . . . . . 5532 1 319 . 1 1 27 27 ASN HA H 1 4.431 0.004 . 1 . . . . . . . . 5532 1 320 . 1 1 27 27 ASN HB2 H 1 2.780 0.005 . 1 . . . . . . . . 5532 1 321 . 1 1 27 27 ASN HB3 H 1 3.006 0.006 . 1 . . . . . . . . 5532 1 322 . 1 1 27 27 ASN HD21 H 1 7.602 0.011 . 1 . . . . . . . . 5532 1 323 . 1 1 27 27 ASN HD22 H 1 6.851 0.009 . 1 . . . . . . . . 5532 1 324 . 1 1 27 27 ASN H H 1 7.838 0.012 . 1 . . . . . . . . 5532 1 325 . 1 1 27 27 ASN N N 15 119.125 0.017 . 1 . . . . . . . . 5532 1 326 . 1 1 27 27 ASN ND2 N 15 110.660 0.051 . 1 . . . . . . . . 5532 1 327 . 1 1 28 28 VAL C C 13 177.506 0.000 . 1 . . . . . . . . 5532 1 328 . 1 1 28 28 VAL CA C 13 66.634 0.030 . 1 . . . . . . . . 5532 1 329 . 1 1 28 28 VAL CB C 13 31.829 0.022 . 1 . . . . . . . . 5532 1 330 . 1 1 28 28 VAL CG1 C 13 22.665 0.042 . 1 . . . . . . . . 5532 1 331 . 1 1 28 28 VAL CG2 C 13 24.779 0.030 . 1 . . . . . . . . 5532 1 332 . 1 1 28 28 VAL HA H 1 3.952 0.006 . 1 . . . . . . . . 5532 1 333 . 1 1 28 28 VAL HB H 1 2.222 0.009 . 1 . . . . . . . . 5532 1 334 . 1 1 28 28 VAL H H 1 7.770 0.013 . 1 . . . . . . . . 5532 1 335 . 1 1 28 28 VAL N N 15 118.056 0.022 . 1 . . . . . . . . 5532 1 336 . 1 1 28 28 VAL HG11 H 1 0.928 0.004 . 1 . . . . . . . . 5532 1 337 . 1 1 28 28 VAL HG12 H 1 0.928 0.004 . 1 . . . . . . . . 5532 1 338 . 1 1 28 28 VAL HG13 H 1 0.928 0.004 . 1 . . . . . . . . 5532 1 339 . 1 1 28 28 VAL HG21 H 1 1.053 0.007 . 1 . . . . . . . . 5532 1 340 . 1 1 28 28 VAL HG22 H 1 1.053 0.007 . 1 . . . . . . . . 5532 1 341 . 1 1 28 28 VAL HG23 H 1 1.053 0.007 . 1 . . . . . . . . 5532 1 342 . 1 1 29 29 ILE C C 13 177.093 0.000 . 1 . . . . . . . . 5532 1 343 . 1 1 29 29 ILE CA C 13 63.967 0.018 . 1 . . . . . . . . 5532 1 344 . 1 1 29 29 ILE CB C 13 36.514 0.034 . 1 . . . . . . . . 5532 1 345 . 1 1 29 29 ILE CD1 C 13 13.691 0.063 . 1 . . . . . . . . 5532 1 346 . 1 1 29 29 ILE CG1 C 13 25.586 0.047 . 1 . . . . . . . . 5532 1 347 . 1 1 29 29 ILE CG2 C 13 18.046 0.018 . 1 . . . . . . . . 5532 1 348 . 1 1 29 29 ILE HA H 1 4.329 0.005 . 1 . . . . . . . . 5532 1 349 . 1 1 29 29 ILE HB H 1 2.258 0.009 . 1 . . . . . . . . 5532 1 350 . 1 1 29 29 ILE HG12 H 1 1.574 0.015 . 1 . . . . . . . . 5532 1 351 . 1 1 29 29 ILE HG13 H 1 1.354 0.016 . 1 . . . . . . . . 5532 1 352 . 1 1 29 29 ILE H H 1 8.392 0.009 . 1 . . . . . . . . 5532 1 353 . 1 1 29 29 ILE N N 15 114.845 0.020 . 1 . . . . . . . . 5532 1 354 . 1 1 29 29 ILE HD11 H 1 0.759 0.010 . 1 . . . . . . . . 5532 1 355 . 1 1 29 29 ILE HD12 H 1 0.759 0.010 . 1 . . . . . . . . 5532 1 356 . 1 1 29 29 ILE HD13 H 1 0.759 0.010 . 1 . . . . . . . . 5532 1 357 . 1 1 29 29 ILE HG21 H 1 0.867 0.004 . 1 . . . . . . . . 5532 1 358 . 1 1 29 29 ILE HG22 H 1 0.867 0.004 . 1 . . . . . . . . 5532 1 359 . 1 1 29 29 ILE HG23 H 1 0.867 0.004 . 1 . . . . . . . . 5532 1 360 . 1 1 30 30 THR C C 13 174.207 0.000 . 1 . . . . . . . . 5532 1 361 . 1 1 30 30 THR CA C 13 65.420 0.057 . 1 . . . . . . . . 5532 1 362 . 1 1 30 30 THR CB C 13 69.069 0.019 . 1 . . . . . . . . 5532 1 363 . 1 1 30 30 THR CG2 C 13 20.867 0.016 . 1 . . . . . . . . 5532 1 364 . 1 1 30 30 THR HA H 1 3.931 0.005 . 1 . . . . . . . . 5532 1 365 . 1 1 30 30 THR HB H 1 4.162 0.005 . 1 . . . . . . . . 5532 1 366 . 1 1 30 30 THR H H 1 7.578 0.021 . 1 . . . . . . . . 5532 1 367 . 1 1 30 30 THR N N 15 115.220 0.032 . 1 . . . . . . . . 5532 1 368 . 1 1 30 30 THR HG21 H 1 1.179 0.004 . 1 . . . . . . . . 5532 1 369 . 1 1 30 30 THR HG22 H 1 1.179 0.004 . 1 . . . . . . . . 5532 1 370 . 1 1 30 30 THR HG23 H 1 1.179 0.004 . 1 . . . . . . . . 5532 1 371 . 1 1 31 31 LEU C C 13 176.585 0.000 . 1 . . . . . . . . 5532 1 372 . 1 1 31 31 LEU CA C 13 56.131 0.042 . 1 . . . . . . . . 5532 1 373 . 1 1 31 31 LEU CB C 13 43.810 0.072 . 1 . . . . . . . . 5532 1 374 . 1 1 31 31 LEU CD1 C 13 23.989 0.021 . 1 . . . . . . . . 5532 1 375 . 1 1 31 31 LEU CD2 C 13 24.239 0.032 . 1 . . . . . . . . 5532 1 376 . 1 1 31 31 LEU CG C 13 26.881 0.010 . 1 . . . . . . . . 5532 1 377 . 1 1 31 31 LEU HA H 1 4.153 0.005 . 1 . . . . . . . . 5532 1 378 . 1 1 31 31 LEU HB2 H 1 1.143 0.007 . 1 . . . . . . . . 5532 1 379 . 1 1 31 31 LEU HB3 H 1 1.366 0.005 . 1 . . . . . . . . 5532 1 380 . 1 1 31 31 LEU HG H 1 0.926 0.005 . 1 . . . . . . . . 5532 1 381 . 1 1 31 31 LEU H H 1 6.786 0.012 . 1 . . . . . . . . 5532 1 382 . 1 1 31 31 LEU N N 15 121.513 0.016 . 1 . . . . . . . . 5532 1 383 . 1 1 31 31 LEU HD11 H 1 0.756 0.004 . 1 . . . . . . . . 5532 1 384 . 1 1 31 31 LEU HD12 H 1 0.756 0.004 . 1 . . . . . . . . 5532 1 385 . 1 1 31 31 LEU HD13 H 1 0.756 0.004 . 1 . . . . . . . . 5532 1 386 . 1 1 31 31 LEU HD21 H 1 0.663 0.003 . 1 . . . . . . . . 5532 1 387 . 1 1 31 31 LEU HD22 H 1 0.663 0.003 . 1 . . . . . . . . 5532 1 388 . 1 1 31 31 LEU HD23 H 1 0.663 0.003 . 1 . . . . . . . . 5532 1 389 . 1 1 32 32 TYR C C 13 175.210 0.000 . 1 . . . . . . . . 5532 1 390 . 1 1 32 32 TYR CA C 13 57.960 0.022 . 1 . . . . . . . . 5532 1 391 . 1 1 32 32 TYR CB C 13 35.917 0.036 . 1 . . . . . . . . 5532 1 392 . 1 1 32 32 TYR CD1 C 13 132.574 0.031 . 1 . . . . . . . . 5532 1 393 . 1 1 32 32 TYR CE1 C 13 117.539 0.083 . 1 . . . . . . . . 5532 1 394 . 1 1 32 32 TYR HA H 1 4.476 0.004 . 1 . . . . . . . . 5532 1 395 . 1 1 32 32 TYR HB2 H 1 3.219 0.005 . 1 . . . . . . . . 5532 1 396 . 1 1 32 32 TYR HB3 H 1 2.719 0.006 . 1 . . . . . . . . 5532 1 397 . 1 1 32 32 TYR H H 1 8.635 0.010 . 1 . . . . . . . . 5532 1 398 . 1 1 32 32 TYR N N 15 122.269 0.013 . 1 . . . . . . . . 5532 1 399 . 1 1 32 32 TYR HD1 H 1 7.090 0.009 . 1 . . . . . . . . 5532 1 400 . 1 1 32 32 TYR HE1 H 1 6.645 0.006 . 1 . . . . . . . . 5532 1 401 . 1 1 33 33 LYS C C 13 177.426 0.000 . 1 . . . . . . . . 5532 1 402 . 1 1 33 33 LYS CA C 13 57.548 0.019 . 1 . . . . . . . . 5532 1 403 . 1 1 33 33 LYS CB C 13 32.208 0.033 . 1 . . . . . . . . 5532 1 404 . 1 1 33 33 LYS CE C 13 42.068 0.021 . 1 . . . . . . . . 5532 1 405 . 1 1 33 33 LYS CG C 13 24.696 0.055 . 1 . . . . . . . . 5532 1 406 . 1 1 33 33 LYS HA H 1 4.316 0.010 . 1 . . . . . . . . 5532 1 407 . 1 1 33 33 LYS HB2 H 1 1.877 0.009 . 1 . . . . . . . . 5532 1 408 . 1 1 33 33 LYS HB3 H 1 1.675 0.008 . 1 . . . . . . . . 5532 1 409 . 1 1 33 33 LYS HG2 H 1 1.304 0.006 . 1 . . . . . . . . 5532 1 410 . 1 1 33 33 LYS HG3 H 1 1.421 0.002 . 1 . . . . . . . . 5532 1 411 . 1 1 33 33 LYS H H 1 7.430 0.012 . 1 . . . . . . . . 5532 1 412 . 1 1 33 33 LYS N N 15 115.811 0.021 . 1 . . . . . . . . 5532 1 413 . 1 1 33 33 LYS HE2 H 1 3.002 0.005 . 1 . . . . . . . . 5532 1 414 . 1 1 34 34 ASP C C 13 175.778 0.000 . 1 . . . . . . . . 5532 1 415 . 1 1 34 34 ASP CA C 13 53.691 0.023 . 1 . . . . . . . . 5532 1 416 . 1 1 34 34 ASP CB C 13 41.675 0.052 . 1 . . . . . . . . 5532 1 417 . 1 1 34 34 ASP HA H 1 4.989 0.004 . 1 . . . . . . . . 5532 1 418 . 1 1 34 34 ASP HB2 H 1 2.933 0.006 . 1 . . . . . . . . 5532 1 419 . 1 1 34 34 ASP HB3 H 1 2.298 0.004 . 1 . . . . . . . . 5532 1 420 . 1 1 34 34 ASP H H 1 8.784 0.010 . 1 . . . . . . . . 5532 1 421 . 1 1 34 34 ASP N N 15 118.694 0.021 . 1 . . . . . . . . 5532 1 422 . 1 1 35 35 LEU C C 13 174.756 0.000 . 1 . . . . . . . . 5532 1 423 . 1 1 35 35 LEU CA C 13 53.733 0.021 . 1 . . . . . . . . 5532 1 424 . 1 1 35 35 LEU CB C 13 43.510 0.049 . 1 . . . . . . . . 5532 1 425 . 1 1 35 35 LEU CD1 C 13 22.464 0.017 . 1 . . . . . . . . 5532 1 426 . 1 1 35 35 LEU CD2 C 13 25.625 0.029 . 1 . . . . . . . . 5532 1 427 . 1 1 35 35 LEU HA H 1 4.445 0.007 . 1 . . . . . . . . 5532 1 428 . 1 1 35 35 LEU HB2 H 1 0.784 0.009 . 1 . . . . . . . . 5532 1 429 . 1 1 35 35 LEU HB3 H 1 1.980 0.009 . 1 . . . . . . . . 5532 1 430 . 1 1 35 35 LEU HG H 1 1.500 0.013 . 1 . . . . . . . . 5532 1 431 . 1 1 35 35 LEU H H 1 7.480 0.014 . 1 . . . . . . . . 5532 1 432 . 1 1 35 35 LEU N N 15 119.418 0.010 . 1 . . . . . . . . 5532 1 433 . 1 1 35 35 LEU HD11 H 1 0.282 0.006 . 1 . . . . . . . . 5532 1 434 . 1 1 35 35 LEU HD12 H 1 0.282 0.006 . 1 . . . . . . . . 5532 1 435 . 1 1 35 35 LEU HD13 H 1 0.282 0.006 . 1 . . . . . . . . 5532 1 436 . 1 1 35 35 LEU HD21 H 1 0.520 0.008 . 1 . . . . . . . . 5532 1 437 . 1 1 35 35 LEU HD22 H 1 0.520 0.008 . 1 . . . . . . . . 5532 1 438 . 1 1 35 35 LEU HD23 H 1 0.520 0.008 . 1 . . . . . . . . 5532 1 439 . 1 1 36 36 LYS CA C 13 52.293 0.027 . 1 . . . . . . . . 5532 1 440 . 1 1 36 36 LYS CB C 13 34.471 0.021 . 1 . . . . . . . . 5532 1 441 . 1 1 36 36 LYS CG C 13 24.022 0.042 . 1 . . . . . . . . 5532 1 442 . 1 1 36 36 LYS HA H 1 4.839 0.014 . 1 . . . . . . . . 5532 1 443 . 1 1 36 36 LYS HB2 H 1 1.699 0.004 . 1 . . . . . . . . 5532 1 444 . 1 1 36 36 LYS HB3 H 1 1.729 0.004 . 1 . . . . . . . . 5532 1 445 . 1 1 36 36 LYS H H 1 8.349 0.015 . 1 . . . . . . . . 5532 1 446 . 1 1 36 36 LYS N N 15 121.092 0.021 . 1 . . . . . . . . 5532 1 447 . 1 1 36 36 LYS HD2 H 1 1.572 0.000 . 1 . . . . . . . . 5532 1 448 . 1 1 36 36 LYS HE2 H 1 2.900 0.000 . 1 . . . . . . . . 5532 1 449 . 1 1 36 36 LYS HG2 H 1 1.326 0.007 . 1 . . . . . . . . 5532 1 450 . 1 1 37 37 PRO C C 13 176.049 0.000 . 1 . . . . . . . . 5532 1 451 . 1 1 37 37 PRO CA C 13 61.238 0.023 . 1 . . . . . . . . 5532 1 452 . 1 1 37 37 PRO CB C 13 32.025 0.044 . 1 . . . . . . . . 5532 1 453 . 1 1 37 37 PRO CD C 13 50.230 0.023 . 1 . . . . . . . . 5532 1 454 . 1 1 37 37 PRO CG C 13 27.620 0.048 . 1 . . . . . . . . 5532 1 455 . 1 1 37 37 PRO HA H 1 5.317 0.005 . 1 . . . . . . . . 5532 1 456 . 1 1 37 37 PRO HB2 H 1 1.958 0.006 . 1 . . . . . . . . 5532 1 457 . 1 1 37 37 PRO HB3 H 1 1.814 0.003 . 1 . . . . . . . . 5532 1 458 . 1 1 37 37 PRO HG2 H 1 1.633 0.005 . 1 . . . . . . . . 5532 1 459 . 1 1 37 37 PRO HG3 H 1 2.061 0.006 . 1 . . . . . . . . 5532 1 460 . 1 1 37 37 PRO HD2 H 1 3.683 0.007 . 1 . . . . . . . . 5532 1 461 . 1 1 38 38 VAL C C 13 173.339 0.000 . 1 . . . . . . . . 5532 1 462 . 1 1 38 38 VAL CA C 13 60.837 0.016 . 1 . . . . . . . . 5532 1 463 . 1 1 38 38 VAL CB C 13 35.605 0.024 . 1 . . . . . . . . 5532 1 464 . 1 1 38 38 VAL CG1 C 13 20.723 0.019 . 1 . . . . . . . . 5532 1 465 . 1 1 38 38 VAL CG2 C 13 21.369 0.038 . 1 . . . . . . . . 5532 1 466 . 1 1 38 38 VAL HA H 1 4.066 0.006 . 1 . . . . . . . . 5532 1 467 . 1 1 38 38 VAL HB H 1 1.893 0.003 . 1 . . . . . . . . 5532 1 468 . 1 1 38 38 VAL H H 1 9.059 0.014 . 1 . . . . . . . . 5532 1 469 . 1 1 38 38 VAL N N 15 124.210 0.034 . 1 . . . . . . . . 5532 1 470 . 1 1 38 38 VAL HG11 H 1 0.682 0.003 . 1 . . . . . . . . 5532 1 471 . 1 1 38 38 VAL HG12 H 1 0.682 0.003 . 1 . . . . . . . . 5532 1 472 . 1 1 38 38 VAL HG13 H 1 0.682 0.003 . 1 . . . . . . . . 5532 1 473 . 1 1 38 38 VAL HG21 H 1 0.711 0.007 . 1 . . . . . . . . 5532 1 474 . 1 1 38 38 VAL HG22 H 1 0.711 0.007 . 1 . . . . . . . . 5532 1 475 . 1 1 38 38 VAL HG23 H 1 0.711 0.007 . 1 . . . . . . . . 5532 1 476 . 1 1 39 39 LEU C C 13 176.213 0.000 . 1 . . . . . . . . 5532 1 477 . 1 1 39 39 LEU CA C 13 53.246 0.039 . 1 . . . . . . . . 5532 1 478 . 1 1 39 39 LEU CB C 13 43.668 0.019 . 1 . . . . . . . . 5532 1 479 . 1 1 39 39 LEU CD1 C 13 24.427 0.021 . 1 . . . . . . . . 5532 1 480 . 1 1 39 39 LEU CD2 C 13 23.933 0.039 . 1 . . . . . . . . 5532 1 481 . 1 1 39 39 LEU CG C 13 26.810 0.027 . 1 . . . . . . . . 5532 1 482 . 1 1 39 39 LEU HA H 1 5.064 0.005 . 1 . . . . . . . . 5532 1 483 . 1 1 39 39 LEU HB2 H 1 1.431 0.004 . 1 . . . . . . . . 5532 1 484 . 1 1 39 39 LEU HB3 H 1 1.515 0.004 . 1 . . . . . . . . 5532 1 485 . 1 1 39 39 LEU HG H 1 1.458 0.006 . 1 . . . . . . . . 5532 1 486 . 1 1 39 39 LEU H H 1 8.102 0.009 . 1 . . . . . . . . 5532 1 487 . 1 1 39 39 LEU N N 15 123.847 0.012 . 1 . . . . . . . . 5532 1 488 . 1 1 39 39 LEU HD11 H 1 0.898 0.008 . 1 . . . . . . . . 5532 1 489 . 1 1 39 39 LEU HD12 H 1 0.898 0.008 . 1 . . . . . . . . 5532 1 490 . 1 1 39 39 LEU HD13 H 1 0.898 0.008 . 1 . . . . . . . . 5532 1 491 . 1 1 39 39 LEU HD21 H 1 0.852 0.011 . 1 . . . . . . . . 5532 1 492 . 1 1 39 39 LEU HD22 H 1 0.852 0.011 . 1 . . . . . . . . 5532 1 493 . 1 1 39 39 LEU HD23 H 1 0.852 0.011 . 1 . . . . . . . . 5532 1 494 . 1 1 40 40 ASP C C 13 173.892 0.000 . 1 . . . . . . . . 5532 1 495 . 1 1 40 40 ASP CA C 13 52.450 0.032 . 1 . . . . . . . . 5532 1 496 . 1 1 40 40 ASP CB C 13 44.545 0.021 . 1 . . . . . . . . 5532 1 497 . 1 1 40 40 ASP HA H 1 5.004 0.006 . 1 . . . . . . . . 5532 1 498 . 1 1 40 40 ASP HB2 H 1 2.506 0.008 . 1 . . . . . . . . 5532 1 499 . 1 1 40 40 ASP HB3 H 1 2.777 0.008 . 1 . . . . . . . . 5532 1 500 . 1 1 40 40 ASP H H 1 9.188 0.007 . 1 . . . . . . . . 5532 1 501 . 1 1 40 40 ASP N N 15 124.407 0.017 . 1 . . . . . . . . 5532 1 502 . 1 1 41 41 SER C C 13 172.656 0.000 . 1 . . . . . . . . 5532 1 503 . 1 1 41 41 SER CA C 13 58.245 0.000 . 1 . . . . . . . . 5532 1 504 . 1 1 41 41 SER CB C 13 63.561 0.050 . 1 . . . . . . . . 5532 1 505 . 1 1 41 41 SER HA H 1 4.712 0.015 . 1 . . . . . . . . 5532 1 506 . 1 1 41 41 SER HB2 H 1 3.641 0.005 . 1 . . . . . . . . 5532 1 507 . 1 1 41 41 SER HB3 H 1 3.549 0.007 . 1 . . . . . . . . 5532 1 508 . 1 1 41 41 SER H H 1 8.884 0.011 . 1 . . . . . . . . 5532 1 509 . 1 1 41 41 SER N N 15 115.711 0.015 . 1 . . . . . . . . 5532 1 510 . 1 1 42 42 TYR C C 13 173.375 0.000 . 1 . . . . . . . . 5532 1 511 . 1 1 42 42 TYR CA C 13 57.188 0.021 . 1 . . . . . . . . 5532 1 512 . 1 1 42 42 TYR CB C 13 40.650 0.035 . 1 . . . . . . . . 5532 1 513 . 1 1 42 42 TYR CE1 C 13 116.945 0.023 . 1 . . . . . . . . 5532 1 514 . 1 1 42 42 TYR HA H 1 3.616 0.012 . 1 . . . . . . . . 5532 1 515 . 1 1 42 42 TYR HB2 H 1 2.093 0.005 . 1 . . . . . . . . 5532 1 516 . 1 1 42 42 TYR HB3 H 1 1.548 0.013 . 1 . . . . . . . . 5532 1 517 . 1 1 42 42 TYR H H 1 8.822 0.013 . 1 . . . . . . . . 5532 1 518 . 1 1 42 42 TYR N N 15 129.992 0.028 . 1 . . . . . . . . 5532 1 519 . 1 1 42 42 TYR HD1 H 1 4.763 0.006 . 1 . . . . . . . . 5532 1 520 . 1 1 42 42 TYR HE1 H 1 5.676 0.009 . 1 . . . . . . . . 5532 1 521 . 1 1 43 43 VAL C C 13 175.628 0.000 . 1 . . . . . . . . 5532 1 522 . 1 1 43 43 VAL CA C 13 60.911 0.041 . 1 . . . . . . . . 5532 1 523 . 1 1 43 43 VAL CB C 13 31.719 0.029 . 1 . . . . . . . . 5532 1 524 . 1 1 43 43 VAL CG1 C 13 20.718 0.039 . 1 . . . . . . . . 5532 1 525 . 1 1 43 43 VAL CG2 C 13 20.500 0.055 . 1 . . . . . . . . 5532 1 526 . 1 1 43 43 VAL HA H 1 4.195 0.007 . 1 . . . . . . . . 5532 1 527 . 1 1 43 43 VAL HB H 1 1.417 0.006 . 1 . . . . . . . . 5532 1 528 . 1 1 43 43 VAL H H 1 6.543 0.014 . 1 . . . . . . . . 5532 1 529 . 1 1 43 43 VAL N N 15 125.733 0.011 . 1 . . . . . . . . 5532 1 530 . 1 1 43 43 VAL HG11 H 1 0.589 0.005 . 1 . . . . . . . . 5532 1 531 . 1 1 43 43 VAL HG12 H 1 0.589 0.005 . 1 . . . . . . . . 5532 1 532 . 1 1 43 43 VAL HG13 H 1 0.589 0.005 . 1 . . . . . . . . 5532 1 533 . 1 1 43 43 VAL HG21 H 1 0.723 0.005 . 1 . . . . . . . . 5532 1 534 . 1 1 43 43 VAL HG22 H 1 0.723 0.005 . 1 . . . . . . . . 5532 1 535 . 1 1 43 43 VAL HG23 H 1 0.723 0.005 . 1 . . . . . . . . 5532 1 536 . 1 1 44 44 PHE C C 13 177.872 0.000 . 1 . . . . . . . . 5532 1 537 . 1 1 44 44 PHE CA C 13 58.048 0.035 . 1 . . . . . . . . 5532 1 538 . 1 1 44 44 PHE CB C 13 39.938 0.067 . 1 . . . . . . . . 5532 1 539 . 1 1 44 44 PHE CD1 C 13 132.350 0.039 . 1 . . . . . . . . 5532 1 540 . 1 1 44 44 PHE CE1 C 13 130.950 0.030 . 1 . . . . . . . . 5532 1 541 . 1 1 44 44 PHE CZ C 13 128.928 0.034 . 1 . . . . . . . . 5532 1 542 . 1 1 44 44 PHE HA H 1 4.284 0.009 . 1 . . . . . . . . 5532 1 543 . 1 1 44 44 PHE HB2 H 1 3.237 0.006 . 1 . . . . . . . . 5532 1 544 . 1 1 44 44 PHE HB3 H 1 3.008 0.009 . 1 . . . . . . . . 5532 1 545 . 1 1 44 44 PHE H H 1 8.726 0.011 . 1 . . . . . . . . 5532 1 546 . 1 1 44 44 PHE HZ H 1 7.011 0.005 . 1 . . . . . . . . 5532 1 547 . 1 1 44 44 PHE N N 15 125.788 0.035 . 1 . . . . . . . . 5532 1 548 . 1 1 44 44 PHE HD1 H 1 7.341 0.008 . 1 . . . . . . . . 5532 1 549 . 1 1 44 44 PHE HE1 H 1 7.128 0.005 . 1 . . . . . . . . 5532 1 550 . 1 1 45 45 ASN C C 13 175.390 0.000 . 1 . . . . . . . . 5532 1 551 . 1 1 45 45 ASN CA C 13 55.849 0.028 . 1 . . . . . . . . 5532 1 552 . 1 1 45 45 ASN CB C 13 37.790 0.013 . 1 . . . . . . . . 5532 1 553 . 1 1 45 45 ASN HA H 1 4.319 0.006 . 1 . . . . . . . . 5532 1 554 . 1 1 45 45 ASN HD21 H 1 7.686 0.011 . 1 . . . . . . . . 5532 1 555 . 1 1 45 45 ASN HD22 H 1 6.961 0.013 . 1 . . . . . . . . 5532 1 556 . 1 1 45 45 ASN H H 1 9.072 0.012 . 1 . . . . . . . . 5532 1 557 . 1 1 45 45 ASN N N 15 119.593 0.021 . 1 . . . . . . . . 5532 1 558 . 1 1 45 45 ASN ND2 N 15 112.646 0.061 . 1 . . . . . . . . 5532 1 559 . 1 1 45 45 ASN HB2 H 1 2.855 0.012 . 1 . . . . . . . . 5532 1 560 . 1 1 46 46 ASP C C 13 177.044 0.000 . 1 . . . . . . . . 5532 1 561 . 1 1 46 46 ASP CA C 13 53.052 0.010 . 1 . . . . . . . . 5532 1 562 . 1 1 46 46 ASP CB C 13 39.581 0.024 . 1 . . . . . . . . 5532 1 563 . 1 1 46 46 ASP HA H 1 4.487 0.005 . 1 . . . . . . . . 5532 1 564 . 1 1 46 46 ASP HB2 H 1 2.561 0.004 . 1 . . . . . . . . 5532 1 565 . 1 1 46 46 ASP HB3 H 1 3.034 0.008 . 1 . . . . . . . . 5532 1 566 . 1 1 46 46 ASP H H 1 7.763 0.010 . 1 . . . . . . . . 5532 1 567 . 1 1 46 46 ASP N N 15 115.787 0.008 . 1 . . . . . . . . 5532 1 568 . 1 1 47 47 GLY C C 13 174.336 0.000 . 1 . . . . . . . . 5532 1 569 . 1 1 47 47 GLY CA C 13 44.924 0.028 . 1 . . . . . . . . 5532 1 570 . 1 1 47 47 GLY HA2 H 1 3.469 0.005 . 1 . . . . . . . . 5532 1 571 . 1 1 47 47 GLY HA3 H 1 4.258 0.006 . 1 . . . . . . . . 5532 1 572 . 1 1 47 47 GLY H H 1 8.136 0.015 . 1 . . . . . . . . 5532 1 573 . 1 1 47 47 GLY N N 15 108.958 0.013 . 1 . . . . . . . . 5532 1 574 . 1 1 48 48 SER C C 13 172.144 0.000 . 1 . . . . . . . . 5532 1 575 . 1 1 48 48 SER CA C 13 58.548 0.025 . 1 . . . . . . . . 5532 1 576 . 1 1 48 48 SER CB C 13 64.249 0.042 . 1 . . . . . . . . 5532 1 577 . 1 1 48 48 SER HA H 1 4.383 0.006 . 1 . . . . . . . . 5532 1 578 . 1 1 48 48 SER HB2 H 1 3.835 0.007 . 1 . . . . . . . . 5532 1 579 . 1 1 48 48 SER HB3 H 1 3.925 0.011 . 1 . . . . . . . . 5532 1 580 . 1 1 48 48 SER H H 1 8.183 0.008 . 1 . . . . . . . . 5532 1 581 . 1 1 48 48 SER N N 15 118.316 0.021 . 1 . . . . . . . . 5532 1 582 . 1 1 49 49 SER C C 13 174.619 0.000 . 1 . . . . . . . . 5532 1 583 . 1 1 49 49 SER CA C 13 56.408 0.031 . 1 . . . . . . . . 5532 1 584 . 1 1 49 49 SER CB C 13 66.373 0.019 . 1 . . . . . . . . 5532 1 585 . 1 1 49 49 SER HA H 1 5.774 0.008 . 1 . . . . . . . . 5532 1 586 . 1 1 49 49 SER HB2 H 1 3.562 0.005 . 1 . . . . . . . . 5532 1 587 . 1 1 49 49 SER HB3 H 1 3.598 0.007 . 1 . . . . . . . . 5532 1 588 . 1 1 49 49 SER H H 1 8.433 0.008 . 1 . . . . . . . . 5532 1 589 . 1 1 49 49 SER N N 15 112.868 0.016 . 1 . . . . . . . . 5532 1 590 . 1 1 50 50 ARG C C 13 174.205 0.000 . 1 . . . . . . . . 5532 1 591 . 1 1 50 50 ARG CA C 13 54.683 0.026 . 1 . . . . . . . . 5532 1 592 . 1 1 50 50 ARG CB C 13 34.472 0.037 . 1 . . . . . . . . 5532 1 593 . 1 1 50 50 ARG CD C 13 43.289 0.022 . 1 . . . . . . . . 5532 1 594 . 1 1 50 50 ARG CG C 13 26.936 0.043 . 1 . . . . . . . . 5532 1 595 . 1 1 50 50 ARG HA H 1 4.660 0.009 . 1 . . . . . . . . 5532 1 596 . 1 1 50 50 ARG HB2 H 1 1.814 0.005 . 1 . . . . . . . . 5532 1 597 . 1 1 50 50 ARG HB3 H 1 1.896 0.004 . 1 . . . . . . . . 5532 1 598 . 1 1 50 50 ARG HD2 H 1 3.275 0.006 . 1 . . . . . . . . 5532 1 599 . 1 1 50 50 ARG HD3 H 1 3.060 0.011 . 1 . . . . . . . . 5532 1 600 . 1 1 50 50 ARG HG2 H 1 1.631 0.005 . 1 . . . . . . . . 5532 1 601 . 1 1 50 50 ARG HG3 H 1 1.703 0.003 . 1 . . . . . . . . 5532 1 602 . 1 1 50 50 ARG H H 1 8.624 0.011 . 1 . . . . . . . . 5532 1 603 . 1 1 50 50 ARG N N 15 120.974 0.016 . 1 . . . . . . . . 5532 1 604 . 1 1 51 51 GLU C C 13 174.978 0.000 . 1 . . . . . . . . 5532 1 605 . 1 1 51 51 GLU CB C 13 28.742 0.009 . 1 . . . . . . . . 5532 1 606 . 1 1 51 51 GLU CG C 13 34.488 0.011 . 1 . . . . . . . . 5532 1 607 . 1 1 51 51 GLU HA H 1 4.742 0.003 . 1 . . . . . . . . 5532 1 608 . 1 1 51 51 GLU H H 1 8.594 0.012 . 1 . . . . . . . . 5532 1 609 . 1 1 51 51 GLU N N 15 123.364 0.012 . 1 . . . . . . . . 5532 1 610 . 1 1 51 51 GLU HB2 H 1 1.976 0.006 . 1 . . . . . . . . 5532 1 611 . 1 1 51 51 GLU HG2 H 1 2.227 0.004 . 1 . . . . . . . . 5532 1 612 . 1 1 52 52 LEU C C 13 174.890 0.000 . 1 . . . . . . . . 5532 1 613 . 1 1 52 52 LEU CA C 13 53.119 0.050 . 1 . . . . . . . . 5532 1 614 . 1 1 52 52 LEU CB C 13 46.759 0.048 . 1 . . . . . . . . 5532 1 615 . 1 1 52 52 LEU CD1 C 13 26.376 0.056 . 1 . . . . . . . . 5532 1 616 . 1 1 52 52 LEU CD2 C 13 22.108 0.022 . 1 . . . . . . . . 5532 1 617 . 1 1 52 52 LEU HA H 1 5.091 0.005 . 1 . . . . . . . . 5532 1 618 . 1 1 52 52 LEU HB2 H 1 1.901 0.014 . 1 . . . . . . . . 5532 1 619 . 1 1 52 52 LEU HB3 H 1 2.021 0.008 . 1 . . . . . . . . 5532 1 620 . 1 1 52 52 LEU HG H 1 1.650 0.003 . 1 . . . . . . . . 5532 1 621 . 1 1 52 52 LEU H H 1 9.175 0.010 . 1 . . . . . . . . 5532 1 622 . 1 1 52 52 LEU N N 15 128.370 0.020 . 1 . . . . . . . . 5532 1 623 . 1 1 52 52 LEU HD11 H 1 0.669 0.007 . 1 . . . . . . . . 5532 1 624 . 1 1 52 52 LEU HD12 H 1 0.669 0.007 . 1 . . . . . . . . 5532 1 625 . 1 1 52 52 LEU HD13 H 1 0.669 0.007 . 1 . . . . . . . . 5532 1 626 . 1 1 52 52 LEU HD21 H 1 1.102 0.089 . 1 . . . . . . . . 5532 1 627 . 1 1 52 52 LEU HD22 H 1 1.102 0.089 . 1 . . . . . . . . 5532 1 628 . 1 1 52 52 LEU HD23 H 1 1.102 0.089 . 1 . . . . . . . . 5532 1 629 . 1 1 53 53 MET C C 13 174.299 0.000 . 1 . . . . . . . . 5532 1 630 . 1 1 53 53 MET CA C 13 54.896 0.043 . 1 . . . . . . . . 5532 1 631 . 1 1 53 53 MET CB C 13 34.451 0.018 . 1 . . . . . . . . 5532 1 632 . 1 1 53 53 MET CE C 13 17.980 0.027 . 1 . . . . . . . . 5532 1 633 . 1 1 53 53 MET CG C 13 32.176 0.025 . 1 . . . . . . . . 5532 1 634 . 1 1 53 53 MET HA H 1 5.077 0.008 . 1 . . . . . . . . 5532 1 635 . 1 1 53 53 MET HB2 H 1 1.431 0.007 . 1 . . . . . . . . 5532 1 636 . 1 1 53 53 MET HB3 H 1 1.898 0.006 . 1 . . . . . . . . 5532 1 637 . 1 1 53 53 MET H H 1 9.018 0.015 . 1 . . . . . . . . 5532 1 638 . 1 1 53 53 MET N N 15 120.736 0.026 . 1 . . . . . . . . 5532 1 639 . 1 1 53 53 MET HE1 H 1 1.593 0.006 . 1 . . . . . . . . 5532 1 640 . 1 1 53 53 MET HE2 H 1 1.593 0.006 . 1 . . . . . . . . 5532 1 641 . 1 1 53 53 MET HE3 H 1 1.593 0.006 . 1 . . . . . . . . 5532 1 642 . 1 1 53 53 MET HG2 H 1 2.175 0.013 . 1 . . . . . . . . 5532 1 643 . 1 1 54 54 ASN C C 13 173.586 0.000 . 1 . . . . . . . . 5532 1 644 . 1 1 54 54 ASN CA C 13 50.099 0.030 . 1 . . . . . . . . 5532 1 645 . 1 1 54 54 ASN CB C 13 41.803 0.042 . 1 . . . . . . . . 5532 1 646 . 1 1 54 54 ASN HA H 1 5.209 0.004 . 1 . . . . . . . . 5532 1 647 . 1 1 54 54 ASN HB2 H 1 1.267 0.008 . 1 . . . . . . . . 5532 1 648 . 1 1 54 54 ASN HB3 H 1 1.538 0.014 . 1 . . . . . . . . 5532 1 649 . 1 1 54 54 ASN HD21 H 1 3.741 0.005 . 1 . . . . . . . . 5532 1 650 . 1 1 54 54 ASN HD22 H 1 5.638 0.012 . 1 . . . . . . . . 5532 1 651 . 1 1 54 54 ASN H H 1 9.149 0.011 . 1 . . . . . . . . 5532 1 652 . 1 1 54 54 ASN N N 15 122.118 0.039 . 1 . . . . . . . . 5532 1 653 . 1 1 54 54 ASN ND2 N 15 109.294 0.091 . 1 . . . . . . . . 5532 1 654 . 1 1 55 55 LEU C C 13 175.611 0.000 . 1 . . . . . . . . 5532 1 655 . 1 1 55 55 LEU CA C 13 52.977 0.017 . 1 . . . . . . . . 5532 1 656 . 1 1 55 55 LEU CB C 13 43.565 0.051 . 1 . . . . . . . . 5532 1 657 . 1 1 55 55 LEU CD1 C 13 25.859 0.013 . 1 . . . . . . . . 5532 1 658 . 1 1 55 55 LEU CD2 C 13 23.916 0.015 . 1 . . . . . . . . 5532 1 659 . 1 1 55 55 LEU HA H 1 4.826 0.005 . 1 . . . . . . . . 5532 1 660 . 1 1 55 55 LEU HB2 H 1 1.554 0.003 . 1 . . . . . . . . 5532 1 661 . 1 1 55 55 LEU HB3 H 1 0.922 0.008 . 1 . . . . . . . . 5532 1 662 . 1 1 55 55 LEU HG H 1 1.430 0.000 . 1 . . . . . . . . 5532 1 663 . 1 1 55 55 LEU H H 1 8.395 0.013 . 1 . . . . . . . . 5532 1 664 . 1 1 55 55 LEU N N 15 116.733 0.028 . 1 . . . . . . . . 5532 1 665 . 1 1 55 55 LEU HD11 H 1 0.734 0.010 . 1 . . . . . . . . 5532 1 666 . 1 1 55 55 LEU HD12 H 1 0.734 0.010 . 1 . . . . . . . . 5532 1 667 . 1 1 55 55 LEU HD13 H 1 0.734 0.010 . 1 . . . . . . . . 5532 1 668 . 1 1 55 55 LEU HD21 H 1 0.582 0.012 . 1 . . . . . . . . 5532 1 669 . 1 1 55 55 LEU HD22 H 1 0.582 0.012 . 1 . . . . . . . . 5532 1 670 . 1 1 55 55 LEU HD23 H 1 0.582 0.012 . 1 . . . . . . . . 5532 1 671 . 1 1 56 56 THR C C 13 173.994 0.000 . 1 . . . . . . . . 5532 1 672 . 1 1 56 56 THR CA C 13 60.717 0.058 . 1 . . . . . . . . 5532 1 673 . 1 1 56 56 THR CB C 13 71.642 0.035 . 1 . . . . . . . . 5532 1 674 . 1 1 56 56 THR CG2 C 13 20.667 0.032 . 1 . . . . . . . . 5532 1 675 . 1 1 56 56 THR HA H 1 4.955 0.006 . 1 . . . . . . . . 5532 1 676 . 1 1 56 56 THR HB H 1 3.789 0.009 . 1 . . . . . . . . 5532 1 677 . 1 1 56 56 THR H H 1 8.609 0.012 . 1 . . . . . . . . 5532 1 678 . 1 1 56 56 THR N N 15 117.742 0.051 . 1 . . . . . . . . 5532 1 679 . 1 1 56 56 THR HG21 H 1 1.065 0.005 . 1 . . . . . . . . 5532 1 680 . 1 1 56 56 THR HG22 H 1 1.065 0.005 . 1 . . . . . . . . 5532 1 681 . 1 1 56 56 THR HG23 H 1 1.065 0.005 . 1 . . . . . . . . 5532 1 682 . 1 1 57 57 GLY C C 13 172.047 0.000 . 1 . . . . . . . . 5532 1 683 . 1 1 57 57 GLY CA C 13 44.551 0.038 . 1 . . . . . . . . 5532 1 684 . 1 1 57 57 GLY HA2 H 1 5.473 0.007 . 1 . . . . . . . . 5532 1 685 . 1 1 57 57 GLY HA3 H 1 3.753 0.009 . 1 . . . . . . . . 5532 1 686 . 1 1 57 57 GLY H H 1 8.039 0.009 . 1 . . . . . . . . 5532 1 687 . 1 1 57 57 GLY N N 15 115.483 0.015 . 1 . . . . . . . . 5532 1 688 . 1 1 58 58 THR C C 13 172.492 0.000 . 1 . . . . . . . . 5532 1 689 . 1 1 58 58 THR CA C 13 58.696 0.030 . 1 . . . . . . . . 5532 1 690 . 1 1 58 58 THR CB C 13 71.855 0.034 . 1 . . . . . . . . 5532 1 691 . 1 1 58 58 THR CG2 C 13 20.993 0.042 . 1 . . . . . . . . 5532 1 692 . 1 1 58 58 THR HA H 1 5.534 0.005 . 1 . . . . . . . . 5532 1 693 . 1 1 58 58 THR HB H 1 3.386 0.007 . 1 . . . . . . . . 5532 1 694 . 1 1 58 58 THR H H 1 7.519 0.012 . 1 . . . . . . . . 5532 1 695 . 1 1 58 58 THR N N 15 112.558 0.021 . 1 . . . . . . . . 5532 1 696 . 1 1 58 58 THR HG21 H 1 0.739 0.006 . 1 . . . . . . . . 5532 1 697 . 1 1 58 58 THR HG22 H 1 0.739 0.006 . 1 . . . . . . . . 5532 1 698 . 1 1 58 58 THR HG23 H 1 0.739 0.006 . 1 . . . . . . . . 5532 1 699 . 1 1 59 59 ILE CB C 13 39.959 0.061 . 1 . . . . . . . . 5532 1 700 . 1 1 59 59 ILE CD1 C 13 13.815 0.014 . 1 . . . . . . . . 5532 1 701 . 1 1 59 59 ILE CG1 C 13 23.962 0.023 . 1 . . . . . . . . 5532 1 702 . 1 1 59 59 ILE CG2 C 13 19.167 0.068 . 1 . . . . . . . . 5532 1 703 . 1 1 59 59 ILE HA H 1 4.735 0.022 . 1 . . . . . . . . 5532 1 704 . 1 1 59 59 ILE HB H 1 1.374 0.008 . 1 . . . . . . . . 5532 1 705 . 1 1 59 59 ILE HG12 H 1 0.987 0.007 . 1 . . . . . . . . 5532 1 706 . 1 1 59 59 ILE HG13 H 1 1.643 0.008 . 1 . . . . . . . . 5532 1 707 . 1 1 59 59 ILE H H 1 7.941 0.017 . 1 . . . . . . . . 5532 1 708 . 1 1 59 59 ILE N N 15 110.393 0.013 . 1 . . . . . . . . 5532 1 709 . 1 1 59 59 ILE HD11 H 1 0.636 0.005 . 1 . . . . . . . . 5532 1 710 . 1 1 59 59 ILE HD12 H 1 0.636 0.005 . 1 . . . . . . . . 5532 1 711 . 1 1 59 59 ILE HD13 H 1 0.636 0.005 . 1 . . . . . . . . 5532 1 712 . 1 1 59 59 ILE HG21 H 1 0.616 0.005 . 1 . . . . . . . . 5532 1 713 . 1 1 59 59 ILE HG22 H 1 0.616 0.005 . 1 . . . . . . . . 5532 1 714 . 1 1 59 59 ILE HG23 H 1 0.616 0.005 . 1 . . . . . . . . 5532 1 715 . 1 1 60 60 PRO C C 13 176.535 0.000 . 1 . . . . . . . . 5532 1 716 . 1 1 60 60 PRO CA C 13 61.215 0.030 . 1 . . . . . . . . 5532 1 717 . 1 1 60 60 PRO CB C 13 30.796 0.011 . 1 . . . . . . . . 5532 1 718 . 1 1 60 60 PRO CD C 13 49.801 0.049 . 1 . . . . . . . . 5532 1 719 . 1 1 60 60 PRO CG C 13 27.145 0.020 . 1 . . . . . . . . 5532 1 720 . 1 1 60 60 PRO HA H 1 4.980 0.006 . 1 . . . . . . . . 5532 1 721 . 1 1 60 60 PRO HD2 H 1 3.587 0.006 . 1 . . . . . . . . 5532 1 722 . 1 1 60 60 PRO HD3 H 1 3.870 0.008 . 1 . . . . . . . . 5532 1 723 . 1 1 60 60 PRO HG2 H 1 2.236 0.003 . 1 . . . . . . . . 5532 1 724 . 1 1 60 60 PRO HG3 H 1 2.570 0.006 . 1 . . . . . . . . 5532 1 725 . 1 1 60 60 PRO HB2 H 1 1.828 0.004 . 1 . . . . . . . . 5532 1 726 . 1 1 61 61 VAL CA C 13 58.937 0.000 . 1 . . . . . . . . 5532 1 727 . 1 1 61 61 VAL CB C 13 35.810 0.023 . 1 . . . . . . . . 5532 1 728 . 1 1 61 61 VAL CG1 C 13 22.082 0.028 . 1 . . . . . . . . 5532 1 729 . 1 1 61 61 VAL CG2 C 13 20.457 0.034 . 1 . . . . . . . . 5532 1 730 . 1 1 61 61 VAL HA H 1 4.689 0.011 . 1 . . . . . . . . 5532 1 731 . 1 1 61 61 VAL HB H 1 2.079 0.010 . 1 . . . . . . . . 5532 1 732 . 1 1 61 61 VAL H H 1 9.501 0.012 . 1 . . . . . . . . 5532 1 733 . 1 1 61 61 VAL N N 15 125.751 0.025 . 1 . . . . . . . . 5532 1 734 . 1 1 61 61 VAL HG11 H 1 1.010 0.010 . 1 . . . . . . . . 5532 1 735 . 1 1 61 61 VAL HG12 H 1 1.010 0.010 . 1 . . . . . . . . 5532 1 736 . 1 1 61 61 VAL HG13 H 1 1.010 0.010 . 1 . . . . . . . . 5532 1 737 . 1 1 61 61 VAL HG21 H 1 0.957 0.010 . 1 . . . . . . . . 5532 1 738 . 1 1 61 61 VAL HG22 H 1 0.957 0.010 . 1 . . . . . . . . 5532 1 739 . 1 1 61 61 VAL HG23 H 1 0.957 0.010 . 1 . . . . . . . . 5532 1 740 . 1 1 62 62 PRO C C 13 176.944 0.000 . 1 . . . . . . . . 5532 1 741 . 1 1 62 62 PRO CA C 13 61.563 0.033 . 1 . . . . . . . . 5532 1 742 . 1 1 62 62 PRO CB C 13 31.759 0.040 . 1 . . . . . . . . 5532 1 743 . 1 1 62 62 PRO CD C 13 51.325 0.040 . 1 . . . . . . . . 5532 1 744 . 1 1 62 62 PRO CG C 13 27.103 0.040 . 1 . . . . . . . . 5532 1 745 . 1 1 62 62 PRO HA H 1 5.175 0.005 . 1 . . . . . . . . 5532 1 746 . 1 1 62 62 PRO HB2 H 1 2.110 0.010 . 1 . . . . . . . . 5532 1 747 . 1 1 62 62 PRO HB3 H 1 1.913 0.003 . 1 . . . . . . . . 5532 1 748 . 1 1 62 62 PRO HD2 H 1 3.821 0.005 . 1 . . . . . . . . 5532 1 749 . 1 1 62 62 PRO HD3 H 1 3.868 0.008 . 1 . . . . . . . . 5532 1 750 . 1 1 62 62 PRO HG2 H 1 1.924 0.003 . 1 . . . . . . . . 5532 1 751 . 1 1 62 62 PRO HG3 H 1 2.246 0.006 . 1 . . . . . . . . 5532 1 752 . 1 1 63 63 TYR C C 13 174.992 0.000 . 1 . . . . . . . . 5532 1 753 . 1 1 63 63 TYR CA C 13 58.768 0.045 . 1 . . . . . . . . 5532 1 754 . 1 1 63 63 TYR CB C 13 40.315 0.000 . 1 . . . . . . . . 5532 1 755 . 1 1 63 63 TYR CD1 C 13 133.875 0.051 . 1 . . . . . . . . 5532 1 756 . 1 1 63 63 TYR CE1 C 13 117.907 0.047 . 1 . . . . . . . . 5532 1 757 . 1 1 63 63 TYR HA H 1 4.897 0.009 . 1 . . . . . . . . 5532 1 758 . 1 1 63 63 TYR HB2 H 1 2.931 0.025 . 1 . . . . . . . . 5532 1 759 . 1 1 63 63 TYR HB3 H 1 3.196 0.015 . 1 . . . . . . . . 5532 1 760 . 1 1 63 63 TYR H H 1 9.380 0.008 . 1 . . . . . . . . 5532 1 761 . 1 1 63 63 TYR N N 15 123.472 0.019 . 1 . . . . . . . . 5532 1 762 . 1 1 63 63 TYR HD1 H 1 7.371 0.017 . 1 . . . . . . . . 5532 1 763 . 1 1 63 63 TYR HE1 H 1 6.899 0.025 . 1 . . . . . . . . 5532 1 764 . 1 1 64 64 ARG C C 13 175.661 0.000 . 1 . . . . . . . . 5532 1 765 . 1 1 64 64 ARG CA C 13 57.039 0.045 . 1 . . . . . . . . 5532 1 766 . 1 1 64 64 ARG CB C 13 28.083 0.044 . 1 . . . . . . . . 5532 1 767 . 1 1 64 64 ARG CD C 13 43.683 0.020 . 1 . . . . . . . . 5532 1 768 . 1 1 64 64 ARG CG C 13 26.759 0.022 . 1 . . . . . . . . 5532 1 769 . 1 1 64 64 ARG HA H 1 3.639 0.005 . 1 . . . . . . . . 5532 1 770 . 1 1 64 64 ARG HB2 H 1 1.330 0.004 . 1 . . . . . . . . 5532 1 771 . 1 1 64 64 ARG HB3 H 1 1.789 0.007 . 1 . . . . . . . . 5532 1 772 . 1 1 64 64 ARG HG2 H 1 0.960 0.007 . 1 . . . . . . . . 5532 1 773 . 1 1 64 64 ARG HG3 H 1 0.438 0.008 . 1 . . . . . . . . 5532 1 774 . 1 1 64 64 ARG H H 1 9.313 0.013 . 1 . . . . . . . . 5532 1 775 . 1 1 64 64 ARG N N 15 127.039 0.030 . 1 . . . . . . . . 5532 1 776 . 1 1 64 64 ARG HD2 H 1 2.902 0.009 . 1 . . . . . . . . 5532 1 777 . 1 1 65 65 GLY C C 13 173.657 0.000 . 1 . . . . . . . . 5532 1 778 . 1 1 65 65 GLY CA C 13 45.354 0.030 . 1 . . . . . . . . 5532 1 779 . 1 1 65 65 GLY HA2 H 1 3.530 0.003 . 1 . . . . . . . . 5532 1 780 . 1 1 65 65 GLY HA3 H 1 4.161 0.007 . 1 . . . . . . . . 5532 1 781 . 1 1 65 65 GLY H H 1 8.531 0.010 . 1 . . . . . . . . 5532 1 782 . 1 1 65 65 GLY N N 15 103.568 0.029 . 1 . . . . . . . . 5532 1 783 . 1 1 66 66 ASN C C 13 173.100 0.000 . 1 . . . . . . . . 5532 1 784 . 1 1 66 66 ASN CA C 13 51.266 0.030 . 1 . . . . . . . . 5532 1 785 . 1 1 66 66 ASN CB C 13 42.273 0.031 . 1 . . . . . . . . 5532 1 786 . 1 1 66 66 ASN HA H 1 4.963 0.005 . 1 . . . . . . . . 5532 1 787 . 1 1 66 66 ASN HB2 H 1 2.521 0.004 . 1 . . . . . . . . 5532 1 788 . 1 1 66 66 ASN HB3 H 1 2.254 0.005 . 1 . . . . . . . . 5532 1 789 . 1 1 66 66 ASN HD21 H 1 7.155 0.013 . 1 . . . . . . . . 5532 1 790 . 1 1 66 66 ASN HD22 H 1 6.955 0.019 . 1 . . . . . . . . 5532 1 791 . 1 1 66 66 ASN H H 1 7.670 0.013 . 1 . . . . . . . . 5532 1 792 . 1 1 66 66 ASN N N 15 118.215 0.016 . 1 . . . . . . . . 5532 1 793 . 1 1 66 66 ASN ND2 N 15 113.361 0.071 . 1 . . . . . . . . 5532 1 794 . 1 1 67 67 THR C C 13 173.049 0.000 . 1 . . . . . . . . 5532 1 795 . 1 1 67 67 THR CA C 13 62.896 0.031 . 1 . . . . . . . . 5532 1 796 . 1 1 67 67 THR CB C 13 69.143 0.025 . 1 . . . . . . . . 5532 1 797 . 1 1 67 67 THR CG2 C 13 21.824 0.076 . 1 . . . . . . . . 5532 1 798 . 1 1 67 67 THR HA H 1 4.444 0.006 . 1 . . . . . . . . 5532 1 799 . 1 1 67 67 THR HB H 1 3.703 0.008 . 1 . . . . . . . . 5532 1 800 . 1 1 67 67 THR H H 1 8.415 0.008 . 1 . . . . . . . . 5532 1 801 . 1 1 67 67 THR N N 15 117.534 0.022 . 1 . . . . . . . . 5532 1 802 . 1 1 67 67 THR HG21 H 1 0.867 0.010 . 1 . . . . . . . . 5532 1 803 . 1 1 67 67 THR HG22 H 1 0.867 0.010 . 1 . . . . . . . . 5532 1 804 . 1 1 67 67 THR HG23 H 1 0.867 0.010 . 1 . . . . . . . . 5532 1 805 . 1 1 68 68 TYR C C 13 173.045 0.000 . 1 . . . . . . . . 5532 1 806 . 1 1 68 68 TYR CA C 13 57.489 0.007 . 1 . . . . . . . . 5532 1 807 . 1 1 68 68 TYR CB C 13 39.937 0.058 . 1 . . . . . . . . 5532 1 808 . 1 1 68 68 TYR HA H 1 4.119 0.008 . 1 . . . . . . . . 5532 1 809 . 1 1 68 68 TYR HB2 H 1 2.980 0.007 . 1 . . . . . . . . 5532 1 810 . 1 1 68 68 TYR HB3 H 1 2.417 0.007 . 1 . . . . . . . . 5532 1 811 . 1 1 68 68 TYR HH H 1 9.843 0.003 . 1 . . . . . . . . 5532 1 812 . 1 1 68 68 TYR H H 1 8.687 0.011 . 1 . . . . . . . . 5532 1 813 . 1 1 68 68 TYR N N 15 127.585 0.024 . 1 . . . . . . . . 5532 1 814 . 1 1 68 68 TYR HD1 H 1 6.985 0.014 . 1 . . . . . . . . 5532 1 815 . 1 1 68 68 TYR HE1 H 1 6.726 0.000 . 1 . . . . . . . . 5532 1 816 . 1 1 69 69 ASN C C 13 173.246 0.000 . 1 . . . . . . . . 5532 1 817 . 1 1 69 69 ASN CA C 13 51.504 0.045 . 1 . . . . . . . . 5532 1 818 . 1 1 69 69 ASN CB C 13 37.970 0.045 . 1 . . . . . . . . 5532 1 819 . 1 1 69 69 ASN HA H 1 5.097 0.007 . 1 . . . . . . . . 5532 1 820 . 1 1 69 69 ASN HB2 H 1 3.080 0.007 . 1 . . . . . . . . 5532 1 821 . 1 1 69 69 ASN HB3 H 1 2.173 0.008 . 1 . . . . . . . . 5532 1 822 . 1 1 69 69 ASN HD21 H 1 6.954 0.043 . 1 . . . . . . . . 5532 1 823 . 1 1 69 69 ASN HD22 H 1 7.133 0.043 . 1 . . . . . . . . 5532 1 824 . 1 1 69 69 ASN H H 1 8.332 0.013 . 1 . . . . . . . . 5532 1 825 . 1 1 69 69 ASN N N 15 121.973 0.046 . 1 . . . . . . . . 5532 1 826 . 1 1 69 69 ASN ND2 N 15 116.036 0.095 . 1 . . . . . . . . 5532 1 827 . 1 1 70 70 ILE CA C 13 56.327 0.013 . 1 . . . . . . . . 5532 1 828 . 1 1 70 70 ILE CB C 13 36.946 0.025 . 1 . . . . . . . . 5532 1 829 . 1 1 70 70 ILE CD1 C 13 8.646 0.039 . 1 . . . . . . . . 5532 1 830 . 1 1 70 70 ILE CG2 C 13 15.480 0.019 . 1 . . . . . . . . 5532 1 831 . 1 1 70 70 ILE HA H 1 4.360 0.004 . 1 . . . . . . . . 5532 1 832 . 1 1 70 70 ILE HB H 1 2.077 0.006 . 1 . . . . . . . . 5532 1 833 . 1 1 70 70 ILE HG12 H 1 1.177 0.009 . 1 . . . . . . . . 5532 1 834 . 1 1 70 70 ILE HG13 H 1 1.708 0.005 . 1 . . . . . . . . 5532 1 835 . 1 1 70 70 ILE H H 1 8.602 0.012 . 1 . . . . . . . . 5532 1 836 . 1 1 70 70 ILE N N 15 125.080 0.028 . 1 . . . . . . . . 5532 1 837 . 1 1 70 70 ILE HD11 H 1 0.692 0.009 . 1 . . . . . . . . 5532 1 838 . 1 1 70 70 ILE HD12 H 1 0.692 0.009 . 1 . . . . . . . . 5532 1 839 . 1 1 70 70 ILE HD13 H 1 0.692 0.009 . 1 . . . . . . . . 5532 1 840 . 1 1 70 70 ILE HG21 H 1 0.586 0.007 . 1 . . . . . . . . 5532 1 841 . 1 1 70 70 ILE HG22 H 1 0.586 0.007 . 1 . . . . . . . . 5532 1 842 . 1 1 70 70 ILE HG23 H 1 0.586 0.007 . 1 . . . . . . . . 5532 1 843 . 1 1 71 71 PRO C C 13 176.720 0.000 . 1 . . . . . . . . 5532 1 844 . 1 1 71 71 PRO CA C 13 61.265 0.013 . 1 . . . . . . . . 5532 1 845 . 1 1 71 71 PRO CD C 13 49.889 0.016 . 1 . . . . . . . . 5532 1 846 . 1 1 71 71 PRO HA H 1 4.973 0.003 . 1 . . . . . . . . 5532 1 847 . 1 1 71 71 PRO HB2 H 1 1.760 0.004 . 1 . . . . . . . . 5532 1 848 . 1 1 71 71 PRO HB3 H 1 2.253 0.000 . 1 . . . . . . . . 5532 1 849 . 1 1 71 71 PRO HD2 H 1 3.415 0.005 . 1 . . . . . . . . 5532 1 850 . 1 1 71 71 PRO HD3 H 1 3.963 0.003 . 1 . . . . . . . . 5532 1 851 . 1 1 72 72 ILE C C 13 174.662 0.000 . 1 . . . . . . . . 5532 1 852 . 1 1 72 72 ILE CA C 13 58.890 0.015 . 1 . . . . . . . . 5532 1 853 . 1 1 72 72 ILE CB C 13 44.847 0.035 . 1 . . . . . . . . 5532 1 854 . 1 1 72 72 ILE CD1 C 13 15.157 0.013 . 1 . . . . . . . . 5532 1 855 . 1 1 72 72 ILE CG2 C 13 17.210 0.032 . 1 . . . . . . . . 5532 1 856 . 1 1 72 72 ILE HA H 1 5.360 0.007 . 1 . . . . . . . . 5532 1 857 . 1 1 72 72 ILE HB H 1 1.695 0.007 . 1 . . . . . . . . 5532 1 858 . 1 1 72 72 ILE H H 1 8.763 0.014 . 1 . . . . . . . . 5532 1 859 . 1 1 72 72 ILE N N 15 117.261 0.021 . 1 . . . . . . . . 5532 1 860 . 1 1 72 72 ILE HD11 H 1 0.624 0.011 . 1 . . . . . . . . 5532 1 861 . 1 1 72 72 ILE HD12 H 1 0.624 0.011 . 1 . . . . . . . . 5532 1 862 . 1 1 72 72 ILE HD13 H 1 0.624 0.011 . 1 . . . . . . . . 5532 1 863 . 1 1 72 72 ILE HG21 H 1 0.841 0.006 . 1 . . . . . . . . 5532 1 864 . 1 1 72 72 ILE HG22 H 1 0.841 0.006 . 1 . . . . . . . . 5532 1 865 . 1 1 72 72 ILE HG23 H 1 0.841 0.006 . 1 . . . . . . . . 5532 1 866 . 1 1 73 73 CYS C C 13 173.146 0.000 . 1 . . . . . . . . 5532 1 867 . 1 1 73 73 CYS CA C 13 57.758 0.024 . 1 . . . . . . . . 5532 1 868 . 1 1 73 73 CYS CB C 13 29.246 0.053 . 1 . . . . . . . . 5532 1 869 . 1 1 73 73 CYS HA H 1 5.128 0.003 . 1 . . . . . . . . 5532 1 870 . 1 1 73 73 CYS HB2 H 1 2.377 0.006 . 1 . . . . . . . . 5532 1 871 . 1 1 73 73 CYS HB3 H 1 2.626 0.008 . 1 . . . . . . . . 5532 1 872 . 1 1 73 73 CYS HG H 1 1.210 0.003 . 1 . . . . . . . . 5532 1 873 . 1 1 73 73 CYS H H 1 8.867 0.013 . 1 . . . . . . . . 5532 1 874 . 1 1 73 73 CYS N N 15 119.997 0.010 . 1 . . . . . . . . 5532 1 875 . 1 1 74 74 LEU C C 13 174.997 0.000 . 1 . . . . . . . . 5532 1 876 . 1 1 74 74 LEU CA C 13 52.804 0.005 . 1 . . . . . . . . 5532 1 877 . 1 1 74 74 LEU CB C 13 43.128 0.046 . 1 . . . . . . . . 5532 1 878 . 1 1 74 74 LEU CD1 C 13 24.898 0.018 . 1 . . . . . . . . 5532 1 879 . 1 1 74 74 LEU CD2 C 13 25.850 0.071 . 1 . . . . . . . . 5532 1 880 . 1 1 74 74 LEU CG C 13 26.650 0.048 . 1 . . . . . . . . 5532 1 881 . 1 1 74 74 LEU HA H 1 5.068 0.011 . 1 . . . . . . . . 5532 1 882 . 1 1 74 74 LEU HB2 H 1 1.087 0.009 . 1 . . . . . . . . 5532 1 883 . 1 1 74 74 LEU HB3 H 1 1.793 0.005 . 1 . . . . . . . . 5532 1 884 . 1 1 74 74 LEU HG H 1 1.564 0.010 . 1 . . . . . . . . 5532 1 885 . 1 1 74 74 LEU H H 1 9.030 0.011 . 1 . . . . . . . . 5532 1 886 . 1 1 74 74 LEU N N 15 127.547 0.026 . 1 . . . . . . . . 5532 1 887 . 1 1 74 74 LEU HD11 H 1 0.736 0.005 . 1 . . . . . . . . 5532 1 888 . 1 1 74 74 LEU HD12 H 1 0.736 0.005 . 1 . . . . . . . . 5532 1 889 . 1 1 74 74 LEU HD13 H 1 0.736 0.005 . 1 . . . . . . . . 5532 1 890 . 1 1 74 74 LEU HD21 H 1 0.680 0.004 . 1 . . . . . . . . 5532 1 891 . 1 1 74 74 LEU HD22 H 1 0.680 0.004 . 1 . . . . . . . . 5532 1 892 . 1 1 74 74 LEU HD23 H 1 0.680 0.004 . 1 . . . . . . . . 5532 1 893 . 1 1 75 75 TRP C C 13 175.561 0.000 . 1 . . . . . . . . 5532 1 894 . 1 1 75 75 TRP CA C 13 57.247 0.044 . 1 . . . . . . . . 5532 1 895 . 1 1 75 75 TRP CB C 13 29.517 0.045 . 1 . . . . . . . . 5532 1 896 . 1 1 75 75 TRP CD1 C 13 127.047 0.005 . 1 . . . . . . . . 5532 1 897 . 1 1 75 75 TRP CE3 C 13 120.156 0.023 . 1 . . . . . . . . 5532 1 898 . 1 1 75 75 TRP CH2 C 13 124.424 0.026 . 1 . . . . . . . . 5532 1 899 . 1 1 75 75 TRP CZ2 C 13 115.321 0.040 . 1 . . . . . . . . 5532 1 900 . 1 1 75 75 TRP CZ3 C 13 121.909 0.017 . 1 . . . . . . . . 5532 1 901 . 1 1 75 75 TRP HA H 1 4.331 0.007 . 1 . . . . . . . . 5532 1 902 . 1 1 75 75 TRP HB2 H 1 2.557 0.012 . 1 . . . . . . . . 5532 1 903 . 1 1 75 75 TRP HB3 H 1 3.163 0.009 . 1 . . . . . . . . 5532 1 904 . 1 1 75 75 TRP HD1 H 1 7.304 0.013 . 1 . . . . . . . . 5532 1 905 . 1 1 75 75 TRP HE1 H 1 10.232 0.019 . 1 . . . . . . . . 5532 1 906 . 1 1 75 75 TRP HE3 H 1 7.230 0.016 . 1 . . . . . . . . 5532 1 907 . 1 1 75 75 TRP HH2 H 1 6.835 0.008 . 1 . . . . . . . . 5532 1 908 . 1 1 75 75 TRP H H 1 9.684 0.013 . 1 . . . . . . . . 5532 1 909 . 1 1 75 75 TRP HZ2 H 1 7.362 0.003 . 1 . . . . . . . . 5532 1 910 . 1 1 75 75 TRP HZ3 H 1 7.124 0.008 . 1 . . . . . . . . 5532 1 911 . 1 1 75 75 TRP N N 15 124.130 0.019 . 1 . . . . . . . . 5532 1 912 . 1 1 75 75 TRP NE1 N 15 130.409 0.031 . 1 . . . . . . . . 5532 1 913 . 1 1 76 76 LEU C C 13 176.784 0.000 . 1 . . . . . . . . 5532 1 914 . 1 1 76 76 LEU CA C 13 53.433 0.084 . 1 . . . . . . . . 5532 1 915 . 1 1 76 76 LEU CB C 13 40.699 0.021 . 1 . . . . . . . . 5532 1 916 . 1 1 76 76 LEU CD1 C 13 23.198 0.025 . 1 . . . . . . . . 5532 1 917 . 1 1 76 76 LEU CD2 C 13 24.944 0.034 . 1 . . . . . . . . 5532 1 918 . 1 1 76 76 LEU CG C 13 27.787 0.041 . 1 . . . . . . . . 5532 1 919 . 1 1 76 76 LEU HA H 1 4.560 0.011 . 1 . . . . . . . . 5532 1 920 . 1 1 76 76 LEU HB2 H 1 1.198 0.020 . 1 . . . . . . . . 5532 1 921 . 1 1 76 76 LEU HB3 H 1 1.954 0.009 . 1 . . . . . . . . 5532 1 922 . 1 1 76 76 LEU HG H 1 1.257 0.008 . 1 . . . . . . . . 5532 1 923 . 1 1 76 76 LEU H H 1 8.403 0.013 . 1 . . . . . . . . 5532 1 924 . 1 1 76 76 LEU N N 15 122.253 0.021 . 1 . . . . . . . . 5532 1 925 . 1 1 76 76 LEU HD11 H 1 0.087 0.004 . 1 . . . . . . . . 5532 1 926 . 1 1 76 76 LEU HD12 H 1 0.087 0.004 . 1 . . . . . . . . 5532 1 927 . 1 1 76 76 LEU HD13 H 1 0.087 0.004 . 1 . . . . . . . . 5532 1 928 . 1 1 76 76 LEU HD21 H 1 0.369 0.010 . 1 . . . . . . . . 5532 1 929 . 1 1 76 76 LEU HD22 H 1 0.369 0.010 . 1 . . . . . . . . 5532 1 930 . 1 1 76 76 LEU HD23 H 1 0.369 0.010 . 1 . . . . . . . . 5532 1 931 . 1 1 77 77 LEU C C 13 176.907 0.000 . 1 . . . . . . . . 5532 1 932 . 1 1 77 77 LEU CA C 13 55.279 0.017 . 1 . . . . . . . . 5532 1 933 . 1 1 77 77 LEU CD1 C 13 22.083 0.017 . 1 . . . . . . . . 5532 1 934 . 1 1 77 77 LEU CD2 C 13 25.226 0.048 . 1 . . . . . . . . 5532 1 935 . 1 1 77 77 LEU HA H 1 4.313 0.007 . 1 . . . . . . . . 5532 1 936 . 1 1 77 77 LEU HB2 H 1 1.550 0.017 . 1 . . . . . . . . 5532 1 937 . 1 1 77 77 LEU HB3 H 1 1.780 0.010 . 1 . . . . . . . . 5532 1 938 . 1 1 77 77 LEU H H 1 8.652 0.013 . 1 . . . . . . . . 5532 1 939 . 1 1 77 77 LEU N N 15 123.833 0.031 . 1 . . . . . . . . 5532 1 940 . 1 1 77 77 LEU HD11 H 1 0.738 0.006 . 1 . . . . . . . . 5532 1 941 . 1 1 77 77 LEU HD12 H 1 0.738 0.006 . 1 . . . . . . . . 5532 1 942 . 1 1 77 77 LEU HD13 H 1 0.738 0.006 . 1 . . . . . . . . 5532 1 943 . 1 1 77 77 LEU HD21 H 1 0.786 0.012 . 1 . . . . . . . . 5532 1 944 . 1 1 77 77 LEU HD22 H 1 0.786 0.012 . 1 . . . . . . . . 5532 1 945 . 1 1 77 77 LEU HD23 H 1 0.786 0.012 . 1 . . . . . . . . 5532 1 946 . 1 1 78 78 ASP C C 13 177.300 0.000 . 1 . . . . . . . . 5532 1 947 . 1 1 78 78 ASP CA C 13 55.384 0.027 . 1 . . . . . . . . 5532 1 948 . 1 1 78 78 ASP CB C 13 38.956 0.041 . 1 . . . . . . . . 5532 1 949 . 1 1 78 78 ASP HA H 1 2.959 0.008 . 1 . . . . . . . . 5532 1 950 . 1 1 78 78 ASP HB2 H 1 2.066 0.009 . 1 . . . . . . . . 5532 1 951 . 1 1 78 78 ASP HB3 H 1 2.519 0.010 . 1 . . . . . . . . 5532 1 952 . 1 1 78 78 ASP H H 1 8.405 0.008 . 1 . . . . . . . . 5532 1 953 . 1 1 78 78 ASP N N 15 115.501 0.046 . 1 . . . . . . . . 5532 1 954 . 1 1 79 79 THR C C 13 174.307 0.000 . 1 . . . . . . . . 5532 1 955 . 1 1 79 79 THR CA C 13 60.738 0.060 . 1 . . . . . . . . 5532 1 956 . 1 1 79 79 THR CG2 C 13 22.338 0.032 . 1 . . . . . . . . 5532 1 957 . 1 1 79 79 THR HA H 1 4.376 0.007 . 1 . . . . . . . . 5532 1 958 . 1 1 79 79 THR HB H 1 4.850 0.035 . 1 . . . . . . . . 5532 1 959 . 1 1 79 79 THR H H 1 6.906 0.028 . 1 . . . . . . . . 5532 1 960 . 1 1 79 79 THR N N 15 107.339 0.016 . 1 . . . . . . . . 5532 1 961 . 1 1 79 79 THR HG21 H 1 1.189 0.018 . 1 . . . . . . . . 5532 1 962 . 1 1 79 79 THR HG22 H 1 1.189 0.018 . 1 . . . . . . . . 5532 1 963 . 1 1 79 79 THR HG23 H 1 1.189 0.018 . 1 . . . . . . . . 5532 1 964 . 1 1 80 80 TYR CA C 13 60.044 0.053 . 1 . . . . . . . . 5532 1 965 . 1 1 80 80 TYR CB C 13 38.573 0.004 . 1 . . . . . . . . 5532 1 966 . 1 1 80 80 TYR CD1 C 13 133.526 0.000 . 1 . . . . . . . . 5532 1 967 . 1 1 80 80 TYR CE1 C 13 133.197 0.000 . 1 . . . . . . . . 5532 1 968 . 1 1 80 80 TYR HA H 1 4.058 0.006 . 1 . . . . . . . . 5532 1 969 . 1 1 80 80 TYR HB2 H 1 3.532 0.011 . 1 . . . . . . . . 5532 1 970 . 1 1 80 80 TYR HB3 H 1 3.280 0.014 . 1 . . . . . . . . 5532 1 971 . 1 1 80 80 TYR H H 1 8.425 0.010 . 1 . . . . . . . . 5532 1 972 . 1 1 80 80 TYR N N 15 127.225 0.018 . 1 . . . . . . . . 5532 1 973 . 1 1 80 80 TYR HD1 H 1 7.257 0.007 . 1 . . . . . . . . 5532 1 974 . 1 1 80 80 TYR HE1 H 1 7.385 0.008 . 1 . . . . . . . . 5532 1 975 . 1 1 81 81 PRO C C 13 175.438 0.000 . 1 . . . . . . . . 5532 1 976 . 1 1 81 81 PRO CA C 13 62.203 0.018 . 1 . . . . . . . . 5532 1 977 . 1 1 81 81 PRO CB C 13 33.989 0.019 . 1 . . . . . . . . 5532 1 978 . 1 1 81 81 PRO CD C 13 50.255 0.049 . 1 . . . . . . . . 5532 1 979 . 1 1 81 81 PRO CG C 13 22.879 0.010 . 1 . . . . . . . . 5532 1 980 . 1 1 81 81 PRO HA H 1 2.526 0.018 . 1 . . . . . . . . 5532 1 981 . 1 1 81 81 PRO HB2 H 1 1.424 0.009 . 1 . . . . . . . . 5532 1 982 . 1 1 81 81 PRO HB3 H 1 2.323 0.003 . 1 . . . . . . . . 5532 1 983 . 1 1 81 81 PRO HD2 H 1 2.913 0.005 . 1 . . . . . . . . 5532 1 984 . 1 1 81 81 PRO HD3 H 1 3.217 0.009 . 1 . . . . . . . . 5532 1 985 . 1 1 81 81 PRO HG2 H 1 -0.389 0.005 . 1 . . . . . . . . 5532 1 986 . 1 1 81 81 PRO HG3 H 1 0.909 0.006 . 1 . . . . . . . . 5532 1 987 . 1 1 82 82 TYR C C 13 175.213 0.000 . 1 . . . . . . . . 5532 1 988 . 1 1 82 82 TYR CA C 13 61.358 0.021 . 1 . . . . . . . . 5532 1 989 . 1 1 82 82 TYR CB C 13 37.128 0.031 . 1 . . . . . . . . 5532 1 990 . 1 1 82 82 TYR CD1 C 13 132.603 0.033 . 1 . . . . . . . . 5532 1 991 . 1 1 82 82 TYR CE1 C 13 117.166 0.020 . 1 . . . . . . . . 5532 1 992 . 1 1 82 82 TYR HA H 1 4.189 0.007 . 1 . . . . . . . . 5532 1 993 . 1 1 82 82 TYR HB2 H 1 2.813 0.008 . 1 . . . . . . . . 5532 1 994 . 1 1 82 82 TYR HB3 H 1 3.142 0.015 . 1 . . . . . . . . 5532 1 995 . 1 1 82 82 TYR H H 1 8.779 0.013 . 1 . . . . . . . . 5532 1 996 . 1 1 82 82 TYR N N 15 124.749 0.033 . 1 . . . . . . . . 5532 1 997 . 1 1 82 82 TYR HD1 H 1 6.697 0.001 . 1 . . . . . . . . 5532 1 998 . 1 1 82 82 TYR HE1 H 1 5.965 0.003 . 1 . . . . . . . . 5532 1 999 . 1 1 83 83 ASN CA C 13 50.549 0.025 . 1 . . . . . . . . 5532 1 1000 . 1 1 83 83 ASN CB C 13 41.203 0.051 . 1 . . . . . . . . 5532 1 1001 . 1 1 83 83 ASN HA H 1 5.007 0.005 . 1 . . . . . . . . 5532 1 1002 . 1 1 83 83 ASN HB2 H 1 2.638 0.006 . 1 . . . . . . . . 5532 1 1003 . 1 1 83 83 ASN HB3 H 1 1.967 0.008 . 1 . . . . . . . . 5532 1 1004 . 1 1 83 83 ASN HD21 H 1 7.917 0.011 . 1 . . . . . . . . 5532 1 1005 . 1 1 83 83 ASN HD22 H 1 7.053 0.014 . 1 . . . . . . . . 5532 1 1006 . 1 1 83 83 ASN H H 1 6.707 0.015 . 1 . . . . . . . . 5532 1 1007 . 1 1 83 83 ASN N N 15 114.815 0.020 . 1 . . . . . . . . 5532 1 1008 . 1 1 83 83 ASN ND2 N 15 113.586 0.040 . 1 . . . . . . . . 5532 1 1009 . 1 1 84 84 PRO CD C 13 50.436 0.053 . 1 . . . . . . . . 5532 1 1010 . 1 1 84 84 PRO CG C 13 25.924 0.099 . 1 . . . . . . . . 5532 1 1011 . 1 1 84 84 PRO HD2 H 1 3.736 0.005 . 1 . . . . . . . . 5532 1 1012 . 1 1 84 84 PRO HD3 H 1 3.448 0.010 . 1 . . . . . . . . 5532 1 1013 . 1 1 84 84 PRO HG2 H 1 1.856 0.000 . 1 . . . . . . . . 5532 1 1014 . 1 1 84 84 PRO HG3 H 1 2.201 0.004 . 1 . . . . . . . . 5532 1 1015 . 1 1 85 85 PRO C C 13 174.238 0.000 . 1 . . . . . . . . 5532 1 1016 . 1 1 85 85 PRO CB C 13 31.987 0.018 . 1 . . . . . . . . 5532 1 1017 . 1 1 85 85 PRO CD C 13 49.111 0.022 . 1 . . . . . . . . 5532 1 1018 . 1 1 85 85 PRO CG C 13 27.078 0.015 . 1 . . . . . . . . 5532 1 1019 . 1 1 85 85 PRO HA H 1 4.809 0.004 . 1 . . . . . . . . 5532 1 1020 . 1 1 85 85 PRO HB2 H 1 1.802 0.003 . 1 . . . . . . . . 5532 1 1021 . 1 1 85 85 PRO HB3 H 1 1.516 0.002 . 1 . . . . . . . . 5532 1 1022 . 1 1 85 85 PRO HG2 H 1 1.373 0.000 . 1 . . . . . . . . 5532 1 1023 . 1 1 85 85 PRO HG3 H 1 1.431 0.000 . 1 . . . . . . . . 5532 1 1024 . 1 1 85 85 PRO HD2 H 1 2.329 0.004 . 1 . . . . . . . . 5532 1 1025 . 1 1 86 86 ILE C C 13 176.250 0.000 . 1 . . . . . . . . 5532 1 1026 . 1 1 86 86 ILE CA C 13 61.486 0.035 . 1 . . . . . . . . 5532 1 1027 . 1 1 86 86 ILE CB C 13 38.451 0.022 . 1 . . . . . . . . 5532 1 1028 . 1 1 86 86 ILE CD1 C 13 13.042 0.025 . 1 . . . . . . . . 5532 1 1029 . 1 1 86 86 ILE CG1 C 13 27.122 0.039 . 1 . . . . . . . . 5532 1 1030 . 1 1 86 86 ILE CG2 C 13 19.159 0.024 . 1 . . . . . . . . 5532 1 1031 . 1 1 86 86 ILE HA H 1 4.033 0.004 . 1 . . . . . . . . 5532 1 1032 . 1 1 86 86 ILE HB H 1 1.744 0.012 . 1 . . . . . . . . 5532 1 1033 . 1 1 86 86 ILE HG12 H 1 1.398 0.008 . 1 . . . . . . . . 5532 1 1034 . 1 1 86 86 ILE HG13 H 1 0.974 0.004 . 1 . . . . . . . . 5532 1 1035 . 1 1 86 86 ILE H H 1 8.464 0.008 . 1 . . . . . . . . 5532 1 1036 . 1 1 86 86 ILE N N 15 121.401 0.036 . 1 . . . . . . . . 5532 1 1037 . 1 1 86 86 ILE HD11 H 1 0.565 0.004 . 1 . . . . . . . . 5532 1 1038 . 1 1 86 86 ILE HD12 H 1 0.565 0.004 . 1 . . . . . . . . 5532 1 1039 . 1 1 86 86 ILE HD13 H 1 0.565 0.004 . 1 . . . . . . . . 5532 1 1040 . 1 1 86 86 ILE HG21 H 1 0.912 0.008 . 1 . . . . . . . . 5532 1 1041 . 1 1 86 86 ILE HG22 H 1 0.912 0.008 . 1 . . . . . . . . 5532 1 1042 . 1 1 86 86 ILE HG23 H 1 0.912 0.008 . 1 . . . . . . . . 5532 1 1043 . 1 1 87 87 CYS C C 13 172.680 0.000 . 1 . . . . . . . . 5532 1 1044 . 1 1 87 87 CYS CA C 13 57.503 0.019 . 1 . . . . . . . . 5532 1 1045 . 1 1 87 87 CYS CB C 13 30.862 0.033 . 1 . . . . . . . . 5532 1 1046 . 1 1 87 87 CYS HA H 1 5.355 0.005 . 1 . . . . . . . . 5532 1 1047 . 1 1 87 87 CYS HB2 H 1 2.769 0.006 . 1 . . . . . . . . 5532 1 1048 . 1 1 87 87 CYS HB3 H 1 2.314 0.009 . 1 . . . . . . . . 5532 1 1049 . 1 1 87 87 CYS HG H 1 1.802 0.006 . 1 . . . . . . . . 5532 1 1050 . 1 1 87 87 CYS H H 1 9.052 0.010 . 1 . . . . . . . . 5532 1 1051 . 1 1 87 87 CYS N N 15 125.801 0.032 . 1 . . . . . . . . 5532 1 1052 . 1 1 88 88 PHE C C 13 176.915 0.000 . 1 . . . . . . . . 5532 1 1053 . 1 1 88 88 PHE CA C 13 56.464 0.033 . 1 . . . . . . . . 5532 1 1054 . 1 1 88 88 PHE CB C 13 43.696 0.025 . 1 . . . . . . . . 5532 1 1055 . 1 1 88 88 PHE CD1 C 13 131.466 0.014 . 1 . . . . . . . . 5532 1 1056 . 1 1 88 88 PHE CE1 C 13 131.459 0.000 . 1 . . . . . . . . 5532 1 1057 . 1 1 88 88 PHE HA H 1 5.573 0.007 . 1 . . . . . . . . 5532 1 1058 . 1 1 88 88 PHE HB2 H 1 3.106 0.003 . 1 . . . . . . . . 5532 1 1059 . 1 1 88 88 PHE HB3 H 1 2.623 0.007 . 1 . . . . . . . . 5532 1 1060 . 1 1 88 88 PHE H H 1 9.238 0.016 . 1 . . . . . . . . 5532 1 1061 . 1 1 88 88 PHE N N 15 120.514 0.034 . 1 . . . . . . . . 5532 1 1062 . 1 1 88 88 PHE HD1 H 1 7.212 0.004 . 1 . . . . . . . . 5532 1 1063 . 1 1 88 88 PHE HE1 H 1 7.298 0.005 . 1 . . . . . . . . 5532 1 1064 . 1 1 89 89 VAL C C 13 175.214 0.000 . 1 . . . . . . . . 5532 1 1065 . 1 1 89 89 VAL CA C 13 61.209 0.000 . 1 . . . . . . . . 5532 1 1066 . 1 1 89 89 VAL CB C 13 33.181 0.055 . 1 . . . . . . . . 5532 1 1067 . 1 1 89 89 VAL CG1 C 13 21.381 0.059 . 1 . . . . . . . . 5532 1 1068 . 1 1 89 89 VAL CG2 C 13 21.678 0.034 . 1 . . . . . . . . 5532 1 1069 . 1 1 89 89 VAL HA H 1 4.803 0.019 . 1 . . . . . . . . 5532 1 1070 . 1 1 89 89 VAL HB H 1 1.795 0.007 . 1 . . . . . . . . 5532 1 1071 . 1 1 89 89 VAL H H 1 9.369 0.010 . 1 . . . . . . . . 5532 1 1072 . 1 1 89 89 VAL N N 15 117.807 0.024 . 1 . . . . . . . . 5532 1 1073 . 1 1 89 89 VAL HG11 H 1 0.834 0.004 . 1 . . . . . . . . 5532 1 1074 . 1 1 89 89 VAL HG12 H 1 0.834 0.004 . 1 . . . . . . . . 5532 1 1075 . 1 1 89 89 VAL HG13 H 1 0.834 0.004 . 1 . . . . . . . . 5532 1 1076 . 1 1 89 89 VAL HG21 H 1 0.761 0.003 . 1 . . . . . . . . 5532 1 1077 . 1 1 89 89 VAL HG22 H 1 0.761 0.003 . 1 . . . . . . . . 5532 1 1078 . 1 1 89 89 VAL HG23 H 1 0.761 0.003 . 1 . . . . . . . . 5532 1 1079 . 1 1 90 90 LYS CB C 13 31.407 0.033 . 1 . . . . . . . . 5532 1 1080 . 1 1 90 90 LYS CE C 13 41.082 0.017 . 1 . . . . . . . . 5532 1 1081 . 1 1 90 90 LYS CG C 13 23.037 0.047 . 1 . . . . . . . . 5532 1 1082 . 1 1 90 90 LYS HA H 1 4.814 0.024 . 1 . . . . . . . . 5532 1 1083 . 1 1 90 90 LYS HB2 H 1 1.306 0.006 . 1 . . . . . . . . 5532 1 1084 . 1 1 90 90 LYS HB3 H 1 1.617 0.003 . 1 . . . . . . . . 5532 1 1085 . 1 1 90 90 LYS HE2 H 1 2.718 0.005 . 1 . . . . . . . . 5532 1 1086 . 1 1 90 90 LYS HE3 H 1 2.900 0.002 . 1 . . . . . . . . 5532 1 1087 . 1 1 90 90 LYS HG2 H 1 1.078 0.007 . 1 . . . . . . . . 5532 1 1088 . 1 1 90 90 LYS HG3 H 1 1.266 0.010 . 1 . . . . . . . . 5532 1 1089 . 1 1 90 90 LYS H H 1 7.691 0.011 . 1 . . . . . . . . 5532 1 1090 . 1 1 90 90 LYS N N 15 125.599 0.017 . 1 . . . . . . . . 5532 1 1091 . 1 1 90 90 LYS HD2 H 1 1.530 0.000 . 1 . . . . . . . . 5532 1 1092 . 1 1 91 91 PRO C C 13 178.003 0.000 . 1 . . . . . . . . 5532 1 1093 . 1 1 91 91 PRO CA C 13 62.437 0.027 . 1 . . . . . . . . 5532 1 1094 . 1 1 91 91 PRO CB C 13 32.356 0.028 . 1 . . . . . . . . 5532 1 1095 . 1 1 91 91 PRO CD C 13 50.602 0.035 . 1 . . . . . . . . 5532 1 1096 . 1 1 91 91 PRO CG C 13 27.116 0.033 . 1 . . . . . . . . 5532 1 1097 . 1 1 91 91 PRO HA H 1 4.199 0.009 . 1 . . . . . . . . 5532 1 1098 . 1 1 91 91 PRO HB2 H 1 1.688 0.017 . 1 . . . . . . . . 5532 1 1099 . 1 1 91 91 PRO HB3 H 1 2.083 0.010 . 1 . . . . . . . . 5532 1 1100 . 1 1 91 91 PRO HD2 H 1 3.083 0.006 . 1 . . . . . . . . 5532 1 1101 . 1 1 91 91 PRO HD3 H 1 3.879 0.003 . 1 . . . . . . . . 5532 1 1102 . 1 1 91 91 PRO HG2 H 1 1.741 0.006 . 1 . . . . . . . . 5532 1 1103 . 1 1 91 91 PRO HG3 H 1 2.003 0.003 . 1 . . . . . . . . 5532 1 1104 . 1 1 92 92 THR C C 13 176.196 0.000 . 1 . . . . . . . . 5532 1 1105 . 1 1 92 92 THR CA C 13 60.425 0.034 . 1 . . . . . . . . 5532 1 1106 . 1 1 92 92 THR CG2 C 13 22.136 0.032 . 1 . . . . . . . . 5532 1 1107 . 1 1 92 92 THR HA H 1 4.562 0.007 . 1 . . . . . . . . 5532 1 1108 . 1 1 92 92 THR HB H 1 4.740 0.011 . 1 . . . . . . . . 5532 1 1109 . 1 1 92 92 THR H H 1 7.214 0.012 . 1 . . . . . . . . 5532 1 1110 . 1 1 92 92 THR N N 15 111.720 0.030 . 1 . . . . . . . . 5532 1 1111 . 1 1 92 92 THR HG21 H 1 1.255 0.010 . 1 . . . . . . . . 5532 1 1112 . 1 1 92 92 THR HG22 H 1 1.255 0.010 . 1 . . . . . . . . 5532 1 1113 . 1 1 92 92 THR HG23 H 1 1.255 0.010 . 1 . . . . . . . . 5532 1 1114 . 1 1 93 93 SER C C 13 175.108 0.000 . 1 . . . . . . . . 5532 1 1115 . 1 1 93 93 SER CA C 13 60.748 0.028 . 1 . . . . . . . . 5532 1 1116 . 1 1 93 93 SER CB C 13 62.788 0.030 . 1 . . . . . . . . 5532 1 1117 . 1 1 93 93 SER HA H 1 4.237 0.005 . 1 . . . . . . . . 5532 1 1118 . 1 1 93 93 SER HB2 H 1 3.936 0.006 . 1 . . . . . . . . 5532 1 1119 . 1 1 93 93 SER HB3 H 1 4.017 0.007 . 1 . . . . . . . . 5532 1 1120 . 1 1 93 93 SER H H 1 8.819 0.010 . 1 . . . . . . . . 5532 1 1121 . 1 1 93 93 SER N N 15 113.267 0.006 . 1 . . . . . . . . 5532 1 1122 . 1 1 94 94 SER C C 13 173.169 0.000 . 1 . . . . . . . . 5532 1 1123 . 1 1 94 94 SER CA C 13 57.683 0.025 . 1 . . . . . . . . 5532 1 1124 . 1 1 94 94 SER CB C 13 63.169 0.024 . 1 . . . . . . . . 5532 1 1125 . 1 1 94 94 SER HA H 1 4.611 0.005 . 1 . . . . . . . . 5532 1 1126 . 1 1 94 94 SER HB2 H 1 3.844 0.008 . 1 . . . . . . . . 5532 1 1127 . 1 1 94 94 SER HB3 H 1 4.037 0.003 . 1 . . . . . . . . 5532 1 1128 . 1 1 94 94 SER H H 1 7.626 0.011 . 1 . . . . . . . . 5532 1 1129 . 1 1 94 94 SER N N 15 114.250 0.035 . 1 . . . . . . . . 5532 1 1130 . 1 1 95 95 MET C C 13 174.335 0.000 . 1 . . . . . . . . 5532 1 1131 . 1 1 95 95 MET CA C 13 54.540 0.038 . 1 . . . . . . . . 5532 1 1132 . 1 1 95 95 MET CB C 13 36.408 0.062 . 1 . . . . . . . . 5532 1 1133 . 1 1 95 95 MET CE C 13 17.445 0.042 . 1 . . . . . . . . 5532 1 1134 . 1 1 95 95 MET CG C 13 32.557 0.041 . 1 . . . . . . . . 5532 1 1135 . 1 1 95 95 MET HA H 1 5.248 0.011 . 1 . . . . . . . . 5532 1 1136 . 1 1 95 95 MET HB2 H 1 1.769 0.008 . 1 . . . . . . . . 5532 1 1137 . 1 1 95 95 MET HB3 H 1 1.623 0.004 . 1 . . . . . . . . 5532 1 1138 . 1 1 95 95 MET HG2 H 1 2.107 0.007 . 1 . . . . . . . . 5532 1 1139 . 1 1 95 95 MET HG3 H 1 2.515 0.008 . 1 . . . . . . . . 5532 1 1140 . 1 1 95 95 MET H H 1 7.650 0.008 . 1 . . . . . . . . 5532 1 1141 . 1 1 95 95 MET N N 15 119.972 0.026 . 1 . . . . . . . . 5532 1 1142 . 1 1 95 95 MET HE1 H 1 1.747 0.012 . 1 . . . . . . . . 5532 1 1143 . 1 1 95 95 MET HE2 H 1 1.747 0.012 . 1 . . . . . . . . 5532 1 1144 . 1 1 95 95 MET HE3 H 1 1.747 0.012 . 1 . . . . . . . . 5532 1 1145 . 1 1 96 96 THR C C 13 173.353 0.000 . 1 . . . . . . . . 5532 1 1146 . 1 1 96 96 THR CA C 13 59.752 0.029 . 1 . . . . . . . . 5532 1 1147 . 1 1 96 96 THR CB C 13 71.223 0.014 . 1 . . . . . . . . 5532 1 1148 . 1 1 96 96 THR CG2 C 13 20.805 0.026 . 1 . . . . . . . . 5532 1 1149 . 1 1 96 96 THR HA H 1 4.516 0.008 . 1 . . . . . . . . 5532 1 1150 . 1 1 96 96 THR HB H 1 3.631 0.004 . 1 . . . . . . . . 5532 1 1151 . 1 1 96 96 THR H H 1 8.749 0.013 . 1 . . . . . . . . 5532 1 1152 . 1 1 96 96 THR N N 15 113.858 0.041 . 1 . . . . . . . . 5532 1 1153 . 1 1 96 96 THR HG21 H 1 1.088 0.005 . 1 . . . . . . . . 5532 1 1154 . 1 1 96 96 THR HG22 H 1 1.088 0.005 . 1 . . . . . . . . 5532 1 1155 . 1 1 96 96 THR HG23 H 1 1.088 0.005 . 1 . . . . . . . . 5532 1 1156 . 1 1 97 97 ILE C C 13 175.562 0.000 . 1 . . . . . . . . 5532 1 1157 . 1 1 97 97 ILE CA C 13 61.175 0.015 . 1 . . . . . . . . 5532 1 1158 . 1 1 97 97 ILE CB C 13 39.270 0.032 . 1 . . . . . . . . 5532 1 1159 . 1 1 97 97 ILE CD1 C 13 13.195 0.015 . 1 . . . . . . . . 5532 1 1160 . 1 1 97 97 ILE CG1 C 13 28.988 0.029 . 1 . . . . . . . . 5532 1 1161 . 1 1 97 97 ILE CG2 C 13 17.225 0.017 . 1 . . . . . . . . 5532 1 1162 . 1 1 97 97 ILE HA H 1 4.354 0.005 . 1 . . . . . . . . 5532 1 1163 . 1 1 97 97 ILE HB H 1 1.608 0.007 . 1 . . . . . . . . 5532 1 1164 . 1 1 97 97 ILE HG12 H 1 0.724 0.004 . 1 . . . . . . . . 5532 1 1165 . 1 1 97 97 ILE HG13 H 1 1.537 0.004 . 1 . . . . . . . . 5532 1 1166 . 1 1 97 97 ILE H H 1 8.479 0.009 . 1 . . . . . . . . 5532 1 1167 . 1 1 97 97 ILE N N 15 125.279 0.013 . 1 . . . . . . . . 5532 1 1168 . 1 1 97 97 ILE HD11 H 1 0.715 0.012 . 1 . . . . . . . . 5532 1 1169 . 1 1 97 97 ILE HD12 H 1 0.715 0.012 . 1 . . . . . . . . 5532 1 1170 . 1 1 97 97 ILE HD13 H 1 0.715 0.012 . 1 . . . . . . . . 5532 1 1171 . 1 1 97 97 ILE HG21 H 1 0.783 0.005 . 1 . . . . . . . . 5532 1 1172 . 1 1 97 97 ILE HG22 H 1 0.783 0.005 . 1 . . . . . . . . 5532 1 1173 . 1 1 97 97 ILE HG23 H 1 0.783 0.005 . 1 . . . . . . . . 5532 1 1174 . 1 1 98 98 LYS C C 13 174.653 0.000 . 1 . . . . . . . . 5532 1 1175 . 1 1 98 98 LYS CA C 13 53.431 0.020 . 1 . . . . . . . . 5532 1 1176 . 1 1 98 98 LYS CB C 13 32.376 0.030 . 1 . . . . . . . . 5532 1 1177 . 1 1 98 98 LYS CD C 13 28.509 0.044 . 1 . . . . . . . . 5532 1 1178 . 1 1 98 98 LYS CG C 13 24.632 0.058 . 1 . . . . . . . . 5532 1 1179 . 1 1 98 98 LYS HA H 1 4.613 0.011 . 1 . . . . . . . . 5532 1 1180 . 1 1 98 98 LYS HB2 H 1 1.442 0.005 . 1 . . . . . . . . 5532 1 1181 . 1 1 98 98 LYS HB3 H 1 1.941 0.008 . 1 . . . . . . . . 5532 1 1182 . 1 1 98 98 LYS HG2 H 1 1.261 0.005 . 1 . . . . . . . . 5532 1 1183 . 1 1 98 98 LYS HG3 H 1 1.450 0.006 . 1 . . . . . . . . 5532 1 1184 . 1 1 98 98 LYS H H 1 8.114 0.013 . 1 . . . . . . . . 5532 1 1185 . 1 1 98 98 LYS N N 15 131.532 0.012 . 1 . . . . . . . . 5532 1 1186 . 1 1 98 98 LYS HD2 H 1 1.615 0.007 . 1 . . . . . . . . 5532 1 1187 . 1 1 98 98 LYS HE2 H 1 2.850 0.005 . 1 . . . . . . . . 5532 1 1188 . 1 1 99 99 THR C C 13 175.100 0.000 . 1 . . . . . . . . 5532 1 1189 . 1 1 99 99 THR CA C 13 61.670 0.039 . 1 . . . . . . . . 5532 1 1190 . 1 1 99 99 THR CB C 13 69.720 0.039 . 1 . . . . . . . . 5532 1 1191 . 1 1 99 99 THR CG2 C 13 21.705 0.050 . 1 . . . . . . . . 5532 1 1192 . 1 1 99 99 THR HA H 1 4.105 0.003 . 1 . . . . . . . . 5532 1 1193 . 1 1 99 99 THR HB H 1 4.345 0.003 . 1 . . . . . . . . 5532 1 1194 . 1 1 99 99 THR H H 1 8.078 0.010 . 1 . . . . . . . . 5532 1 1195 . 1 1 99 99 THR N N 15 117.373 0.016 . 1 . . . . . . . . 5532 1 1196 . 1 1 99 99 THR HG21 H 1 1.089 0.005 . 1 . . . . . . . . 5532 1 1197 . 1 1 99 99 THR HG22 H 1 1.089 0.005 . 1 . . . . . . . . 5532 1 1198 . 1 1 99 99 THR HG23 H 1 1.089 0.005 . 1 . . . . . . . . 5532 1 1199 . 1 1 100 100 GLY C C 13 173.749 0.000 . 1 . . . . . . . . 5532 1 1200 . 1 1 100 100 GLY CA C 13 45.731 0.043 . 1 . . . . . . . . 5532 1 1201 . 1 1 100 100 GLY HA2 H 1 4.051 0.013 . 1 . . . . . . . . 5532 1 1202 . 1 1 100 100 GLY HA3 H 1 4.149 0.014 . 1 . . . . . . . . 5532 1 1203 . 1 1 100 100 GLY H H 1 8.752 0.011 . 1 . . . . . . . . 5532 1 1204 . 1 1 100 100 GLY N N 15 108.438 0.027 . 1 . . . . . . . . 5532 1 1205 . 1 1 101 101 LYS C C 13 178.027 0.000 . 1 . . . . . . . . 5532 1 1206 . 1 1 101 101 LYS CA C 13 58.325 0.018 . 1 . . . . . . . . 5532 1 1207 . 1 1 101 101 LYS CB C 13 32.111 0.032 . 1 . . . . . . . . 5532 1 1208 . 1 1 101 101 LYS CD C 13 28.753 0.012 . 1 . . . . . . . . 5532 1 1209 . 1 1 101 101 LYS CE C 13 41.689 0.000 . 1 . . . . . . . . 5532 1 1210 . 1 1 101 101 LYS CG C 13 24.281 0.052 . 1 . . . . . . . . 5532 1 1211 . 1 1 101 101 LYS HA H 1 3.883 0.007 . 1 . . . . . . . . 5532 1 1212 . 1 1 101 101 LYS HB2 H 1 1.320 0.003 . 1 . . . . . . . . 5532 1 1213 . 1 1 101 101 LYS HB3 H 1 1.392 0.005 . 1 . . . . . . . . 5532 1 1214 . 1 1 101 101 LYS HG2 H 1 1.049 0.006 . 1 . . . . . . . . 5532 1 1215 . 1 1 101 101 LYS HG3 H 1 1.183 0.006 . 1 . . . . . . . . 5532 1 1216 . 1 1 101 101 LYS H H 1 8.756 0.009 . 1 . . . . . . . . 5532 1 1217 . 1 1 101 101 LYS N N 15 121.126 0.047 . 1 . . . . . . . . 5532 1 1218 . 1 1 101 101 LYS HD2 H 1 1.544 0.005 . 1 . . . . . . . . 5532 1 1219 . 1 1 101 101 LYS HE2 H 1 2.894 0.005 . 1 . . . . . . . . 5532 1 1220 . 1 1 102 102 HIS C C 13 173.801 0.000 . 1 . . . . . . . . 5532 1 1221 . 1 1 102 102 HIS CA C 13 55.026 0.017 . 1 . . . . . . . . 5532 1 1222 . 1 1 102 102 HIS CB C 13 29.707 0.040 . 1 . . . . . . . . 5532 1 1223 . 1 1 102 102 HIS CD2 C 13 120.608 0.032 . 1 . . . . . . . . 5532 1 1224 . 1 1 102 102 HIS CE1 C 13 135.968 0.019 . 1 . . . . . . . . 5532 1 1225 . 1 1 102 102 HIS HA H 1 5.684 0.008 . 1 . . . . . . . . 5532 1 1226 . 1 1 102 102 HIS HB2 H 1 3.235 0.008 . 1 . . . . . . . . 5532 1 1227 . 1 1 102 102 HIS HB3 H 1 3.820 0.012 . 1 . . . . . . . . 5532 1 1228 . 1 1 102 102 HIS HD2 H 1 7.666 0.005 . 1 . . . . . . . . 5532 1 1229 . 1 1 102 102 HIS HE1 H 1 8.746 0.001 . 1 . . . . . . . . 5532 1 1230 . 1 1 102 102 HIS H H 1 8.935 0.010 . 1 . . . . . . . . 5532 1 1231 . 1 1 102 102 HIS N N 15 111.363 0.023 . 1 . . . . . . . . 5532 1 1232 . 1 1 103 103 VAL C C 13 174.096 0.000 . 1 . . . . . . . . 5532 1 1233 . 1 1 103 103 VAL CA C 13 60.625 0.022 . 1 . . . . . . . . 5532 1 1234 . 1 1 103 103 VAL CB C 13 35.606 0.032 . 1 . . . . . . . . 5532 1 1235 . 1 1 103 103 VAL CG1 C 13 21.284 0.020 . 1 . . . . . . . . 5532 1 1236 . 1 1 103 103 VAL CG2 C 13 21.794 0.034 . 1 . . . . . . . . 5532 1 1237 . 1 1 103 103 VAL HA H 1 5.424 0.003 . 1 . . . . . . . . 5532 1 1238 . 1 1 103 103 VAL HB H 1 2.038 0.005 . 1 . . . . . . . . 5532 1 1239 . 1 1 103 103 VAL H H 1 7.173 0.012 . 1 . . . . . . . . 5532 1 1240 . 1 1 103 103 VAL N N 15 118.309 0.008 . 1 . . . . . . . . 5532 1 1241 . 1 1 103 103 VAL HG11 H 1 0.950 0.009 . 1 . . . . . . . . 5532 1 1242 . 1 1 103 103 VAL HG12 H 1 0.950 0.009 . 1 . . . . . . . . 5532 1 1243 . 1 1 103 103 VAL HG13 H 1 0.950 0.009 . 1 . . . . . . . . 5532 1 1244 . 1 1 103 103 VAL HG21 H 1 0.974 0.004 . 1 . . . . . . . . 5532 1 1245 . 1 1 103 103 VAL HG22 H 1 0.974 0.004 . 1 . . . . . . . . 5532 1 1246 . 1 1 103 103 VAL HG23 H 1 0.974 0.004 . 1 . . . . . . . . 5532 1 1247 . 1 1 104 104 ASP C C 13 177.977 0.000 . 1 . . . . . . . . 5532 1 1248 . 1 1 104 104 ASP CA C 13 51.695 0.036 . 1 . . . . . . . . 5532 1 1249 . 1 1 104 104 ASP CB C 13 42.803 0.027 . 1 . . . . . . . . 5532 1 1250 . 1 1 104 104 ASP HA H 1 5.104 0.004 . 1 . . . . . . . . 5532 1 1251 . 1 1 104 104 ASP HB2 H 1 2.855 0.004 . 1 . . . . . . . . 5532 1 1252 . 1 1 104 104 ASP HB3 H 1 3.426 0.003 . 1 . . . . . . . . 5532 1 1253 . 1 1 104 104 ASP H H 1 8.368 0.011 . 1 . . . . . . . . 5532 1 1254 . 1 1 104 104 ASP N N 15 125.210 0.024 . 1 . . . . . . . . 5532 1 1255 . 1 1 105 105 ALA C C 13 178.684 0.000 . 1 . . . . . . . . 5532 1 1256 . 1 1 105 105 ALA CA C 13 54.468 0.049 . 1 . . . . . . . . 5532 1 1257 . 1 1 105 105 ALA CB C 13 18.387 0.012 . 1 . . . . . . . . 5532 1 1258 . 1 1 105 105 ALA HA H 1 3.868 0.006 . 1 . . . . . . . . 5532 1 1259 . 1 1 105 105 ALA H H 1 8.355 0.013 . 1 . . . . . . . . 5532 1 1260 . 1 1 105 105 ALA N N 15 117.823 0.014 . 1 . . . . . . . . 5532 1 1261 . 1 1 105 105 ALA HB1 H 1 1.395 0.003 . 1 . . . . . . . . 5532 1 1262 . 1 1 105 105 ALA HB2 H 1 1.395 0.003 . 1 . . . . . . . . 5532 1 1263 . 1 1 105 105 ALA HB3 H 1 1.395 0.003 . 1 . . . . . . . . 5532 1 1264 . 1 1 106 106 ASN C C 13 175.885 0.000 . 1 . . . . . . . . 5532 1 1265 . 1 1 106 106 ASN CA C 13 52.901 0.033 . 1 . . . . . . . . 5532 1 1266 . 1 1 106 106 ASN CB C 13 38.869 0.029 . 1 . . . . . . . . 5532 1 1267 . 1 1 106 106 ASN HA H 1 4.833 0.005 . 1 . . . . . . . . 5532 1 1268 . 1 1 106 106 ASN HB2 H 1 3.066 0.011 . 1 . . . . . . . . 5532 1 1269 . 1 1 106 106 ASN HB3 H 1 3.089 0.005 . 1 . . . . . . . . 5532 1 1270 . 1 1 106 106 ASN HD21 H 1 8.042 0.011 . 1 . . . . . . . . 5532 1 1271 . 1 1 106 106 ASN HD22 H 1 6.986 0.011 . 1 . . . . . . . . 5532 1 1272 . 1 1 106 106 ASN H H 1 8.142 0.011 . 1 . . . . . . . . 5532 1 1273 . 1 1 106 106 ASN N N 15 113.583 0.020 . 1 . . . . . . . . 5532 1 1274 . 1 1 106 106 ASN ND2 N 15 114.207 0.017 . 1 . . . . . . . . 5532 1 1275 . 1 1 107 107 GLY C C 13 172.659 0.000 . 1 . . . . . . . . 5532 1 1276 . 1 1 107 107 GLY CA C 13 45.325 0.039 . 1 . . . . . . . . 5532 1 1277 . 1 1 107 107 GLY HA2 H 1 3.514 0.004 . 1 . . . . . . . . 5532 1 1278 . 1 1 107 107 GLY HA3 H 1 4.358 0.006 . 1 . . . . . . . . 5532 1 1279 . 1 1 107 107 GLY H H 1 8.748 0.011 . 1 . . . . . . . . 5532 1 1280 . 1 1 107 107 GLY N N 15 109.734 0.013 . 1 . . . . . . . . 5532 1 1281 . 1 1 108 108 LYS C C 13 175.105 0.000 . 1 . . . . . . . . 5532 1 1282 . 1 1 108 108 LYS CA C 13 57.306 0.052 . 1 . . . . . . . . 5532 1 1283 . 1 1 108 108 LYS CB C 13 32.081 0.020 . 1 . . . . . . . . 5532 1 1284 . 1 1 108 108 LYS CD C 13 29.176 0.031 . 1 . . . . . . . . 5532 1 1285 . 1 1 108 108 LYS CE C 13 42.282 0.022 . 1 . . . . . . . . 5532 1 1286 . 1 1 108 108 LYS HA H 1 3.801 0.006 . 1 . . . . . . . . 5532 1 1287 . 1 1 108 108 LYS HB2 H 1 1.379 0.008 . 1 . . . . . . . . 5532 1 1288 . 1 1 108 108 LYS HB3 H 1 1.940 0.006 . 1 . . . . . . . . 5532 1 1289 . 1 1 108 108 LYS HE2 H 1 2.655 0.006 . 1 . . . . . . . . 5532 1 1290 . 1 1 108 108 LYS HE3 H 1 2.746 0.005 . 1 . . . . . . . . 5532 1 1291 . 1 1 108 108 LYS H H 1 8.392 0.009 . 1 . . . . . . . . 5532 1 1292 . 1 1 108 108 LYS N N 15 124.476 0.035 . 1 . . . . . . . . 5532 1 1293 . 1 1 108 108 LYS HD2 H 1 1.492 0.004 . 1 . . . . . . . . 5532 1 1294 . 1 1 108 108 LYS HG2 H 1 0.575 0.008 . 1 . . . . . . . . 5532 1 1295 . 1 1 109 109 ILE C C 13 175.356 0.000 . 1 . . . . . . . . 5532 1 1296 . 1 1 109 109 ILE CA C 13 59.320 0.064 . 1 . . . . . . . . 5532 1 1297 . 1 1 109 109 ILE CB C 13 39.381 0.034 . 1 . . . . . . . . 5532 1 1298 . 1 1 109 109 ILE CD1 C 13 13.767 0.061 . 1 . . . . . . . . 5532 1 1299 . 1 1 109 109 ILE CG1 C 13 28.043 0.036 . 1 . . . . . . . . 5532 1 1300 . 1 1 109 109 ILE CG2 C 13 17.077 0.016 . 1 . . . . . . . . 5532 1 1301 . 1 1 109 109 ILE HA H 1 4.968 0.005 . 1 . . . . . . . . 5532 1 1302 . 1 1 109 109 ILE HB H 1 1.329 0.009 . 1 . . . . . . . . 5532 1 1303 . 1 1 109 109 ILE HG12 H 1 1.157 0.010 . 1 . . . . . . . . 5532 1 1304 . 1 1 109 109 ILE HG13 H 1 1.808 0.007 . 1 . . . . . . . . 5532 1 1305 . 1 1 109 109 ILE H H 1 7.762 0.011 . 1 . . . . . . . . 5532 1 1306 . 1 1 109 109 ILE N N 15 125.129 0.018 . 1 . . . . . . . . 5532 1 1307 . 1 1 109 109 ILE HD11 H 1 0.862 0.005 . 1 . . . . . . . . 5532 1 1308 . 1 1 109 109 ILE HD12 H 1 0.862 0.005 . 1 . . . . . . . . 5532 1 1309 . 1 1 109 109 ILE HD13 H 1 0.862 0.005 . 1 . . . . . . . . 5532 1 1310 . 1 1 109 109 ILE HG21 H 1 0.904 0.003 . 1 . . . . . . . . 5532 1 1311 . 1 1 109 109 ILE HG22 H 1 0.904 0.003 . 1 . . . . . . . . 5532 1 1312 . 1 1 109 109 ILE HG23 H 1 0.904 0.003 . 1 . . . . . . . . 5532 1 1313 . 1 1 110 110 TYR CA C 13 56.819 0.000 . 1 . . . . . . . . 5532 1 1314 . 1 1 110 110 TYR CB C 13 39.905 0.046 . 1 . . . . . . . . 5532 1 1315 . 1 1 110 110 TYR CD1 C 13 133.826 0.038 . 1 . . . . . . . . 5532 1 1316 . 1 1 110 110 TYR HA H 1 4.656 0.012 . 1 . . . . . . . . 5532 1 1317 . 1 1 110 110 TYR H H 1 8.728 0.013 . 1 . . . . . . . . 5532 1 1318 . 1 1 110 110 TYR N N 15 127.282 0.031 . 1 . . . . . . . . 5532 1 1319 . 1 1 110 110 TYR HB2 H 1 2.949 0.009 . 1 . . . . . . . . 5532 1 1320 . 1 1 110 110 TYR HD1 H 1 7.021 0.009 . 1 . . . . . . . . 5532 1 1321 . 1 1 110 110 TYR HE1 H 1 6.670 0.004 . 1 . . . . . . . . 5532 1 1322 . 1 1 111 111 LEU CA C 13 51.437 0.055 . 1 . . . . . . . . 5532 1 1323 . 1 1 111 111 LEU CD1 C 13 26.390 0.056 . 1 . . . . . . . . 5532 1 1324 . 1 1 111 111 LEU CD2 C 13 23.463 0.050 . 1 . . . . . . . . 5532 1 1325 . 1 1 111 111 LEU HA H 1 5.009 0.005 . 1 . . . . . . . . 5532 1 1326 . 1 1 111 111 LEU HD11 H 1 0.598 0.004 . 1 . . . . . . . . 5532 1 1327 . 1 1 111 111 LEU HD12 H 1 0.598 0.004 . 1 . . . . . . . . 5532 1 1328 . 1 1 111 111 LEU HD13 H 1 0.598 0.004 . 1 . . . . . . . . 5532 1 1329 . 1 1 111 111 LEU HD21 H 1 0.686 0.002 . 1 . . . . . . . . 5532 1 1330 . 1 1 111 111 LEU HD22 H 1 0.686 0.002 . 1 . . . . . . . . 5532 1 1331 . 1 1 111 111 LEU HD23 H 1 0.686 0.002 . 1 . . . . . . . . 5532 1 1332 . 1 1 112 112 PRO C C 13 177.876 0.000 . 1 . . . . . . . . 5532 1 1333 . 1 1 112 112 PRO CA C 13 65.802 0.019 . 1 . . . . . . . . 5532 1 1334 . 1 1 112 112 PRO CB C 13 31.017 0.063 . 1 . . . . . . . . 5532 1 1335 . 1 1 112 112 PRO CD C 13 50.498 0.063 . 1 . . . . . . . . 5532 1 1336 . 1 1 112 112 PRO CG C 13 27.773 0.033 . 1 . . . . . . . . 5532 1 1337 . 1 1 112 112 PRO HA H 1 4.387 0.004 . 1 . . . . . . . . 5532 1 1338 . 1 1 112 112 PRO HB2 H 1 2.449 0.004 . 1 . . . . . . . . 5532 1 1339 . 1 1 112 112 PRO HB3 H 1 2.143 0.010 . 1 . . . . . . . . 5532 1 1340 . 1 1 112 112 PRO HD2 H 1 3.993 0.005 . 1 . . . . . . . . 5532 1 1341 . 1 1 112 112 PRO HD3 H 1 3.788 0.009 . 1 . . . . . . . . 5532 1 1342 . 1 1 112 112 PRO HG2 H 1 2.292 0.006 . 1 . . . . . . . . 5532 1 1343 . 1 1 113 113 TYR C C 13 178.602 0.000 . 1 . . . . . . . . 5532 1 1344 . 1 1 113 113 TYR CA C 13 61.169 0.017 . 1 . . . . . . . . 5532 1 1345 . 1 1 113 113 TYR CB C 13 40.180 0.045 . 1 . . . . . . . . 5532 1 1346 . 1 1 113 113 TYR CD1 C 13 133.557 0.039 . 1 . . . . . . . . 5532 1 1347 . 1 1 113 113 TYR HA H 1 3.845 0.006 . 1 . . . . . . . . 5532 1 1348 . 1 1 113 113 TYR HB2 H 1 3.361 0.004 . 1 . . . . . . . . 5532 1 1349 . 1 1 113 113 TYR HB3 H 1 2.456 0.008 . 1 . . . . . . . . 5532 1 1350 . 1 1 113 113 TYR H H 1 8.232 0.023 . 1 . . . . . . . . 5532 1 1351 . 1 1 113 113 TYR N N 15 114.898 0.036 . 1 . . . . . . . . 5532 1 1352 . 1 1 113 113 TYR HD1 H 1 7.015 0.005 . 1 . . . . . . . . 5532 1 1353 . 1 1 114 114 LEU C C 13 178.463 0.000 . 1 . . . . . . . . 5532 1 1354 . 1 1 114 114 LEU CA C 13 56.739 0.026 . 1 . . . . . . . . 5532 1 1355 . 1 1 114 114 LEU CB C 13 42.041 0.030 . 1 . . . . . . . . 5532 1 1356 . 1 1 114 114 LEU CD1 C 13 24.001 0.037 . 1 . . . . . . . . 5532 1 1357 . 1 1 114 114 LEU CD2 C 13 25.684 0.071 . 1 . . . . . . . . 5532 1 1358 . 1 1 114 114 LEU HA H 1 4.536 0.006 . 1 . . . . . . . . 5532 1 1359 . 1 1 114 114 LEU HB2 H 1 2.337 0.008 . 1 . . . . . . . . 5532 1 1360 . 1 1 114 114 LEU HB3 H 1 1.716 0.007 . 1 . . . . . . . . 5532 1 1361 . 1 1 114 114 LEU HG H 1 1.341 0.000 . 1 . . . . . . . . 5532 1 1362 . 1 1 114 114 LEU H H 1 7.130 0.011 . 1 . . . . . . . . 5532 1 1363 . 1 1 114 114 LEU N N 15 112.171 0.030 . 1 . . . . . . . . 5532 1 1364 . 1 1 114 114 LEU HD11 H 1 1.069 0.003 . 1 . . . . . . . . 5532 1 1365 . 1 1 114 114 LEU HD12 H 1 1.069 0.003 . 1 . . . . . . . . 5532 1 1366 . 1 1 114 114 LEU HD13 H 1 1.069 0.003 . 1 . . . . . . . . 5532 1 1367 . 1 1 114 114 LEU HD21 H 1 0.992 0.009 . 1 . . . . . . . . 5532 1 1368 . 1 1 114 114 LEU HD22 H 1 0.992 0.009 . 1 . . . . . . . . 5532 1 1369 . 1 1 114 114 LEU HD23 H 1 0.992 0.009 . 1 . . . . . . . . 5532 1 1370 . 1 1 115 115 HIS C C 13 176.281 0.000 . 1 . . . . . . . . 5532 1 1371 . 1 1 115 115 HIS CA C 13 58.733 0.058 . 1 . . . . . . . . 5532 1 1372 . 1 1 115 115 HIS CB C 13 28.934 0.037 . 1 . . . . . . . . 5532 1 1373 . 1 1 115 115 HIS CD2 C 13 120.507 0.024 . 1 . . . . . . . . 5532 1 1374 . 1 1 115 115 HIS CE1 C 13 136.906 0.010 . 1 . . . . . . . . 5532 1 1375 . 1 1 115 115 HIS HA H 1 4.433 0.008 . 1 . . . . . . . . 5532 1 1376 . 1 1 115 115 HIS HD2 H 1 7.433 0.003 . 1 . . . . . . . . 5532 1 1377 . 1 1 115 115 HIS HE1 H 1 8.636 0.002 . 1 . . . . . . . . 5532 1 1378 . 1 1 115 115 HIS H H 1 7.997 0.011 . 1 . . . . . . . . 5532 1 1379 . 1 1 115 115 HIS N N 15 119.336 0.029 . 1 . . . . . . . . 5532 1 1380 . 1 1 115 115 HIS HB2 H 1 3.387 0.009 . 1 . . . . . . . . 5532 1 1381 . 1 1 116 116 GLU C C 13 174.638 0.000 . 1 . . . . . . . . 5532 1 1382 . 1 1 116 116 GLU CA C 13 54.346 0.025 . 1 . . . . . . . . 5532 1 1383 . 1 1 116 116 GLU CB C 13 28.244 0.087 . 1 . . . . . . . . 5532 1 1384 . 1 1 116 116 GLU CG C 13 34.996 0.027 . 1 . . . . . . . . 5532 1 1385 . 1 1 116 116 GLU HA H 1 4.261 0.007 . 1 . . . . . . . . 5532 1 1386 . 1 1 116 116 GLU HB2 H 1 1.646 0.005 . 1 . . . . . . . . 5532 1 1387 . 1 1 116 116 GLU HB3 H 1 2.139 0.007 . 1 . . . . . . . . 5532 1 1388 . 1 1 116 116 GLU H H 1 8.358 0.012 . 1 . . . . . . . . 5532 1 1389 . 1 1 116 116 GLU N N 15 115.266 0.032 . 1 . . . . . . . . 5532 1 1390 . 1 1 116 116 GLU HG2 H 1 2.312 0.007 . 1 . . . . . . . . 5532 1 1391 . 1 1 117 117 TRP C C 13 176.164 0.000 . 1 . . . . . . . . 5532 1 1392 . 1 1 117 117 TRP CA C 13 58.611 0.038 . 1 . . . . . . . . 5532 1 1393 . 1 1 117 117 TRP CB C 13 29.768 0.039 . 1 . . . . . . . . 5532 1 1394 . 1 1 117 117 TRP CD1 C 13 126.520 0.013 . 1 . . . . . . . . 5532 1 1395 . 1 1 117 117 TRP CH2 C 13 123.550 0.075 . 1 . . . . . . . . 5532 1 1396 . 1 1 117 117 TRP CZ2 C 13 116.448 0.029 . 1 . . . . . . . . 5532 1 1397 . 1 1 117 117 TRP HA H 1 3.709 0.008 . 1 . . . . . . . . 5532 1 1398 . 1 1 117 117 TRP HB2 H 1 2.978 0.007 . 1 . . . . . . . . 5532 1 1399 . 1 1 117 117 TRP HB3 H 1 3.552 0.009 . 1 . . . . . . . . 5532 1 1400 . 1 1 117 117 TRP HD1 H 1 6.728 0.004 . 1 . . . . . . . . 5532 1 1401 . 1 1 117 117 TRP HE1 H 1 10.191 0.020 . 1 . . . . . . . . 5532 1 1402 . 1 1 117 117 TRP HH2 H 1 7.063 0.003 . 1 . . . . . . . . 5532 1 1403 . 1 1 117 117 TRP H H 1 6.768 0.008 . 1 . . . . . . . . 5532 1 1404 . 1 1 117 117 TRP HZ2 H 1 7.533 0.006 . 1 . . . . . . . . 5532 1 1405 . 1 1 117 117 TRP HZ3 H 1 6.633 0.000 . 1 . . . . . . . . 5532 1 1406 . 1 1 117 117 TRP N N 15 121.625 0.032 . 1 . . . . . . . . 5532 1 1407 . 1 1 117 117 TRP NE1 N 15 130.988 0.019 . 1 . . . . . . . . 5532 1 1408 . 1 1 118 118 LYS C C 13 174.415 0.000 . 1 . . . . . . . . 5532 1 1409 . 1 1 118 118 LYS CA C 13 55.371 0.027 . 1 . . . . . . . . 5532 1 1410 . 1 1 118 118 LYS CB C 13 34.480 0.038 . 1 . . . . . . . . 5532 1 1411 . 1 1 118 118 LYS CD C 13 28.998 0.042 . 1 . . . . . . . . 5532 1 1412 . 1 1 118 118 LYS CE C 13 41.867 0.076 . 1 . . . . . . . . 5532 1 1413 . 1 1 118 118 LYS CG C 13 23.867 0.020 . 1 . . . . . . . . 5532 1 1414 . 1 1 118 118 LYS HA H 1 4.420 0.007 . 1 . . . . . . . . 5532 1 1415 . 1 1 118 118 LYS HB2 H 1 1.568 0.005 . 1 . . . . . . . . 5532 1 1416 . 1 1 118 118 LYS HB3 H 1 1.595 0.003 . 1 . . . . . . . . 5532 1 1417 . 1 1 118 118 LYS HG2 H 1 1.258 0.013 . 1 . . . . . . . . 5532 1 1418 . 1 1 118 118 LYS HG3 H 1 1.308 0.003 . 1 . . . . . . . . 5532 1 1419 . 1 1 118 118 LYS H H 1 8.107 0.010 . 1 . . . . . . . . 5532 1 1420 . 1 1 118 118 LYS N N 15 128.751 0.022 . 1 . . . . . . . . 5532 1 1421 . 1 1 118 118 LYS HD2 H 1 1.583 0.005 . 1 . . . . . . . . 5532 1 1422 . 1 1 118 118 LYS HE2 H 1 2.916 0.007 . 1 . . . . . . . . 5532 1 1423 . 1 1 119 119 HIS CA C 13 53.915 0.050 . 1 . . . . . . . . 5532 1 1424 . 1 1 119 119 HIS CB C 13 28.320 0.031 . 1 . . . . . . . . 5532 1 1425 . 1 1 119 119 HIS CD2 C 13 120.760 0.020 . 1 . . . . . . . . 5532 1 1426 . 1 1 119 119 HIS CE1 C 13 137.789 0.021 . 1 . . . . . . . . 5532 1 1427 . 1 1 119 119 HIS HA H 1 4.379 0.008 . 1 . . . . . . . . 5532 1 1428 . 1 1 119 119 HIS HB2 H 1 2.485 0.008 . 1 . . . . . . . . 5532 1 1429 . 1 1 119 119 HIS HB3 H 1 2.702 0.009 . 1 . . . . . . . . 5532 1 1430 . 1 1 119 119 HIS HD2 H 1 6.848 0.007 . 1 . . . . . . . . 5532 1 1431 . 1 1 119 119 HIS HE1 H 1 8.691 0.003 . 1 . . . . . . . . 5532 1 1432 . 1 1 119 119 HIS H H 1 9.312 0.008 . 1 . . . . . . . . 5532 1 1433 . 1 1 119 119 HIS N N 15 127.853 0.035 . 1 . . . . . . . . 5532 1 1434 . 1 1 120 120 PRO C C 13 174.674 0.000 . 1 . . . . . . . . 5532 1 1435 . 1 1 120 120 PRO CA C 13 62.980 0.043 . 1 . . . . . . . . 5532 1 1436 . 1 1 120 120 PRO CB C 13 33.681 0.021 . 1 . . . . . . . . 5532 1 1437 . 1 1 120 120 PRO CD C 13 49.457 0.046 . 1 . . . . . . . . 5532 1 1438 . 1 1 120 120 PRO CG C 13 23.356 0.015 . 1 . . . . . . . . 5532 1 1439 . 1 1 120 120 PRO HA H 1 3.407 0.006 . 1 . . . . . . . . 5532 1 1440 . 1 1 120 120 PRO HB2 H 1 0.717 0.010 . 1 . . . . . . . . 5532 1 1441 . 1 1 120 120 PRO HB3 H 1 1.888 0.002 . 1 . . . . . . . . 5532 1 1442 . 1 1 120 120 PRO HD2 H 1 3.156 0.005 . 1 . . . . . . . . 5532 1 1443 . 1 1 120 120 PRO HD3 H 1 3.364 0.011 . 1 . . . . . . . . 5532 1 1444 . 1 1 120 120 PRO HG2 H 1 1.367 0.010 . 1 . . . . . . . . 5532 1 1445 . 1 1 120 120 PRO HG3 H 1 1.653 0.013 . 1 . . . . . . . . 5532 1 1446 . 1 1 121 121 GLN C C 13 176.403 0.000 . 1 . . . . . . . . 5532 1 1447 . 1 1 121 121 GLN CA C 13 60.026 0.041 . 1 . . . . . . . . 5532 1 1448 . 1 1 121 121 GLN CB C 13 27.547 0.034 . 1 . . . . . . . . 5532 1 1449 . 1 1 121 121 GLN CG C 13 34.314 0.020 . 1 . . . . . . . . 5532 1 1450 . 1 1 121 121 GLN HA H 1 3.750 0.005 . 1 . . . . . . . . 5532 1 1451 . 1 1 121 121 GLN HB2 H 1 1.828 0.007 . 1 . . . . . . . . 5532 1 1452 . 1 1 121 121 GLN HB3 H 1 1.986 0.008 . 1 . . . . . . . . 5532 1 1453 . 1 1 121 121 GLN HE21 H 1 7.350 0.012 . 1 . . . . . . . . 5532 1 1454 . 1 1 121 121 GLN HE22 H 1 6.630 0.012 . 1 . . . . . . . . 5532 1 1455 . 1 1 121 121 GLN HG2 H 1 2.159 0.010 . 1 . . . . . . . . 5532 1 1456 . 1 1 121 121 GLN HG3 H 1 2.363 0.013 . 1 . . . . . . . . 5532 1 1457 . 1 1 121 121 GLN H H 1 7.994 0.008 . 1 . . . . . . . . 5532 1 1458 . 1 1 121 121 GLN N N 15 125.942 0.027 . 1 . . . . . . . . 5532 1 1459 . 1 1 121 121 GLN NE2 N 15 111.220 0.037 . 1 . . . . . . . . 5532 1 1460 . 1 1 122 122 SER C C 13 171.202 0.000 . 1 . . . . . . . . 5532 1 1461 . 1 1 122 122 SER CA C 13 56.549 0.068 . 1 . . . . . . . . 5532 1 1462 . 1 1 122 122 SER CB C 13 60.516 0.024 . 1 . . . . . . . . 5532 1 1463 . 1 1 122 122 SER HA H 1 4.273 0.011 . 1 . . . . . . . . 5532 1 1464 . 1 1 122 122 SER HB2 H 1 1.168 0.009 . 1 . . . . . . . . 5532 1 1465 . 1 1 122 122 SER HB3 H 1 1.884 0.009 . 1 . . . . . . . . 5532 1 1466 . 1 1 122 122 SER HG H 1 6.893 0.010 . 1 . . . . . . . . 5532 1 1467 . 1 1 122 122 SER H H 1 7.816 0.016 . 1 . . . . . . . . 5532 1 1468 . 1 1 122 122 SER N N 15 116.130 0.042 . 1 . . . . . . . . 5532 1 1469 . 1 1 123 123 ASP C C 13 174.791 0.000 . 1 . . . . . . . . 5532 1 1470 . 1 1 123 123 ASP CA C 13 52.861 0.043 . 1 . . . . . . . . 5532 1 1471 . 1 1 123 123 ASP CB C 13 41.069 0.011 . 1 . . . . . . . . 5532 1 1472 . 1 1 123 123 ASP HA H 1 4.532 0.007 . 1 . . . . . . . . 5532 1 1473 . 1 1 123 123 ASP HB2 H 1 3.116 0.003 . 1 . . . . . . . . 5532 1 1474 . 1 1 123 123 ASP HB3 H 1 2.815 0.009 . 1 . . . . . . . . 5532 1 1475 . 1 1 123 123 ASP H H 1 8.374 0.011 . 1 . . . . . . . . 5532 1 1476 . 1 1 123 123 ASP N N 15 120.055 0.037 . 1 . . . . . . . . 5532 1 1477 . 1 1 124 124 LEU C C 13 178.563 0.000 . 1 . . . . . . . . 5532 1 1478 . 1 1 124 124 LEU CA C 13 58.170 0.031 . 1 . . . . . . . . 5532 1 1479 . 1 1 124 124 LEU CB C 13 42.486 0.055 . 1 . . . . . . . . 5532 1 1480 . 1 1 124 124 LEU CD1 C 13 24.190 0.046 . 1 . . . . . . . . 5532 1 1481 . 1 1 124 124 LEU CD2 C 13 24.869 0.044 . 1 . . . . . . . . 5532 1 1482 . 1 1 124 124 LEU CG C 13 26.662 0.044 . 1 . . . . . . . . 5532 1 1483 . 1 1 124 124 LEU HA H 1 4.235 0.010 . 1 . . . . . . . . 5532 1 1484 . 1 1 124 124 LEU HB2 H 1 1.451 0.010 . 1 . . . . . . . . 5532 1 1485 . 1 1 124 124 LEU HB3 H 1 2.027 0.006 . 1 . . . . . . . . 5532 1 1486 . 1 1 124 124 LEU HG H 1 2.160 0.003 . 1 . . . . . . . . 5532 1 1487 . 1 1 124 124 LEU H H 1 8.075 0.014 . 1 . . . . . . . . 5532 1 1488 . 1 1 124 124 LEU N N 15 119.103 0.052 . 1 . . . . . . . . 5532 1 1489 . 1 1 124 124 LEU HD11 H 1 0.732 0.009 . 1 . . . . . . . . 5532 1 1490 . 1 1 124 124 LEU HD12 H 1 0.732 0.009 . 1 . . . . . . . . 5532 1 1491 . 1 1 124 124 LEU HD13 H 1 0.732 0.009 . 1 . . . . . . . . 5532 1 1492 . 1 1 124 124 LEU HD21 H 1 0.760 0.003 . 1 . . . . . . . . 5532 1 1493 . 1 1 124 124 LEU HD22 H 1 0.760 0.003 . 1 . . . . . . . . 5532 1 1494 . 1 1 124 124 LEU HD23 H 1 0.760 0.003 . 1 . . . . . . . . 5532 1 1495 . 1 1 125 125 LEU C C 13 179.540 0.000 . 1 . . . . . . . . 5532 1 1496 . 1 1 125 125 LEU CA C 13 58.242 0.030 . 1 . . . . . . . . 5532 1 1497 . 1 1 125 125 LEU CB C 13 41.483 0.029 . 1 . . . . . . . . 5532 1 1498 . 1 1 125 125 LEU CD1 C 13 25.008 0.032 . 1 . . . . . . . . 5532 1 1499 . 1 1 125 125 LEU CD2 C 13 25.269 0.042 . 1 . . . . . . . . 5532 1 1500 . 1 1 125 125 LEU CG C 13 27.079 0.050 . 1 . . . . . . . . 5532 1 1501 . 1 1 125 125 LEU HA H 1 3.949 0.005 . 1 . . . . . . . . 5532 1 1502 . 1 1 125 125 LEU HB2 H 1 1.563 0.005 . 1 . . . . . . . . 5532 1 1503 . 1 1 125 125 LEU HB3 H 1 1.640 0.002 . 1 . . . . . . . . 5532 1 1504 . 1 1 125 125 LEU HG H 1 1.668 0.006 . 1 . . . . . . . . 5532 1 1505 . 1 1 125 125 LEU H H 1 8.100 0.008 . 1 . . . . . . . . 5532 1 1506 . 1 1 125 125 LEU N N 15 118.654 0.018 . 1 . . . . . . . . 5532 1 1507 . 1 1 125 125 LEU HD11 H 1 0.956 0.003 . 1 . . . . . . . . 5532 1 1508 . 1 1 125 125 LEU HD12 H 1 0.956 0.003 . 1 . . . . . . . . 5532 1 1509 . 1 1 125 125 LEU HD13 H 1 0.956 0.003 . 1 . . . . . . . . 5532 1 1510 . 1 1 125 125 LEU HD21 H 1 0.991 0.008 . 1 . . . . . . . . 5532 1 1511 . 1 1 125 125 LEU HD22 H 1 0.991 0.008 . 1 . . . . . . . . 5532 1 1512 . 1 1 125 125 LEU HD23 H 1 0.991 0.008 . 1 . . . . . . . . 5532 1 1513 . 1 1 126 126 GLY C C 13 176.430 0.000 . 1 . . . . . . . . 5532 1 1514 . 1 1 126 126 GLY CA C 13 46.311 0.033 . 1 . . . . . . . . 5532 1 1515 . 1 1 126 126 GLY HA2 H 1 3.889 0.010 . 1 . . . . . . . . 5532 1 1516 . 1 1 126 126 GLY HA3 H 1 3.607 0.004 . 1 . . . . . . . . 5532 1 1517 . 1 1 126 126 GLY H H 1 8.664 0.010 . 1 . . . . . . . . 5532 1 1518 . 1 1 126 126 GLY N N 15 108.717 0.032 . 1 . . . . . . . . 5532 1 1519 . 1 1 127 127 LEU C C 13 177.515 0.000 . 1 . . . . . . . . 5532 1 1520 . 1 1 127 127 LEU CA C 13 56.936 0.021 . 1 . . . . . . . . 5532 1 1521 . 1 1 127 127 LEU CB C 13 41.487 0.028 . 1 . . . . . . . . 5532 1 1522 . 1 1 127 127 LEU CD1 C 13 27.722 0.026 . 1 . . . . . . . . 5532 1 1523 . 1 1 127 127 LEU CD2 C 13 23.372 0.034 . 1 . . . . . . . . 5532 1 1524 . 1 1 127 127 LEU HA H 1 3.115 0.010 . 1 . . . . . . . . 5532 1 1525 . 1 1 127 127 LEU HB2 H 1 2.435 0.006 . 1 . . . . . . . . 5532 1 1526 . 1 1 127 127 LEU HB3 H 1 1.804 0.013 . 1 . . . . . . . . 5532 1 1527 . 1 1 127 127 LEU HG H 1 1.394 0.010 . 1 . . . . . . . . 5532 1 1528 . 1 1 127 127 LEU H H 1 7.851 0.008 . 1 . . . . . . . . 5532 1 1529 . 1 1 127 127 LEU N N 15 122.667 0.036 . 1 . . . . . . . . 5532 1 1530 . 1 1 127 127 LEU HD11 H 1 1.049 0.007 . 1 . . . . . . . . 5532 1 1531 . 1 1 127 127 LEU HD12 H 1 1.049 0.007 . 1 . . . . . . . . 5532 1 1532 . 1 1 127 127 LEU HD13 H 1 1.049 0.007 . 1 . . . . . . . . 5532 1 1533 . 1 1 127 127 LEU HD21 H 1 0.874 0.006 . 1 . . . . . . . . 5532 1 1534 . 1 1 127 127 LEU HD22 H 1 0.874 0.006 . 1 . . . . . . . . 5532 1 1535 . 1 1 127 127 LEU HD23 H 1 0.874 0.006 . 1 . . . . . . . . 5532 1 1536 . 1 1 128 128 ILE C C 13 177.327 0.000 . 1 . . . . . . . . 5532 1 1537 . 1 1 128 128 ILE CA C 13 64.361 0.024 . 1 . . . . . . . . 5532 1 1538 . 1 1 128 128 ILE CB C 13 36.616 0.054 . 1 . . . . . . . . 5532 1 1539 . 1 1 128 128 ILE CD1 C 13 12.766 0.029 . 1 . . . . . . . . 5532 1 1540 . 1 1 128 128 ILE CG1 C 13 29.120 0.036 . 1 . . . . . . . . 5532 1 1541 . 1 1 128 128 ILE CG2 C 13 16.979 0.027 . 1 . . . . . . . . 5532 1 1542 . 1 1 128 128 ILE HA H 1 3.309 0.008 . 1 . . . . . . . . 5532 1 1543 . 1 1 128 128 ILE HB H 1 1.609 0.006 . 1 . . . . . . . . 5532 1 1544 . 1 1 128 128 ILE HG12 H 1 0.924 0.008 . 1 . . . . . . . . 5532 1 1545 . 1 1 128 128 ILE HG13 H 1 1.347 0.016 . 1 . . . . . . . . 5532 1 1546 . 1 1 128 128 ILE H H 1 8.091 0.013 . 1 . . . . . . . . 5532 1 1547 . 1 1 128 128 ILE N N 15 119.404 0.024 . 1 . . . . . . . . 5532 1 1548 . 1 1 128 128 ILE HD11 H 1 0.417 0.011 . 1 . . . . . . . . 5532 1 1549 . 1 1 128 128 ILE HD12 H 1 0.417 0.011 . 1 . . . . . . . . 5532 1 1550 . 1 1 128 128 ILE HD13 H 1 0.417 0.011 . 1 . . . . . . . . 5532 1 1551 . 1 1 128 128 ILE HG21 H 1 0.072 0.006 . 1 . . . . . . . . 5532 1 1552 . 1 1 128 128 ILE HG22 H 1 0.072 0.006 . 1 . . . . . . . . 5532 1 1553 . 1 1 128 128 ILE HG23 H 1 0.072 0.006 . 1 . . . . . . . . 5532 1 1554 . 1 1 129 129 GLN C C 13 179.070 0.000 . 1 . . . . . . . . 5532 1 1555 . 1 1 129 129 GLN CA C 13 59.594 0.038 . 1 . . . . . . . . 5532 1 1556 . 1 1 129 129 GLN CB C 13 27.741 0.033 . 1 . . . . . . . . 5532 1 1557 . 1 1 129 129 GLN CG C 13 34.257 0.024 . 1 . . . . . . . . 5532 1 1558 . 1 1 129 129 GLN HA H 1 3.816 0.008 . 1 . . . . . . . . 5532 1 1559 . 1 1 129 129 GLN HB2 H 1 2.002 0.004 . 1 . . . . . . . . 5532 1 1560 . 1 1 129 129 GLN HB3 H 1 2.161 0.005 . 1 . . . . . . . . 5532 1 1561 . 1 1 129 129 GLN HE21 H 1 7.234 0.011 . 1 . . . . . . . . 5532 1 1562 . 1 1 129 129 GLN HE22 H 1 6.863 0.014 . 1 . . . . . . . . 5532 1 1563 . 1 1 129 129 GLN HG2 H 1 2.344 0.008 . 1 . . . . . . . . 5532 1 1564 . 1 1 129 129 GLN HG3 H 1 2.551 0.006 . 1 . . . . . . . . 5532 1 1565 . 1 1 129 129 GLN H H 1 7.788 0.016 . 1 . . . . . . . . 5532 1 1566 . 1 1 129 129 GLN N N 15 116.788 0.019 . 1 . . . . . . . . 5532 1 1567 . 1 1 129 129 GLN NE2 N 15 110.815 0.056 . 1 . . . . . . . . 5532 1 1568 . 1 1 130 130 VAL C C 13 177.369 0.000 . 1 . . . . . . . . 5532 1 1569 . 1 1 130 130 VAL CA C 13 65.865 0.012 . 1 . . . . . . . . 5532 1 1570 . 1 1 130 130 VAL CB C 13 30.886 0.043 . 1 . . . . . . . . 5532 1 1571 . 1 1 130 130 VAL CG1 C 13 21.709 0.033 . 1 . . . . . . . . 5532 1 1572 . 1 1 130 130 VAL CG2 C 13 23.038 0.026 . 1 . . . . . . . . 5532 1 1573 . 1 1 130 130 VAL HA H 1 3.620 0.006 . 1 . . . . . . . . 5532 1 1574 . 1 1 130 130 VAL HB H 1 1.854 0.005 . 1 . . . . . . . . 5532 1 1575 . 1 1 130 130 VAL H H 1 7.401 0.014 . 1 . . . . . . . . 5532 1 1576 . 1 1 130 130 VAL N N 15 118.794 0.030 . 1 . . . . . . . . 5532 1 1577 . 1 1 130 130 VAL HG11 H 1 0.819 0.005 . 1 . . . . . . . . 5532 1 1578 . 1 1 130 130 VAL HG12 H 1 0.819 0.005 . 1 . . . . . . . . 5532 1 1579 . 1 1 130 130 VAL HG13 H 1 0.819 0.005 . 1 . . . . . . . . 5532 1 1580 . 1 1 130 130 VAL HG21 H 1 0.818 0.002 . 1 . . . . . . . . 5532 1 1581 . 1 1 130 130 VAL HG22 H 1 0.818 0.002 . 1 . . . . . . . . 5532 1 1582 . 1 1 130 130 VAL HG23 H 1 0.818 0.002 . 1 . . . . . . . . 5532 1 1583 . 1 1 131 131 MET C C 13 176.694 0.000 . 1 . . . . . . . . 5532 1 1584 . 1 1 131 131 MET CA C 13 60.180 0.031 . 1 . . . . . . . . 5532 1 1585 . 1 1 131 131 MET CB C 13 32.455 0.047 . 1 . . . . . . . . 5532 1 1586 . 1 1 131 131 MET CE C 13 17.351 0.017 . 1 . . . . . . . . 5532 1 1587 . 1 1 131 131 MET CG C 13 33.513 0.059 . 1 . . . . . . . . 5532 1 1588 . 1 1 131 131 MET HA H 1 2.909 0.008 . 1 . . . . . . . . 5532 1 1589 . 1 1 131 131 MET HB2 H 1 1.283 0.011 . 1 . . . . . . . . 5532 1 1590 . 1 1 131 131 MET HB3 H 1 1.928 0.003 . 1 . . . . . . . . 5532 1 1591 . 1 1 131 131 MET HG2 H 1 1.547 0.009 . 1 . . . . . . . . 5532 1 1592 . 1 1 131 131 MET HG3 H 1 2.248 0.009 . 1 . . . . . . . . 5532 1 1593 . 1 1 131 131 MET H H 1 8.139 0.012 . 1 . . . . . . . . 5532 1 1594 . 1 1 131 131 MET N N 15 120.381 0.016 . 1 . . . . . . . . 5532 1 1595 . 1 1 131 131 MET HE1 H 1 1.800 0.002 . 1 . . . . . . . . 5532 1 1596 . 1 1 131 131 MET HE2 H 1 1.800 0.002 . 1 . . . . . . . . 5532 1 1597 . 1 1 131 131 MET HE3 H 1 1.800 0.002 . 1 . . . . . . . . 5532 1 1598 . 1 1 132 132 ILE C C 13 178.608 0.000 . 1 . . . . . . . . 5532 1 1599 . 1 1 132 132 ILE CA C 13 66.349 0.083 . 1 . . . . . . . . 5532 1 1600 . 1 1 132 132 ILE CB C 13 38.439 0.024 . 1 . . . . . . . . 5532 1 1601 . 1 1 132 132 ILE CD1 C 13 14.381 0.033 . 1 . . . . . . . . 5532 1 1602 . 1 1 132 132 ILE CG1 C 13 30.345 0.033 . 1 . . . . . . . . 5532 1 1603 . 1 1 132 132 ILE CG2 C 13 17.308 0.026 . 1 . . . . . . . . 5532 1 1604 . 1 1 132 132 ILE HA H 1 3.451 0.008 . 1 . . . . . . . . 5532 1 1605 . 1 1 132 132 ILE HB H 1 1.813 0.005 . 1 . . . . . . . . 5532 1 1606 . 1 1 132 132 ILE HG12 H 1 0.942 0.004 . 1 . . . . . . . . 5532 1 1607 . 1 1 132 132 ILE HG13 H 1 1.714 0.003 . 1 . . . . . . . . 5532 1 1608 . 1 1 132 132 ILE H H 1 7.992 0.011 . 1 . . . . . . . . 5532 1 1609 . 1 1 132 132 ILE N N 15 117.682 0.036 . 1 . . . . . . . . 5532 1 1610 . 1 1 132 132 ILE HD11 H 1 0.854 0.011 . 1 . . . . . . . . 5532 1 1611 . 1 1 132 132 ILE HD12 H 1 0.854 0.011 . 1 . . . . . . . . 5532 1 1612 . 1 1 132 132 ILE HD13 H 1 0.854 0.011 . 1 . . . . . . . . 5532 1 1613 . 1 1 132 132 ILE HG21 H 1 1.048 0.016 . 1 . . . . . . . . 5532 1 1614 . 1 1 132 132 ILE HG22 H 1 1.048 0.016 . 1 . . . . . . . . 5532 1 1615 . 1 1 132 132 ILE HG23 H 1 1.048 0.016 . 1 . . . . . . . . 5532 1 1616 . 1 1 133 133 VAL C C 13 179.350 0.000 . 1 . . . . . . . . 5532 1 1617 . 1 1 133 133 VAL CA C 13 66.308 0.039 . 1 . . . . . . . . 5532 1 1618 . 1 1 133 133 VAL CB C 13 31.727 0.029 . 1 . . . . . . . . 5532 1 1619 . 1 1 133 133 VAL CG1 C 13 20.886 0.055 . 1 . . . . . . . . 5532 1 1620 . 1 1 133 133 VAL CG2 C 13 22.411 0.031 . 1 . . . . . . . . 5532 1 1621 . 1 1 133 133 VAL HA H 1 3.663 0.012 . 1 . . . . . . . . 5532 1 1622 . 1 1 133 133 VAL HB H 1 2.153 0.006 . 1 . . . . . . . . 5532 1 1623 . 1 1 133 133 VAL H H 1 7.212 0.012 . 1 . . . . . . . . 5532 1 1624 . 1 1 133 133 VAL N N 15 120.068 0.022 . 1 . . . . . . . . 5532 1 1625 . 1 1 133 133 VAL HG11 H 1 0.890 0.008 . 1 . . . . . . . . 5532 1 1626 . 1 1 133 133 VAL HG12 H 1 0.890 0.008 . 1 . . . . . . . . 5532 1 1627 . 1 1 133 133 VAL HG13 H 1 0.890 0.008 . 1 . . . . . . . . 5532 1 1628 . 1 1 133 133 VAL HG21 H 1 1.042 0.006 . 1 . . . . . . . . 5532 1 1629 . 1 1 133 133 VAL HG22 H 1 1.042 0.006 . 1 . . . . . . . . 5532 1 1630 . 1 1 133 133 VAL HG23 H 1 1.042 0.006 . 1 . . . . . . . . 5532 1 1631 . 1 1 134 134 VAL C C 13 179.612 0.000 . 1 . . . . . . . . 5532 1 1632 . 1 1 134 134 VAL CA C 13 66.165 0.019 . 1 . . . . . . . . 5532 1 1633 . 1 1 134 134 VAL CB C 13 31.295 0.024 . 1 . . . . . . . . 5532 1 1634 . 1 1 134 134 VAL CG1 C 13 22.407 0.066 . 1 . . . . . . . . 5532 1 1635 . 1 1 134 134 VAL CG2 C 13 20.308 0.028 . 1 . . . . . . . . 5532 1 1636 . 1 1 134 134 VAL HA H 1 3.712 0.005 . 1 . . . . . . . . 5532 1 1637 . 1 1 134 134 VAL HB H 1 1.600 0.008 . 1 . . . . . . . . 5532 1 1638 . 1 1 134 134 VAL H H 1 8.581 0.012 . 1 . . . . . . . . 5532 1 1639 . 1 1 134 134 VAL N N 15 120.218 0.012 . 1 . . . . . . . . 5532 1 1640 . 1 1 134 134 VAL HG11 H 1 0.764 0.011 . 1 . . . . . . . . 5532 1 1641 . 1 1 134 134 VAL HG12 H 1 0.764 0.011 . 1 . . . . . . . . 5532 1 1642 . 1 1 134 134 VAL HG13 H 1 0.764 0.011 . 1 . . . . . . . . 5532 1 1643 . 1 1 134 134 VAL HG21 H 1 0.580 0.011 . 1 . . . . . . . . 5532 1 1644 . 1 1 134 134 VAL HG22 H 1 0.580 0.011 . 1 . . . . . . . . 5532 1 1645 . 1 1 134 134 VAL HG23 H 1 0.580 0.011 . 1 . . . . . . . . 5532 1 1646 . 1 1 135 135 PHE C C 13 176.043 0.000 . 1 . . . . . . . . 5532 1 1647 . 1 1 135 135 PHE CA C 13 54.807 0.000 . 1 . . . . . . . . 5532 1 1648 . 1 1 135 135 PHE CB C 13 36.860 0.023 . 1 . . . . . . . . 5532 1 1649 . 1 1 135 135 PHE CD1 C 13 130.029 0.035 . 1 . . . . . . . . 5532 1 1650 . 1 1 135 135 PHE CE1 C 13 130.054 0.000 . 1 . . . . . . . . 5532 1 1651 . 1 1 135 135 PHE HA H 1 4.881 0.008 . 1 . . . . . . . . 5532 1 1652 . 1 1 135 135 PHE HB2 H 1 3.331 0.006 . 1 . . . . . . . . 5532 1 1653 . 1 1 135 135 PHE HB3 H 1 2.923 0.008 . 1 . . . . . . . . 5532 1 1654 . 1 1 135 135 PHE H H 1 8.964 0.012 . 1 . . . . . . . . 5532 1 1655 . 1 1 135 135 PHE N N 15 119.008 0.014 . 1 . . . . . . . . 5532 1 1656 . 1 1 135 135 PHE HD1 H 1 6.965 0.015 . 1 . . . . . . . . 5532 1 1657 . 1 1 135 135 PHE HE1 H 1 7.030 0.004 . 1 . . . . . . . . 5532 1 1658 . 1 1 136 136 GLY C C 13 174.527 0.000 . 1 . . . . . . . . 5532 1 1659 . 1 1 136 136 GLY CA C 13 46.262 0.026 . 1 . . . . . . . . 5532 1 1660 . 1 1 136 136 GLY HA2 H 1 3.933 0.004 . 1 . . . . . . . . 5532 1 1661 . 1 1 136 136 GLY HA3 H 1 4.218 0.004 . 1 . . . . . . . . 5532 1 1662 . 1 1 136 136 GLY H H 1 7.645 0.014 . 1 . . . . . . . . 5532 1 1663 . 1 1 136 136 GLY N N 15 105.141 0.026 . 1 . . . . . . . . 5532 1 1664 . 1 1 137 137 ASP C C 13 176.572 0.000 . 1 . . . . . . . . 5532 1 1665 . 1 1 137 137 ASP CA C 13 55.032 0.026 . 1 . . . . . . . . 5532 1 1666 . 1 1 137 137 ASP CB C 13 41.109 0.055 . 1 . . . . . . . . 5532 1 1667 . 1 1 137 137 ASP HA H 1 4.977 0.010 . 1 . . . . . . . . 5532 1 1668 . 1 1 137 137 ASP H H 1 7.362 0.012 . 1 . . . . . . . . 5532 1 1669 . 1 1 137 137 ASP N N 15 118.171 0.018 . 1 . . . . . . . . 5532 1 1670 . 1 1 137 137 ASP HB2 H 1 2.952 0.007 . 1 . . . . . . . . 5532 1 1671 . 1 1 138 138 GLU CA C 13 53.038 0.000 . 1 . . . . . . . . 5532 1 1672 . 1 1 138 138 GLU CB C 13 31.018 0.024 . 1 . . . . . . . . 5532 1 1673 . 1 1 138 138 GLU CG C 13 35.647 0.034 . 1 . . . . . . . . 5532 1 1674 . 1 1 138 138 GLU HA H 1 4.659 0.007 . 1 . . . . . . . . 5532 1 1675 . 1 1 138 138 GLU HB2 H 1 2.022 0.004 . 1 . . . . . . . . 5532 1 1676 . 1 1 138 138 GLU HB3 H 1 2.121 0.004 . 1 . . . . . . . . 5532 1 1677 . 1 1 138 138 GLU HG2 H 1 2.272 0.005 . 1 . . . . . . . . 5532 1 1678 . 1 1 138 138 GLU HG3 H 1 2.347 0.006 . 1 . . . . . . . . 5532 1 1679 . 1 1 138 138 GLU H H 1 8.131 0.011 . 1 . . . . . . . . 5532 1 1680 . 1 1 138 138 GLU N N 15 118.698 0.019 . 1 . . . . . . . . 5532 1 1681 . 1 1 139 139 PRO CA C 13 60.997 0.047 . 1 . . . . . . . . 5532 1 1682 . 1 1 139 139 PRO CB C 13 29.859 0.060 . 1 . . . . . . . . 5532 1 1683 . 1 1 139 139 PRO CD C 13 49.831 0.038 . 1 . . . . . . . . 5532 1 1684 . 1 1 139 139 PRO CG C 13 26.639 0.029 . 1 . . . . . . . . 5532 1 1685 . 1 1 139 139 PRO HA H 1 4.546 0.004 . 1 . . . . . . . . 5532 1 1686 . 1 1 139 139 PRO HB2 H 1 0.930 0.008 . 1 . . . . . . . . 5532 1 1687 . 1 1 139 139 PRO HB3 H 1 1.263 0.010 . 1 . . . . . . . . 5532 1 1688 . 1 1 139 139 PRO HD2 H 1 3.225 0.008 . 1 . . . . . . . . 5532 1 1689 . 1 1 139 139 PRO HD3 H 1 3.324 0.005 . 1 . . . . . . . . 5532 1 1690 . 1 1 139 139 PRO HG2 H 1 0.588 0.003 . 1 . . . . . . . . 5532 1 1691 . 1 1 139 139 PRO HG3 H 1 1.027 0.008 . 1 . . . . . . . . 5532 1 1692 . 1 1 140 140 PRO C C 13 174.831 0.000 . 1 . . . . . . . . 5532 1 1693 . 1 1 140 140 PRO CA C 13 62.687 0.066 . 1 . . . . . . . . 5532 1 1694 . 1 1 140 140 PRO CB C 13 32.364 0.031 . 1 . . . . . . . . 5532 1 1695 . 1 1 140 140 PRO CD C 13 49.539 0.029 . 1 . . . . . . . . 5532 1 1696 . 1 1 140 140 PRO CG C 13 25.815 0.047 . 1 . . . . . . . . 5532 1 1697 . 1 1 140 140 PRO HA H 1 4.619 0.007 . 1 . . . . . . . . 5532 1 1698 . 1 1 140 140 PRO HD2 H 1 2.995 0.009 . 1 . . . . . . . . 5532 1 1699 . 1 1 140 140 PRO HD3 H 1 3.186 0.012 . 1 . . . . . . . . 5532 1 1700 . 1 1 140 140 PRO HG2 H 1 0.027 0.004 . 1 . . . . . . . . 5532 1 1701 . 1 1 140 140 PRO HG3 H 1 1.127 0.006 . 1 . . . . . . . . 5532 1 1702 . 1 1 140 140 PRO HB2 H 1 1.649 0.017 . 1 . . . . . . . . 5532 1 1703 . 1 1 141 141 VAL C C 13 172.403 0.000 . 1 . . . . . . . . 5532 1 1704 . 1 1 141 141 VAL CA C 13 56.774 0.024 . 1 . . . . . . . . 5532 1 1705 . 1 1 141 141 VAL CB C 13 36.251 0.058 . 1 . . . . . . . . 5532 1 1706 . 1 1 141 141 VAL CG1 C 13 19.467 0.091 . 1 . . . . . . . . 5532 1 1707 . 1 1 141 141 VAL CG2 C 13 23.728 0.047 . 1 . . . . . . . . 5532 1 1708 . 1 1 141 141 VAL HA H 1 5.048 0.005 . 1 . . . . . . . . 5532 1 1709 . 1 1 141 141 VAL HB H 1 1.627 0.007 . 1 . . . . . . . . 5532 1 1710 . 1 1 141 141 VAL H H 1 6.330 0.012 . 1 . . . . . . . . 5532 1 1711 . 1 1 141 141 VAL N N 15 109.809 0.042 . 1 . . . . . . . . 5532 1 1712 . 1 1 141 141 VAL HG11 H 1 0.595 0.014 . 1 . . . . . . . . 5532 1 1713 . 1 1 141 141 VAL HG12 H 1 0.595 0.014 . 1 . . . . . . . . 5532 1 1714 . 1 1 141 141 VAL HG13 H 1 0.595 0.014 . 1 . . . . . . . . 5532 1 1715 . 1 1 141 141 VAL HG21 H 1 0.617 0.010 . 1 . . . . . . . . 5532 1 1716 . 1 1 141 141 VAL HG22 H 1 0.617 0.010 . 1 . . . . . . . . 5532 1 1717 . 1 1 141 141 VAL HG23 H 1 0.617 0.010 . 1 . . . . . . . . 5532 1 1718 . 1 1 142 142 PHE C C 13 175.738 0.000 . 1 . . . . . . . . 5532 1 1719 . 1 1 142 142 PHE CA C 13 55.686 0.000 . 1 . . . . . . . . 5532 1 1720 . 1 1 142 142 PHE CB C 13 43.626 0.049 . 1 . . . . . . . . 5532 1 1721 . 1 1 142 142 PHE CD1 C 13 132.259 0.045 . 1 . . . . . . . . 5532 1 1722 . 1 1 142 142 PHE CE1 C 13 130.799 0.048 . 1 . . . . . . . . 5532 1 1723 . 1 1 142 142 PHE HA H 1 4.858 0.020 . 1 . . . . . . . . 5532 1 1724 . 1 1 142 142 PHE HB2 H 1 2.478 0.018 . 1 . . . . . . . . 5532 1 1725 . 1 1 142 142 PHE HB3 H 1 2.880 0.018 . 1 . . . . . . . . 5532 1 1726 . 1 1 142 142 PHE H H 1 7.968 0.014 . 1 . . . . . . . . 5532 1 1727 . 1 1 142 142 PHE N N 15 113.915 0.030 . 1 . . . . . . . . 5532 1 1728 . 1 1 142 142 PHE HD1 H 1 6.913 0.008 . 1 . . . . . . . . 5532 1 1729 . 1 1 142 142 PHE HE1 H 1 7.037 0.013 . 1 . . . . . . . . 5532 1 1730 . 1 1 143 143 SER C C 13 174.292 0.000 . 1 . . . . . . . . 5532 1 1731 . 1 1 143 143 SER CA C 13 58.063 0.041 . 1 . . . . . . . . 5532 1 1732 . 1 1 143 143 SER CB C 13 64.699 0.046 . 1 . . . . . . . . 5532 1 1733 . 1 1 143 143 SER HA H 1 4.655 0.018 . 1 . . . . . . . . 5532 1 1734 . 1 1 143 143 SER HB2 H 1 3.679 0.005 . 1 . . . . . . . . 5532 1 1735 . 1 1 143 143 SER HB3 H 1 3.743 0.005 . 1 . . . . . . . . 5532 1 1736 . 1 1 143 143 SER HG H 1 4.361 0.005 . 1 . . . . . . . . 5532 1 1737 . 1 1 143 143 SER H H 1 8.949 0.008 . 1 . . . . . . . . 5532 1 1738 . 1 1 143 143 SER N N 15 116.657 0.034 . 1 . . . . . . . . 5532 1 1739 . 1 1 144 144 ARG CA C 13 54.221 0.034 . 1 . . . . . . . . 5532 1 1740 . 1 1 144 144 ARG CB C 13 29.828 0.037 . 1 . . . . . . . . 5532 1 1741 . 1 1 144 144 ARG CD C 13 43.361 0.031 . 1 . . . . . . . . 5532 1 1742 . 1 1 144 144 ARG CG C 13 27.295 0.050 . 1 . . . . . . . . 5532 1 1743 . 1 1 144 144 ARG HA H 1 4.556 0.011 . 1 . . . . . . . . 5532 1 1744 . 1 1 144 144 ARG HB2 H 1 1.602 0.003 . 1 . . . . . . . . 5532 1 1745 . 1 1 144 144 ARG HB3 H 1 1.804 0.005 . 1 . . . . . . . . 5532 1 1746 . 1 1 144 144 ARG HG2 H 1 1.497 0.002 . 1 . . . . . . . . 5532 1 1747 . 1 1 144 144 ARG HG3 H 1 1.595 0.004 . 1 . . . . . . . . 5532 1 1748 . 1 1 144 144 ARG H H 1 8.420 0.007 . 1 . . . . . . . . 5532 1 1749 . 1 1 144 144 ARG N N 15 125.366 0.017 . 1 . . . . . . . . 5532 1 1750 . 1 1 144 144 ARG HD2 H 1 3.120 0.006 . 1 . . . . . . . . 5532 1 1751 . 1 1 145 145 PRO CA C 13 64.322 0.036 . 1 . . . . . . . . 5532 1 1752 . 1 1 145 145 PRO CB C 13 31.809 0.054 . 1 . . . . . . . . 5532 1 1753 . 1 1 145 145 PRO CD C 13 50.221 0.025 . 1 . . . . . . . . 5532 1 1754 . 1 1 145 145 PRO CG C 13 27.177 0.032 . 1 . . . . . . . . 5532 1 1755 . 1 1 145 145 PRO HA H 1 4.266 0.008 . 1 . . . . . . . . 5532 1 1756 . 1 1 145 145 PRO HB2 H 1 1.879 0.002 . 1 . . . . . . . . 5532 1 1757 . 1 1 145 145 PRO HB3 H 1 2.222 0.002 . 1 . . . . . . . . 5532 1 1758 . 1 1 145 145 PRO HD2 H 1 3.614 0.006 . 1 . . . . . . . . 5532 1 1759 . 1 1 145 145 PRO HD3 H 1 3.769 0.007 . 1 . . . . . . . . 5532 1 1760 . 1 1 145 145 PRO HG2 H 1 1.960 0.005 . 1 . . . . . . . . 5532 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5532 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5532 2 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 . 2 2 1 1 PRO C C 13 156.212 0.000 . 1 . . . . . . . . 5532 2 2 . 2 2 1 1 PRO CA C 13 61.910 0.037 . 1 . . . . . . . . 5532 2 3 . 2 2 1 1 PRO CB C 13 32.527 0.061 . 1 . . . . . . . . 5532 2 4 . 2 2 1 1 PRO CD C 13 49.220 0.064 . 1 . . . . . . . . 5532 2 5 . 2 2 1 1 PRO CG C 13 26.093 0.056 . 1 . . . . . . . . 5532 2 6 . 2 2 1 1 PRO HA H 1 4.297 0.030 . 1 . . . . . . . . 5532 2 7 . 2 2 1 1 PRO HB2 H 1 1.808 0.025 . 1 . . . . . . . . 5532 2 8 . 2 2 1 1 PRO HB3 H 1 2.259 0.019 . 1 . . . . . . . . 5532 2 9 . 2 2 1 1 PRO HG2 H 1 1.658 0.008 . 1 . . . . . . . . 5532 2 10 . 2 2 1 1 PRO HG3 H 1 1.852 0.006 . 1 . . . . . . . . 5532 2 11 . 2 2 1 1 PRO HD2 H 1 3.158 0.017 . 1 . . . . . . . . 5532 2 12 . 2 2 2 2 GLU CA C 13 54.173 0.060 . 1 . . . . . . . . 5532 2 13 . 2 2 2 2 GLU CB C 13 29.436 0.057 . 1 . . . . . . . . 5532 2 14 . 2 2 2 2 GLU CG C 13 35.480 0.071 . 1 . . . . . . . . 5532 2 15 . 2 2 2 2 GLU HA H 1 4.569 0.027 . 1 . . . . . . . . 5532 2 16 . 2 2 2 2 GLU HB2 H 1 1.812 0.008 . 1 . . . . . . . . 5532 2 17 . 2 2 2 2 GLU HB3 H 1 1.961 0.010 . 1 . . . . . . . . 5532 2 18 . 2 2 2 2 GLU H H 1 8.598 0.009 . 1 . . . . . . . . 5532 2 19 . 2 2 2 2 GLU N N 15 121.096 0.000 . 1 . . . . . . . . 5532 2 20 . 2 2 2 2 GLU HG2 H 1 2.262 0.017 . 1 . . . . . . . . 5532 2 21 . 2 2 3 3 PRO C C 13 150.585 0.000 . 1 . . . . . . . . 5532 2 22 . 2 2 3 3 PRO CB C 13 32.008 0.086 . 1 . . . . . . . . 5532 2 23 . 2 2 3 3 PRO CD C 13 50.420 0.092 . 1 . . . . . . . . 5532 2 24 . 2 2 3 3 PRO CG C 13 27.621 0.061 . 1 . . . . . . . . 5532 2 25 . 2 2 3 3 PRO HA H 1 4.336 0.072 . 1 . . . . . . . . 5532 2 26 . 2 2 3 3 PRO HB2 H 1 1.789 0.084 . 1 . . . . . . . . 5532 2 27 . 2 2 3 3 PRO HB3 H 1 1.900 0.082 . 1 . . . . . . . . 5532 2 28 . 2 2 3 3 PRO HD2 H 1 3.574 0.008 . 1 . . . . . . . . 5532 2 29 . 2 2 3 3 PRO HD3 H 1 3.852 0.011 . 1 . . . . . . . . 5532 2 30 . 2 2 3 3 PRO HG2 H 1 1.733 0.011 . 1 . . . . . . . . 5532 2 31 . 2 2 3 3 PRO HG3 H 1 2.030 0.015 . 1 . . . . . . . . 5532 2 32 . 2 2 4 4 THR C C 13 178.588 0.000 . 1 . . . . . . . . 5532 2 33 . 2 2 4 4 THR CA C 13 59.275 0.080 . 1 . . . . . . . . 5532 2 34 . 2 2 4 4 THR CB C 13 73.891 0.083 . 1 . . . . . . . . 5532 2 35 . 2 2 4 4 THR CG2 C 13 23.345 0.033 . 1 . . . . . . . . 5532 2 36 . 2 2 4 4 THR HA H 1 4.547 0.007 . 1 . . . . . . . . 5532 2 37 . 2 2 4 4 THR HB H 1 4.442 0.026 . 1 . . . . . . . . 5532 2 38 . 2 2 4 4 THR HG1 H 1 6.124 0.014 . 1 . . . . . . . . 5532 2 39 . 2 2 4 4 THR H H 1 7.952 0.008 . 1 . . . . . . . . 5532 2 40 . 2 2 4 4 THR N N 15 117.195 0.000 . 1 . . . . . . . . 5532 2 41 . 2 2 4 4 THR HG21 H 1 1.226 0.017 . 1 . . . . . . . . 5532 2 42 . 2 2 4 4 THR HG22 H 1 1.226 0.017 . 1 . . . . . . . . 5532 2 43 . 2 2 4 4 THR HG23 H 1 1.226 0.017 . 1 . . . . . . . . 5532 2 44 . 2 2 5 5 ALA CA C 13 49.036 0.043 . 1 . . . . . . . . 5532 2 45 . 2 2 5 5 ALA CB C 13 20.016 0.036 . 1 . . . . . . . . 5532 2 46 . 2 2 5 5 ALA HA H 1 4.254 0.020 . 1 . . . . . . . . 5532 2 47 . 2 2 5 5 ALA H H 1 8.994 0.013 . 1 . . . . . . . . 5532 2 48 . 2 2 5 5 ALA N N 15 115.284 0.000 . 1 . . . . . . . . 5532 2 49 . 2 2 5 5 ALA HB1 H 1 0.943 0.012 . 1 . . . . . . . . 5532 2 50 . 2 2 5 5 ALA HB2 H 1 0.943 0.012 . 1 . . . . . . . . 5532 2 51 . 2 2 5 5 ALA HB3 H 1 0.943 0.012 . 1 . . . . . . . . 5532 2 52 . 2 2 6 6 PRO CA C 13 60.268 0.047 . 1 . . . . . . . . 5532 2 53 . 2 2 6 6 PRO CB C 13 29.905 0.058 . 1 . . . . . . . . 5532 2 54 . 2 2 6 6 PRO CD C 13 48.571 0.042 . 1 . . . . . . . . 5532 2 55 . 2 2 6 6 PRO CG C 13 26.200 0.056 . 1 . . . . . . . . 5532 2 56 . 2 2 6 6 PRO HA H 1 4.054 0.008 . 1 . . . . . . . . 5532 2 57 . 2 2 6 6 PRO HB2 H 1 1.729 0.010 . 1 . . . . . . . . 5532 2 58 . 2 2 6 6 PRO HB3 H 1 1.939 0.009 . 1 . . . . . . . . 5532 2 59 . 2 2 6 6 PRO HD2 H 1 2.095 0.012 . 1 . . . . . . . . 5532 2 60 . 2 2 6 6 PRO HD3 H 1 3.243 0.017 . 1 . . . . . . . . 5532 2 61 . 2 2 6 6 PRO HG2 H 1 0.648 0.012 . 1 . . . . . . . . 5532 2 62 . 2 2 6 6 PRO HG3 H 1 1.090 0.011 . 1 . . . . . . . . 5532 2 63 . 2 2 7 7 PRO C C 13 181.355 0.000 . 1 . . . . . . . . 5532 2 64 . 2 2 7 7 PRO CA C 13 62.439 0.000 . 1 . . . . . . . . 5532 2 65 . 2 2 7 7 PRO CB C 13 31.821 0.062 . 1 . . . . . . . . 5532 2 66 . 2 2 7 7 PRO CD C 13 50.159 0.050 . 1 . . . . . . . . 5532 2 67 . 2 2 7 7 PRO CG C 13 27.235 0.067 . 1 . . . . . . . . 5532 2 68 . 2 2 7 7 PRO HA H 1 4.703 0.012 . 1 . . . . . . . . 5532 2 69 . 2 2 7 7 PRO HB2 H 1 1.971 0.009 . 1 . . . . . . . . 5532 2 70 . 2 2 7 7 PRO HB3 H 1 2.267 0.005 . 1 . . . . . . . . 5532 2 71 . 2 2 7 7 PRO HD2 H 1 3.705 0.014 . 1 . . . . . . . . 5532 2 72 . 2 2 7 7 PRO HD3 H 1 3.869 0.015 . 1 . . . . . . . . 5532 2 73 . 2 2 7 7 PRO HG2 H 1 2.132 0.005 . 1 . . . . . . . . 5532 2 74 . 2 2 8 8 GLU C C 13 173.168 0.000 . 1 . . . . . . . . 5532 2 75 . 2 2 8 8 GLU CA C 13 57.487 0.054 . 1 . . . . . . . . 5532 2 76 . 2 2 8 8 GLU CB C 13 30.202 0.094 . 1 . . . . . . . . 5532 2 77 . 2 2 8 8 GLU CG C 13 35.961 0.125 . 1 . . . . . . . . 5532 2 78 . 2 2 8 8 GLU HA H 1 3.648 0.012 . 1 . . . . . . . . 5532 2 79 . 2 2 8 8 GLU HB2 H 1 1.713 0.009 . 1 . . . . . . . . 5532 2 80 . 2 2 8 8 GLU HB3 H 1 1.820 0.044 . 1 . . . . . . . . 5532 2 81 . 2 2 8 8 GLU H H 1 8.313 0.019 . 1 . . . . . . . . 5532 2 82 . 2 2 8 8 GLU N N 15 120.877 0.000 . 1 . . . . . . . . 5532 2 83 . 2 2 8 8 GLU HG2 H 1 1.991 0.065 . 1 . . . . . . . . 5532 2 84 . 2 2 9 9 GLU CA C 13 57.293 0.031 . 1 . . . . . . . . 5532 2 85 . 2 2 9 9 GLU CB C 13 31.310 0.080 . 1 . . . . . . . . 5532 2 86 . 2 2 9 9 GLU CG C 13 36.410 0.041 . 1 . . . . . . . . 5532 2 87 . 2 2 9 9 GLU HA H 1 4.083 0.029 . 1 . . . . . . . . 5532 2 88 . 2 2 9 9 GLU HB2 H 1 1.707 0.009 . 1 . . . . . . . . 5532 2 89 . 2 2 9 9 GLU HB3 H 1 1.986 0.010 . 1 . . . . . . . . 5532 2 90 . 2 2 9 9 GLU H H 1 7.628 0.014 . 1 . . . . . . . . 5532 2 91 . 2 2 9 9 GLU N N 15 128.572 0.000 . 1 . . . . . . . . 5532 2 92 . 2 2 9 9 GLU HG2 H 1 2.225 0.019 . 1 . . . . . . . . 5532 2 stop_ save_