data_19624 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19624 _Entry.Title ; 1H and 15N chemical shift assignments for circular sortase A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-20 _Entry.Accession_date 2013-11-20 _Entry.Last_release_date 2013-12-20 _Entry.Original_release_date 2013-12-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Kristaps Jaudzems . . . 19624 2 Dmitrijs Zhulenkovs . . . 19624 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19624 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 159 19624 '1H chemical shifts' 892 19624 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 . . 2013-12-20 2013-11-20 original author . 19624 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19624 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H and 15N chemical shift assignments for circular sortase A' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Dmitrijs Zhulenkovs . . . 19624 1 2 Kristaps Jaudzems . . . 19624 1 3 Anna Zajakina . . . 19624 1 4 Ainars Leonchiks . . . 19624 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19624 _Assembly.ID 1 _Assembly.Name 'circular sortase A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'circular sortase A' 1 $circular_sortase_A A . yes native no no . . . 19624 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_circular_sortase_A _Entity.Sf_category entity _Entity.Sf_framecode circular_sortase_A _Entity.Entry_ID 19624 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name circular_sortase_A _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 ; QAKPQIPKDKSKVAGYIEIP DADIKEPVYPGPATPEQLNR GVSFAEENESLDDQNISIAG HTFIDRPNYQFTNLKAAKKG SMVYFKVGNETRKYKMTSIR DVKPTDVEVLDEQKGKDKQL TLITCDDYNEKTGVWEKRKI FVATEVKTRESGSIEF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-156 _Entity.Polymer_author_seq_details 'Residues 148-156 represent a non-native linker connecting the N- and C-termini of the catalytic domain (residues 59-206) of full length sortase A' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'catalytic domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16270 . Sortase_A . . . . . 94.23 148 99.32 99.32 3.08e-101 . . . . 19624 1 2 no BMRB 19826 . sortase_A . . . . . 94.23 148 100.00 100.00 2.31e-102 . . . . 19624 1 3 no PDB 1IJA . "Structure Of Sortase" . . . . . 94.23 148 99.32 99.32 3.08e-101 . . . . 19624 1 4 no PDB 1T2O . "Crystal Structure Of Se-Srta, C184-Ala" . . . . . 93.59 146 97.26 97.26 9.13e-97 . . . . 19624 1 5 no PDB 1T2P . "Crystal Structure Of Sortase A From Staphylococcus Aureus" . . . . . 93.59 146 99.32 99.32 2.88e-100 . . . . 19624 1 6 no PDB 1T2W . "Crystal Structure Of Sortase A In Complex With A Lpetg Peptide" . . . . . 92.95 145 98.62 98.62 2.46e-98 . . . . 19624 1 7 no PDB 2KID . "Solution Structure Of The S. Aureus Sortase A-Substrate Complex" . . . . . 94.23 148 99.32 99.32 3.08e-101 . . . . 19624 1 8 no PDB 2MLM . "Solution Structure Of Sortase A From S. Aureus In Complex With Benzo[d]isothiazol-3-one Based Inhibitor" . . . . . 94.23 148 100.00 100.00 2.31e-102 . . . . 19624 1 9 no DBJ BAB43619 . "sortase [Staphylococcus aureus subsp. aureus N315]" . . . . . 94.23 206 100.00 100.00 6.56e-102 . . . . 19624 1 10 no DBJ BAB58690 . "sortase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 94.23 206 100.00 100.00 6.56e-102 . . . . 19624 1 11 no DBJ BAB96313 . "sortase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 94.23 206 100.00 100.00 6.86e-102 . . . . 19624 1 12 no DBJ BAF68698 . "sortase A, peptide LPXTG peptidoglycan transferase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 94.23 206 99.32 99.32 8.17e-101 . . . . 19624 1 13 no DBJ BAF79395 . "sortase [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 94.23 206 100.00 100.00 6.56e-102 . . . . 19624 1 14 no EMBL CAG41587 . "sortase A [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 94.23 206 100.00 100.00 6.56e-102 . . . . 19624 1 15 no EMBL CAG44229 . "sortase A [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 94.23 206 100.00 100.00 6.86e-102 . . . . 19624 1 16 no EMBL CAI82090 . "sortase [Staphylococcus aureus RF122]" . . . . . 94.23 206 97.96 97.96 1.70e-99 . . . . 19624 1 17 no EMBL CAQ50958 . "sortase [Staphylococcus aureus subsp. aureus ST398]" . . . . . 94.23 206 99.32 99.32 3.89e-101 . . . . 19624 1 18 no EMBL CBI50513 . "sortase A [Staphylococcus aureus subsp. aureus TW20]" . . . . . 94.23 206 99.32 99.32 8.17e-101 . . . . 19624 1 19 no GB AAD48437 . "sortase [Staphylococcus aureus]" . . . . . 94.23 206 99.32 99.32 8.17e-101 . . . . 19624 1 20 no GB AAW37316 . "sortase [Staphylococcus aureus subsp. aureus COL]" . . . . . 94.23 206 99.32 99.32 8.17e-101 . . . . 19624 1 21 no GB ABD22861 . "sortase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 94.23 206 99.32 99.32 8.17e-101 . . . . 19624 1 22 no GB ABD31836 . "sortase, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 94.23 206 99.32 99.32 8.17e-101 . . . . 19624 1 23 no GB ABQ50328 . "sortase family protein [Staphylococcus aureus subsp. aureus JH9]" . . . . . 94.23 206 100.00 100.00 6.56e-102 . . . . 19624 1 24 no REF WP_000759357 . "sortase A [Staphylococcus aureus]" . . . . . 94.23 206 99.32 99.32 3.72e-101 . . . . 19624 1 25 no REF WP_000759358 . "sortase A [Staphylococcus aureus]" . . . . . 94.23 206 98.64 99.32 6.02e-101 . . . . 19624 1 26 no REF WP_000759359 . "MULTISPECIES: sortase A [Bacteria]" . . . . . 94.23 206 100.00 100.00 6.86e-102 . . . . 19624 1 27 no REF WP_000759360 . "sortase A [Staphylococcus aureus]" . . . . . 94.23 206 99.32 99.32 3.06e-101 . . . . 19624 1 28 no REF WP_000759361 . "sortase A [Staphylococcus aureus]" . . . . . 94.23 206 99.32 99.32 8.17e-101 . . . . 19624 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 . GLN . 19624 1 2 . ALA . 19624 1 3 . LYS . 19624 1 4 . PRO . 19624 1 5 . GLN . 19624 1 6 . ILE . 19624 1 7 . PRO . 19624 1 8 . LYS . 19624 1 9 . ASP . 19624 1 10 . LYS . 19624 1 11 . SER . 19624 1 12 . LYS . 19624 1 13 . VAL . 19624 1 14 . ALA . 19624 1 15 . GLY . 19624 1 16 . TYR . 19624 1 17 . ILE . 19624 1 18 . GLU . 19624 1 19 . ILE . 19624 1 20 . PRO . 19624 1 21 . ASP . 19624 1 22 . ALA . 19624 1 23 . ASP . 19624 1 24 . ILE . 19624 1 25 . LYS . 19624 1 26 . GLU . 19624 1 27 . PRO . 19624 1 28 . VAL . 19624 1 29 . TYR . 19624 1 30 . PRO . 19624 1 31 . GLY . 19624 1 32 . PRO . 19624 1 33 . ALA . 19624 1 34 . THR . 19624 1 35 . PRO . 19624 1 36 . GLU . 19624 1 37 . GLN . 19624 1 38 . LEU . 19624 1 39 . ASN . 19624 1 40 . ARG . 19624 1 41 . GLY . 19624 1 42 . VAL . 19624 1 43 . SER . 19624 1 44 . PHE . 19624 1 45 . ALA . 19624 1 46 . GLU . 19624 1 47 . GLU . 19624 1 48 . ASN . 19624 1 49 . GLU . 19624 1 50 . SER . 19624 1 51 . LEU . 19624 1 52 . ASP . 19624 1 53 . ASP . 19624 1 54 . GLN . 19624 1 55 . ASN . 19624 1 56 . ILE . 19624 1 57 . SER . 19624 1 58 . ILE . 19624 1 59 . ALA . 19624 1 60 . GLY . 19624 1 61 . HIS . 19624 1 62 . THR . 19624 1 63 . PHE . 19624 1 64 . ILE . 19624 1 65 . ASP . 19624 1 66 . ARG . 19624 1 67 . PRO . 19624 1 68 . ASN . 19624 1 69 . TYR . 19624 1 70 . GLN . 19624 1 71 . PHE . 19624 1 72 . THR . 19624 1 73 . ASN . 19624 1 74 . LEU . 19624 1 75 . LYS . 19624 1 76 . ALA . 19624 1 77 . ALA . 19624 1 78 . LYS . 19624 1 79 . LYS . 19624 1 80 . GLY . 19624 1 81 . SER . 19624 1 82 . MET . 19624 1 83 . VAL . 19624 1 84 . TYR . 19624 1 85 . PHE . 19624 1 86 . LYS . 19624 1 87 . VAL . 19624 1 88 . GLY . 19624 1 89 . ASN . 19624 1 90 . GLU . 19624 1 91 . THR . 19624 1 92 . ARG . 19624 1 93 . LYS . 19624 1 94 . TYR . 19624 1 95 . LYS . 19624 1 96 . MET . 19624 1 97 . THR . 19624 1 98 . SER . 19624 1 99 . ILE . 19624 1 100 . ARG . 19624 1 101 . ASP . 19624 1 102 . VAL . 19624 1 103 . LYS . 19624 1 104 . PRO . 19624 1 105 . THR . 19624 1 106 . ASP . 19624 1 107 . VAL . 19624 1 108 . GLU . 19624 1 109 . VAL . 19624 1 110 . LEU . 19624 1 111 . ASP . 19624 1 112 . GLU . 19624 1 113 . GLN . 19624 1 114 . LYS . 19624 1 115 . GLY . 19624 1 116 . LYS . 19624 1 117 . ASP . 19624 1 118 . LYS . 19624 1 119 . GLN . 19624 1 120 . LEU . 19624 1 121 . THR . 19624 1 122 . LEU . 19624 1 123 . ILE . 19624 1 124 . THR . 19624 1 125 . CYS . 19624 1 126 . ASP . 19624 1 127 . ASP . 19624 1 128 . TYR . 19624 1 129 . ASN . 19624 1 130 . GLU . 19624 1 131 . LYS . 19624 1 132 . THR . 19624 1 133 . GLY . 19624 1 134 . VAL . 19624 1 135 . TRP . 19624 1 136 . GLU . 19624 1 137 . LYS . 19624 1 138 . ARG . 19624 1 139 . LYS . 19624 1 140 . ILE . 19624 1 141 . PHE . 19624 1 142 . VAL . 19624 1 143 . ALA . 19624 1 144 . THR . 19624 1 145 . GLU . 19624 1 146 . VAL . 19624 1 147 . LYS . 19624 1 148 . THR . 19624 1 149 . ARG . 19624 1 150 . GLU . 19624 1 151 . SER . 19624 1 152 . GLY . 19624 1 153 . SER . 19624 1 154 . ILE . 19624 1 155 . GLU . 19624 1 156 . PHE . 19624 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 . GLN 1 1 19624 1 . ALA 2 2 19624 1 . LYS 3 3 19624 1 . PRO 4 4 19624 1 . GLN 5 5 19624 1 . ILE 6 6 19624 1 . PRO 7 7 19624 1 . LYS 8 8 19624 1 . ASP 9 9 19624 1 . LYS 10 10 19624 1 . SER 11 11 19624 1 . LYS 12 12 19624 1 . VAL 13 13 19624 1 . ALA 14 14 19624 1 . GLY 15 15 19624 1 . TYR 16 16 19624 1 . ILE 17 17 19624 1 . GLU 18 18 19624 1 . ILE 19 19 19624 1 . PRO 20 20 19624 1 . ASP 21 21 19624 1 . ALA 22 22 19624 1 . ASP 23 23 19624 1 . ILE 24 24 19624 1 . LYS 25 25 19624 1 . GLU 26 26 19624 1 . PRO 27 27 19624 1 . VAL 28 28 19624 1 . TYR 29 29 19624 1 . PRO 30 30 19624 1 . GLY 31 31 19624 1 . PRO 32 32 19624 1 . ALA 33 33 19624 1 . THR 34 34 19624 1 . PRO 35 35 19624 1 . GLU 36 36 19624 1 . GLN 37 37 19624 1 . LEU 38 38 19624 1 . ASN 39 39 19624 1 . ARG 40 40 19624 1 . GLY 41 41 19624 1 . VAL 42 42 19624 1 . SER 43 43 19624 1 . PHE 44 44 19624 1 . ALA 45 45 19624 1 . GLU 46 46 19624 1 . GLU 47 47 19624 1 . ASN 48 48 19624 1 . GLU 49 49 19624 1 . SER 50 50 19624 1 . LEU 51 51 19624 1 . ASP 52 52 19624 1 . ASP 53 53 19624 1 . GLN 54 54 19624 1 . ASN 55 55 19624 1 . ILE 56 56 19624 1 . SER 57 57 19624 1 . ILE 58 58 19624 1 . ALA 59 59 19624 1 . GLY 60 60 19624 1 . HIS 61 61 19624 1 . THR 62 62 19624 1 . PHE 63 63 19624 1 . ILE 64 64 19624 1 . ASP 65 65 19624 1 . ARG 66 66 19624 1 . PRO 67 67 19624 1 . ASN 68 68 19624 1 . TYR 69 69 19624 1 . GLN 70 70 19624 1 . PHE 71 71 19624 1 . THR 72 72 19624 1 . ASN 73 73 19624 1 . LEU 74 74 19624 1 . LYS 75 75 19624 1 . ALA 76 76 19624 1 . ALA 77 77 19624 1 . LYS 78 78 19624 1 . LYS 79 79 19624 1 . GLY 80 80 19624 1 . SER 81 81 19624 1 . MET 82 82 19624 1 . VAL 83 83 19624 1 . TYR 84 84 19624 1 . PHE 85 85 19624 1 . LYS 86 86 19624 1 . VAL 87 87 19624 1 . GLY 88 88 19624 1 . ASN 89 89 19624 1 . GLU 90 90 19624 1 . THR 91 91 19624 1 . ARG 92 92 19624 1 . LYS 93 93 19624 1 . TYR 94 94 19624 1 . LYS 95 95 19624 1 . MET 96 96 19624 1 . THR 97 97 19624 1 . SER 98 98 19624 1 . ILE 99 99 19624 1 . ARG 100 100 19624 1 . ASP 101 101 19624 1 . VAL 102 102 19624 1 . LYS 103 103 19624 1 . PRO 104 104 19624 1 . THR 105 105 19624 1 . ASP 106 106 19624 1 . VAL 107 107 19624 1 . GLU 108 108 19624 1 . VAL 109 109 19624 1 . LEU 110 110 19624 1 . ASP 111 111 19624 1 . GLU 112 112 19624 1 . GLN 113 113 19624 1 . LYS 114 114 19624 1 . GLY 115 115 19624 1 . LYS 116 116 19624 1 . ASP 117 117 19624 1 . LYS 118 118 19624 1 . GLN 119 119 19624 1 . LEU 120 120 19624 1 . THR 121 121 19624 1 . LEU 122 122 19624 1 . ILE 123 123 19624 1 . THR 124 124 19624 1 . CYS 125 125 19624 1 . ASP 126 126 19624 1 . ASP 127 127 19624 1 . TYR 128 128 19624 1 . ASN 129 129 19624 1 . GLU 130 130 19624 1 . LYS 131 131 19624 1 . THR 132 132 19624 1 . GLY 133 133 19624 1 . VAL 134 134 19624 1 . TRP 135 135 19624 1 . GLU 136 136 19624 1 . LYS 137 137 19624 1 . ARG 138 138 19624 1 . LYS 139 139 19624 1 . ILE 140 140 19624 1 . PHE 141 141 19624 1 . VAL 142 142 19624 1 . ALA 143 143 19624 1 . THR 144 144 19624 1 . GLU 145 145 19624 1 . VAL 146 146 19624 1 . LYS 147 147 19624 1 . THR 148 148 19624 1 . ARG 149 149 19624 1 . GLU 150 150 19624 1 . SER 151 151 19624 1 . GLY 152 152 19624 1 . SER 153 153 19624 1 . ILE 154 154 19624 1 . GLU 155 155 19624 1 . PHE 156 156 19624 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19624 _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 $circular_sortase_A . 1280 organism . 'Staphylococcus aureus' firmicutes . . Bacteria Firmicutes Staphylococcus aureus . . . . . . . . . . . . . . . . srtA . . . . 19624 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 19624 _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 $circular_sortase_A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pNW1120 . . . 'Synechocystis sp. PCC6803 inteins were used for protein cyclization' . . 19624 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19624 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'circular sortase A' '[U-100% 15N]' . . 1 $circular_sortase_A . . 0.5 . . mM . . . . 19624 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19624 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19624 1 4 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19624 1 5 H2O '[U-100% 2H]' . . . . . . 95 . . % . . . . 19624 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19624 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0363 . M 19624 1 pH 6.5 . pH 19624 1 pressure 1 . atm 19624 1 temperature 308 . K 19624 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19624 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19624 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19624 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19624 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19624 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19624 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19624 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19624 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19624 3 'data analysis' 19624 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19624 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'HCN cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19624 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'HCN cold probe' . . 19624 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 19624 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19624 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19624 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19624 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19624 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19624 _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 water protons . . . . ppm 4.677 internal direct 1.0 . . . . . . . . . 19624 1 N 15 water protons . . . . ppm 4.677 internal indirect 0.101329118 . . . . . . . . . 19624 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19624 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19624 1 2 '3D 1H-15N NOESY' . . . 19624 1 3 '3D 1H-15N TOCSY' . . . 19624 1 4 '3D HNHA' . . . 19624 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.313 0.020 . 1 . . . . 1 GLN HA . 19624 1 2 . 1 1 1 1 GLN HB2 H 1 1.953 0.020 . 2 . . . . 1 GLN HB2 . 19624 1 3 . 1 1 1 1 GLN HB3 H 1 2.103 0.020 . 2 . . . . 1 GLN HB3 . 19624 1 4 . 1 1 1 1 GLN HG2 H 1 2.335 0.020 . 1 . . . . 1 GLN HG2 . 19624 1 5 . 1 1 1 1 GLN HG3 H 1 2.335 0.020 . 1 . . . . 1 GLN HG3 . 19624 1 6 . 1 1 2 2 ALA H H 1 8.238 0.020 . 1 . . . . 2 ALA H . 19624 1 7 . 1 1 2 2 ALA HA H 1 4.292 0.020 . 1 . . . . 2 ALA HA . 19624 1 8 . 1 1 2 2 ALA N N 15 125.025 0.3 . 1 . . . . 2 ALA N . 19624 1 9 . 1 1 3 3 LYS H H 1 8.248 0.020 . 1 . . . . 3 LYS H . 19624 1 10 . 1 1 3 3 LYS HA H 1 4.518 0.020 . 1 . . . . 3 LYS HA . 19624 1 11 . 1 1 3 3 LYS HB2 H 1 1.674 0.020 . 2 . . . . 3 LYS HB2 . 19624 1 12 . 1 1 3 3 LYS HB3 H 1 1.815 0.020 . 2 . . . . 3 LYS HB3 . 19624 1 13 . 1 1 3 3 LYS HG2 H 1 1.453 0.020 . 2 . . . . 3 LYS HG2 . 19624 1 14 . 1 1 3 3 LYS HG3 H 1 1.496 0.020 . 2 . . . . 3 LYS HG3 . 19624 1 15 . 1 1 3 3 LYS N N 15 122.146 0.3 . 1 . . . . 3 LYS N . 19624 1 16 . 1 1 4 4 PRO HA H 1 4.429 0.020 . 1 . . . . 4 PRO HA . 19624 1 17 . 1 1 5 5 GLN H H 1 8.294 0.020 . 1 . . . . 5 GLN H . 19624 1 18 . 1 1 5 5 GLN HA H 1 4.510 0.020 . 1 . . . . 5 GLN HA . 19624 1 19 . 1 1 5 5 GLN HB2 H 1 1.812 0.020 . 2 . . . . 5 GLN HB2 . 19624 1 20 . 1 1 5 5 GLN HB3 H 1 2.023 0.020 . 2 . . . . 5 GLN HB3 . 19624 1 21 . 1 1 5 5 GLN HG2 H 1 2.168 0.020 . 2 . . . . 5 GLN HG2 . 19624 1 22 . 1 1 5 5 GLN HG3 H 1 2.314 0.020 . 2 . . . . 5 GLN HG3 . 19624 1 23 . 1 1 5 5 GLN HE21 H 1 7.430 0.020 . 1 . . . . 5 GLN HE21 . 19624 1 24 . 1 1 5 5 GLN HE22 H 1 6.834 0.020 . 1 . . . . 5 GLN HE22 . 19624 1 25 . 1 1 5 5 GLN N N 15 119.056 0.3 . 1 . . . . 5 GLN N . 19624 1 26 . 1 1 5 5 GLN NE2 N 15 112.550 0.3 . 1 . . . . 5 GLN NE2 . 19624 1 27 . 1 1 6 6 ILE H H 1 8.476 0.020 . 1 . . . . 6 ILE H . 19624 1 28 . 1 1 6 6 ILE HA H 1 4.289 0.020 . 1 . . . . 6 ILE HA . 19624 1 29 . 1 1 6 6 ILE HB H 1 1.713 0.020 . 1 . . . . 6 ILE HB . 19624 1 30 . 1 1 6 6 ILE HG12 H 1 0.708 0.020 . 2 . . . . 6 ILE HG12 . 19624 1 31 . 1 1 6 6 ILE HG13 H 1 1.467 0.020 . 2 . . . . 6 ILE HG13 . 19624 1 32 . 1 1 6 6 ILE HG21 H 1 0.967 0.020 . 1 . . . . 6 ILE QG2 . 19624 1 33 . 1 1 6 6 ILE HG22 H 1 0.967 0.020 . 1 . . . . 6 ILE QG2 . 19624 1 34 . 1 1 6 6 ILE HG23 H 1 0.967 0.020 . 1 . . . . 6 ILE QG2 . 19624 1 35 . 1 1 6 6 ILE HD11 H 1 0.207 0.020 . 1 . . . . 6 ILE QD1 . 19624 1 36 . 1 1 6 6 ILE HD12 H 1 0.207 0.020 . 1 . . . . 6 ILE QD1 . 19624 1 37 . 1 1 6 6 ILE HD13 H 1 0.207 0.020 . 1 . . . . 6 ILE QD1 . 19624 1 38 . 1 1 6 6 ILE N N 15 124.965 0.3 . 1 . . . . 6 ILE N . 19624 1 39 . 1 1 7 7 PRO HA H 1 4.375 0.020 . 1 . . . . 7 PRO HA . 19624 1 40 . 1 1 7 7 PRO HB2 H 1 2.090 0.020 . 2 . . . . 7 PRO HB2 . 19624 1 41 . 1 1 7 7 PRO HB3 H 1 2.448 0.020 . 2 . . . . 7 PRO HB3 . 19624 1 42 . 1 1 8 8 LYS H H 1 8.183 0.020 . 1 . . . . 8 LYS H . 19624 1 43 . 1 1 8 8 LYS HA H 1 4.254 0.020 . 1 . . . . 8 LYS HA . 19624 1 44 . 1 1 8 8 LYS HB2 H 1 1.757 0.020 . 2 . . . . 8 LYS HB2 . 19624 1 45 . 1 1 8 8 LYS HB3 H 1 1.908 0.020 . 2 . . . . 8 LYS HB3 . 19624 1 46 . 1 1 8 8 LYS HG2 H 1 1.510 0.020 . 2 . . . . 8 LYS HG2 . 19624 1 47 . 1 1 8 8 LYS HG3 H 1 1.583 0.020 . 2 . . . . 8 LYS HG3 . 19624 1 48 . 1 1 8 8 LYS HE2 H 1 2.816 0.020 . 1 . . . . 8 LYS HE2 . 19624 1 49 . 1 1 8 8 LYS HE3 H 1 2.816 0.020 . 1 . . . . 8 LYS HE3 . 19624 1 50 . 1 1 8 8 LYS N N 15 119.533 0.3 . 1 . . . . 8 LYS N . 19624 1 51 . 1 1 9 9 ASP H H 1 7.348 0.020 . 1 . . . . 9 ASP H . 19624 1 52 . 1 1 9 9 ASP HA H 1 4.587 0.020 . 1 . . . . 9 ASP HA . 19624 1 53 . 1 1 9 9 ASP HB2 H 1 2.620 0.020 . 2 . . . . 9 ASP HB2 . 19624 1 54 . 1 1 9 9 ASP HB3 H 1 2.807 0.020 . 2 . . . . 9 ASP HB3 . 19624 1 55 . 1 1 9 9 ASP N N 15 118.828 0.3 . 1 . . . . 9 ASP N . 19624 1 56 . 1 1 10 10 LYS H H 1 8.445 0.020 . 1 . . . . 10 LYS H . 19624 1 57 . 1 1 10 10 LYS HA H 1 3.874 0.020 . 1 . . . . 10 LYS HA . 19624 1 58 . 1 1 10 10 LYS HB2 H 1 1.787 0.020 . 2 . . . . 10 LYS HB2 . 19624 1 59 . 1 1 10 10 LYS HB3 H 1 2.113 0.020 . 2 . . . . 10 LYS HB3 . 19624 1 60 . 1 1 10 10 LYS HG2 H 1 1.500 0.020 . 2 . . . . 10 LYS HG2 . 19624 1 61 . 1 1 10 10 LYS HG3 H 1 1.663 0.020 . 2 . . . . 10 LYS HG3 . 19624 1 62 . 1 1 10 10 LYS HD2 H 1 1.617 0.020 . 2 . . . . 10 LYS HD2 . 19624 1 63 . 1 1 10 10 LYS HD3 H 1 1.693 0.020 . 2 . . . . 10 LYS HD3 . 19624 1 64 . 1 1 10 10 LYS N N 15 124.433 0.3 . 1 . . . . 10 LYS N . 19624 1 65 . 1 1 11 11 SER H H 1 8.663 0.020 . 1 . . . . 11 SER H . 19624 1 66 . 1 1 11 11 SER HA H 1 4.314 0.020 . 1 . . . . 11 SER HA . 19624 1 67 . 1 1 11 11 SER HB2 H 1 3.783 0.020 . 2 . . . . 11 SER HB2 . 19624 1 68 . 1 1 11 11 SER HB3 H 1 4.080 0.020 . 2 . . . . 11 SER HB3 . 19624 1 69 . 1 1 11 11 SER N N 15 111.151 0.3 . 1 . . . . 11 SER N . 19624 1 70 . 1 1 12 12 LYS H H 1 7.644 0.020 . 1 . . . . 12 LYS H . 19624 1 71 . 1 1 12 12 LYS HA H 1 4.531 0.020 . 1 . . . . 12 LYS HA . 19624 1 72 . 1 1 12 12 LYS HB2 H 1 1.826 0.020 . 1 . . . . 12 LYS HB2 . 19624 1 73 . 1 1 12 12 LYS HB3 H 1 1.826 0.020 . 1 . . . . 12 LYS HB3 . 19624 1 74 . 1 1 12 12 LYS HG2 H 1 1.345 0.020 . 2 . . . . 12 LYS HG2 . 19624 1 75 . 1 1 12 12 LYS HG3 H 1 1.465 0.020 . 2 . . . . 12 LYS HG3 . 19624 1 76 . 1 1 12 12 LYS HD3 H 1 1.712 0.020 . 1 . . . . 12 LYS HD3 . 19624 1 77 . 1 1 12 12 LYS N N 15 124.532 0.3 . 1 . . . . 12 LYS N . 19624 1 78 . 1 1 13 13 VAL H H 1 7.795 0.020 . 1 . . . . 13 VAL H . 19624 1 79 . 1 1 13 13 VAL HA H 1 2.864 0.020 . 1 . . . . 13 VAL HA . 19624 1 80 . 1 1 13 13 VAL HB H 1 1.730 0.020 . 1 . . . . 13 VAL HB . 19624 1 81 . 1 1 13 13 VAL HG11 H 1 0.593 0.020 . 2 . . . . 13 VAL QG1 . 19624 1 82 . 1 1 13 13 VAL HG12 H 1 0.593 0.020 . 2 . . . . 13 VAL QG1 . 19624 1 83 . 1 1 13 13 VAL HG13 H 1 0.593 0.020 . 2 . . . . 13 VAL QG1 . 19624 1 84 . 1 1 13 13 VAL HG21 H 1 0.709 0.020 . 2 . . . . 13 VAL QG2 . 19624 1 85 . 1 1 13 13 VAL HG22 H 1 0.709 0.020 . 2 . . . . 13 VAL QG2 . 19624 1 86 . 1 1 13 13 VAL HG23 H 1 0.709 0.020 . 2 . . . . 13 VAL QG2 . 19624 1 87 . 1 1 13 13 VAL N N 15 119.777 0.3 . 1 . . . . 13 VAL N . 19624 1 88 . 1 1 14 14 ALA H H 1 9.305 0.020 . 1 . . . . 14 ALA H . 19624 1 89 . 1 1 14 14 ALA HA H 1 4.432 0.020 . 1 . . . . 14 ALA HA . 19624 1 90 . 1 1 14 14 ALA N N 15 128.867 0.3 . 1 . . . . 14 ALA N . 19624 1 91 . 1 1 15 15 GLY H H 1 7.575 0.020 . 1 . . . . 15 GLY H . 19624 1 92 . 1 1 15 15 GLY HA2 H 1 4.094 0.020 . 2 . . . . 15 GLY HA2 . 19624 1 93 . 1 1 15 15 GLY HA3 H 1 4.189 0.020 . 2 . . . . 15 GLY HA3 . 19624 1 94 . 1 1 15 15 GLY N N 15 105.338 0.3 . 1 . . . . 15 GLY N . 19624 1 95 . 1 1 16 16 TYR H H 1 9.043 0.020 . 1 . . . . 16 TYR H . 19624 1 96 . 1 1 16 16 TYR HA H 1 5.222 0.020 . 1 . . . . 16 TYR HA . 19624 1 97 . 1 1 16 16 TYR HB2 H 1 2.705 0.020 . 2 . . . . 16 TYR HB2 . 19624 1 98 . 1 1 16 16 TYR HB3 H 1 2.845 0.020 . 2 . . . . 16 TYR HB3 . 19624 1 99 . 1 1 16 16 TYR HD1 H 1 6.857 0.020 . 1 . . . . 16 TYR HD1 . 19624 1 100 . 1 1 16 16 TYR HD2 H 1 6.857 0.020 . 1 . . . . 16 TYR HD2 . 19624 1 101 . 1 1 16 16 TYR N N 15 118.499 0.3 . 1 . . . . 16 TYR N . 19624 1 102 . 1 1 17 17 ILE H H 1 9.324 0.020 . 1 . . . . 17 ILE H . 19624 1 103 . 1 1 17 17 ILE HA H 1 5.577 0.020 . 1 . . . . 17 ILE HA . 19624 1 104 . 1 1 17 17 ILE HB H 1 1.406 0.020 . 1 . . . . 17 ILE HB . 19624 1 105 . 1 1 17 17 ILE HG12 H 1 0.909 0.020 . 1 . . . . 17 ILE HG12 . 19624 1 106 . 1 1 17 17 ILE HG21 H 1 0.569 0.020 . 1 . . . . 17 ILE QG2 . 19624 1 107 . 1 1 17 17 ILE HG22 H 1 0.569 0.020 . 1 . . . . 17 ILE QG2 . 19624 1 108 . 1 1 17 17 ILE HG23 H 1 0.569 0.020 . 1 . . . . 17 ILE QG2 . 19624 1 109 . 1 1 17 17 ILE HD11 H 1 0.849 0.020 . 1 . . . . 17 ILE QD1 . 19624 1 110 . 1 1 17 17 ILE HD12 H 1 0.849 0.020 . 1 . . . . 17 ILE QD1 . 19624 1 111 . 1 1 17 17 ILE HD13 H 1 0.849 0.020 . 1 . . . . 17 ILE QD1 . 19624 1 112 . 1 1 17 17 ILE N N 15 122.868 0.3 . 1 . . . . 17 ILE N . 19624 1 113 . 1 1 18 18 GLU H H 1 9.216 0.020 . 1 . . . . 18 GLU H . 19624 1 114 . 1 1 18 18 GLU HA H 1 5.404 0.020 . 1 . . . . 18 GLU HA . 19624 1 115 . 1 1 18 18 GLU HB2 H 1 2.122 0.020 . 1 . . . . 18 GLU HB2 . 19624 1 116 . 1 1 18 18 GLU HB3 H 1 2.122 0.020 . 1 . . . . 18 GLU HB3 . 19624 1 117 . 1 1 18 18 GLU HG2 H 1 2.333 0.020 . 1 . . . . 18 GLU HG2 . 19624 1 118 . 1 1 18 18 GLU HG3 H 1 2.333 0.020 . 1 . . . . 18 GLU HG3 . 19624 1 119 . 1 1 18 18 GLU N N 15 126.307 0.3 . 1 . . . . 18 GLU N . 19624 1 120 . 1 1 19 19 ILE H H 1 8.966 0.020 . 1 . . . . 19 ILE H . 19624 1 121 . 1 1 19 19 ILE HA H 1 4.969 0.020 . 1 . . . . 19 ILE HA . 19624 1 122 . 1 1 19 19 ILE HB H 1 1.913 0.020 . 1 . . . . 19 ILE HB . 19624 1 123 . 1 1 19 19 ILE HG12 H 1 0.899 0.020 . 2 . . . . 19 ILE HG12 . 19624 1 124 . 1 1 19 19 ILE HG13 H 1 1.421 0.020 . 2 . . . . 19 ILE HG13 . 19624 1 125 . 1 1 19 19 ILE HG21 H 1 0.734 0.020 . 1 . . . . 19 ILE QG2 . 19624 1 126 . 1 1 19 19 ILE HG22 H 1 0.734 0.020 . 1 . . . . 19 ILE QG2 . 19624 1 127 . 1 1 19 19 ILE HG23 H 1 0.734 0.020 . 1 . . . . 19 ILE QG2 . 19624 1 128 . 1 1 19 19 ILE HD11 H 1 0.410 0.020 . 1 . . . . 19 ILE QD1 . 19624 1 129 . 1 1 19 19 ILE HD12 H 1 0.410 0.020 . 1 . . . . 19 ILE QD1 . 19624 1 130 . 1 1 19 19 ILE HD13 H 1 0.410 0.020 . 1 . . . . 19 ILE QD1 . 19624 1 131 . 1 1 19 19 ILE N N 15 122.061 0.3 . 1 . . . . 19 ILE N . 19624 1 132 . 1 1 20 20 PRO HA H 1 4.565 0.020 . 1 . . . . 20 PRO HA . 19624 1 133 . 1 1 20 20 PRO HB2 H 1 2.176 0.020 . 2 . . . . 20 PRO HB2 . 19624 1 134 . 1 1 20 20 PRO HB3 H 1 2.510 0.020 . 2 . . . . 20 PRO HB3 . 19624 1 135 . 1 1 20 20 PRO HG3 H 1 2.312 0.020 . 1 . . . . 20 PRO HG3 . 19624 1 136 . 1 1 20 20 PRO HD3 H 1 4.220 0.020 . 1 . . . . 20 PRO HD3 . 19624 1 137 . 1 1 21 21 ASP H H 1 9.689 0.020 . 1 . . . . 21 ASP H . 19624 1 138 . 1 1 21 21 ASP HA H 1 4.445 0.020 . 1 . . . . 21 ASP HA . 19624 1 139 . 1 1 21 21 ASP HB2 H 1 2.430 0.020 . 2 . . . . 21 ASP HB2 . 19624 1 140 . 1 1 21 21 ASP HB3 H 1 2.772 0.020 . 2 . . . . 21 ASP HB3 . 19624 1 141 . 1 1 21 21 ASP N N 15 117.815 0.3 . 1 . . . . 21 ASP N . 19624 1 142 . 1 1 22 22 ALA H H 1 7.512 0.020 . 1 . . . . 22 ALA H . 19624 1 143 . 1 1 22 22 ALA HA H 1 4.520 0.020 . 1 . . . . 22 ALA HA . 19624 1 144 . 1 1 22 22 ALA N N 15 117.601 0.3 . 1 . . . . 22 ALA N . 19624 1 145 . 1 1 23 23 ASP H H 1 8.094 0.020 . 1 . . . . 23 ASP H . 19624 1 146 . 1 1 23 23 ASP HA H 1 4.308 0.020 . 1 . . . . 23 ASP HA . 19624 1 147 . 1 1 23 23 ASP HB2 H 1 2.548 0.020 . 2 . . . . 23 ASP HB2 . 19624 1 148 . 1 1 23 23 ASP HB3 H 1 3.064 0.020 . 2 . . . . 23 ASP HB3 . 19624 1 149 . 1 1 23 23 ASP N N 15 119.235 0.3 . 1 . . . . 23 ASP N . 19624 1 150 . 1 1 24 24 ILE H H 1 7.086 0.020 . 1 . . . . 24 ILE H . 19624 1 151 . 1 1 24 24 ILE HA H 1 4.437 0.020 . 1 . . . . 24 ILE HA . 19624 1 152 . 1 1 24 24 ILE HB H 1 1.422 0.020 . 1 . . . . 24 ILE HB . 19624 1 153 . 1 1 24 24 ILE HG12 H 1 1.132 0.020 . 2 . . . . 24 ILE HG12 . 19624 1 154 . 1 1 24 24 ILE HG13 H 1 1.269 0.020 . 2 . . . . 24 ILE HG13 . 19624 1 155 . 1 1 24 24 ILE HG21 H 1 0.895 0.020 . 1 . . . . 24 ILE QG2 . 19624 1 156 . 1 1 24 24 ILE HG22 H 1 0.895 0.020 . 1 . . . . 24 ILE QG2 . 19624 1 157 . 1 1 24 24 ILE HG23 H 1 0.895 0.020 . 1 . . . . 24 ILE QG2 . 19624 1 158 . 1 1 24 24 ILE HD11 H 1 0.635 0.020 . 1 . . . . 24 ILE QD1 . 19624 1 159 . 1 1 24 24 ILE HD12 H 1 0.635 0.020 . 1 . . . . 24 ILE QD1 . 19624 1 160 . 1 1 24 24 ILE HD13 H 1 0.635 0.020 . 1 . . . . 24 ILE QD1 . 19624 1 161 . 1 1 24 24 ILE N N 15 116.465 0.3 . 1 . . . . 24 ILE N . 19624 1 162 . 1 1 25 25 LYS H H 1 9.387 0.020 . 1 . . . . 25 LYS H . 19624 1 163 . 1 1 25 25 LYS HA H 1 5.017 0.020 . 1 . . . . 25 LYS HA . 19624 1 164 . 1 1 25 25 LYS HB2 H 1 1.767 0.020 . 2 . . . . 25 LYS HB2 . 19624 1 165 . 1 1 25 25 LYS HB3 H 1 1.898 0.020 . 2 . . . . 25 LYS HB3 . 19624 1 166 . 1 1 25 25 LYS HG2 H 1 1.276 0.020 . 2 . . . . 25 LYS HG2 . 19624 1 167 . 1 1 25 25 LYS HG3 H 1 1.434 0.020 . 2 . . . . 25 LYS HG3 . 19624 1 168 . 1 1 25 25 LYS HD3 H 1 1.693 0.020 . 1 . . . . 25 LYS HD3 . 19624 1 169 . 1 1 25 25 LYS N N 15 133.923 0.3 . 1 . . . . 25 LYS N . 19624 1 170 . 1 1 26 26 GLU H H 1 8.879 0.020 . 1 . . . . 26 GLU H . 19624 1 171 . 1 1 26 26 GLU HA H 1 5.233 0.020 . 1 . . . . 26 GLU HA . 19624 1 172 . 1 1 26 26 GLU HB2 H 1 1.373 0.020 . 2 . . . . 26 GLU HB2 . 19624 1 173 . 1 1 26 26 GLU HB3 H 1 2.106 0.020 . 2 . . . . 26 GLU HB3 . 19624 1 174 . 1 1 26 26 GLU HG2 H 1 2.261 0.020 . 1 . . . . 26 GLU HG2 . 19624 1 175 . 1 1 26 26 GLU HG3 H 1 2.261 0.020 . 1 . . . . 26 GLU HG3 . 19624 1 176 . 1 1 26 26 GLU N N 15 123.658 0.3 . 1 . . . . 26 GLU N . 19624 1 177 . 1 1 27 27 PRO HA H 1 4.377 0.020 . 1 . . . . 27 PRO HA . 19624 1 178 . 1 1 27 27 PRO HB2 H 1 1.609 0.020 . 2 . . . . 27 PRO HB2 . 19624 1 179 . 1 1 27 27 PRO HB3 H 1 2.054 0.020 . 2 . . . . 27 PRO HB3 . 19624 1 180 . 1 1 28 28 VAL H H 1 8.214 0.020 . 1 . . . . 28 VAL H . 19624 1 181 . 1 1 28 28 VAL HA H 1 4.342 0.020 . 1 . . . . 28 VAL HA . 19624 1 182 . 1 1 28 28 VAL HB H 1 1.161 0.020 . 1 . . . . 28 VAL HB . 19624 1 183 . 1 1 28 28 VAL HG11 H 1 0.123 0.020 . 2 . . . . 28 VAL QG1 . 19624 1 184 . 1 1 28 28 VAL HG12 H 1 0.123 0.020 . 2 . . . . 28 VAL QG1 . 19624 1 185 . 1 1 28 28 VAL HG13 H 1 0.123 0.020 . 2 . . . . 28 VAL QG1 . 19624 1 186 . 1 1 28 28 VAL HG21 H 1 0.538 0.020 . 2 . . . . 28 VAL QG2 . 19624 1 187 . 1 1 28 28 VAL HG22 H 1 0.538 0.020 . 2 . . . . 28 VAL QG2 . 19624 1 188 . 1 1 28 28 VAL HG23 H 1 0.538 0.020 . 2 . . . . 28 VAL QG2 . 19624 1 189 . 1 1 28 28 VAL N N 15 120.471 0.3 . 1 . . . . 28 VAL N . 19624 1 190 . 1 1 29 29 TYR H H 1 9.411 0.020 . 1 . . . . 29 TYR H . 19624 1 191 . 1 1 29 29 TYR HA H 1 4.711 0.020 . 1 . . . . 29 TYR HA . 19624 1 192 . 1 1 29 29 TYR HB2 H 1 2.844 0.020 . 2 . . . . 29 TYR HB2 . 19624 1 193 . 1 1 29 29 TYR HB3 H 1 2.941 0.020 . 2 . . . . 29 TYR HB3 . 19624 1 194 . 1 1 29 29 TYR HD1 H 1 6.928 0.020 . 1 . . . . 29 TYR HD1 . 19624 1 195 . 1 1 29 29 TYR HD2 H 1 6.928 0.020 . 1 . . . . 29 TYR HD2 . 19624 1 196 . 1 1 29 29 TYR HE1 H 1 6.579 0.020 . 1 . . . . 29 TYR HE1 . 19624 1 197 . 1 1 29 29 TYR HE2 H 1 6.579 0.020 . 1 . . . . 29 TYR HE2 . 19624 1 198 . 1 1 29 29 TYR N N 15 127.900 0.3 . 1 . . . . 29 TYR N . 19624 1 199 . 1 1 30 30 PRO HA H 1 4.523 0.020 . 1 . . . . 30 PRO HA . 19624 1 200 . 1 1 30 30 PRO HB2 H 1 1.787 0.020 . 2 . . . . 30 PRO HB2 . 19624 1 201 . 1 1 30 30 PRO HB3 H 1 2.657 0.020 . 2 . . . . 30 PRO HB3 . 19624 1 202 . 1 1 31 31 GLY H H 1 8.522 0.020 . 1 . . . . 31 GLY H . 19624 1 203 . 1 1 31 31 GLY HA2 H 1 3.521 0.020 . 2 . . . . 31 GLY HA2 . 19624 1 204 . 1 1 31 31 GLY HA3 H 1 4.368 0.020 . 2 . . . . 31 GLY HA3 . 19624 1 205 . 1 1 31 31 GLY N N 15 106.927 0.3 . 1 . . . . 31 GLY N . 19624 1 206 . 1 1 32 32 PRO HA H 1 4.097 0.020 . 1 . . . . 32 PRO HA . 19624 1 207 . 1 1 32 32 PRO HB2 H 1 2.257 0.020 . 2 . . . . 32 PRO HB2 . 19624 1 208 . 1 1 32 32 PRO HB3 H 1 2.412 0.020 . 2 . . . . 32 PRO HB3 . 19624 1 209 . 1 1 32 32 PRO HG3 H 1 2.048 0.020 . 1 . . . . 32 PRO HG3 . 19624 1 210 . 1 1 32 32 PRO HD2 H 1 3.472 0.020 . 1 . . . . 32 PRO HD2 . 19624 1 211 . 1 1 33 33 ALA H H 1 7.479 0.020 . 1 . . . . 33 ALA H . 19624 1 212 . 1 1 33 33 ALA HA H 1 4.391 0.020 . 1 . . . . 33 ALA HA . 19624 1 213 . 1 1 33 33 ALA N N 15 122.213 0.3 . 1 . . . . 33 ALA N . 19624 1 214 . 1 1 34 34 THR H H 1 7.923 0.020 . 1 . . . . 34 THR H . 19624 1 215 . 1 1 34 34 THR HA H 1 4.472 0.020 . 1 . . . . 34 THR HA . 19624 1 216 . 1 1 34 34 THR HB H 1 4.612 0.020 . 1 . . . . 34 THR HB . 19624 1 217 . 1 1 34 34 THR HG21 H 1 1.267 0.020 . 1 . . . . 34 THR QG2 . 19624 1 218 . 1 1 34 34 THR HG22 H 1 1.267 0.020 . 1 . . . . 34 THR QG2 . 19624 1 219 . 1 1 34 34 THR HG23 H 1 1.267 0.020 . 1 . . . . 34 THR QG2 . 19624 1 220 . 1 1 34 34 THR N N 15 115.504 0.3 . 1 . . . . 34 THR N . 19624 1 221 . 1 1 35 35 PRO HA H 1 4.243 0.020 . 1 . . . . 35 PRO HA . 19624 1 222 . 1 1 36 36 GLU H H 1 8.265 0.020 . 1 . . . . 36 GLU H . 19624 1 223 . 1 1 36 36 GLU HA H 1 3.964 0.020 . 1 . . . . 36 GLU HA . 19624 1 224 . 1 1 36 36 GLU HB2 H 1 1.874 0.020 . 2 . . . . 36 GLU HB2 . 19624 1 225 . 1 1 36 36 GLU HB3 H 1 2.023 0.020 . 2 . . . . 36 GLU HB3 . 19624 1 226 . 1 1 36 36 GLU HG2 H 1 2.214 0.020 . 1 . . . . 36 GLU HG2 . 19624 1 227 . 1 1 36 36 GLU HG3 H 1 2.214 0.020 . 1 . . . . 36 GLU HG3 . 19624 1 228 . 1 1 36 36 GLU N N 15 115.485 0.3 . 1 . . . . 36 GLU N . 19624 1 229 . 1 1 37 37 GLN H H 1 7.678 0.020 . 1 . . . . 37 GLN H . 19624 1 230 . 1 1 37 37 GLN HA H 1 4.350 0.020 . 1 . . . . 37 GLN HA . 19624 1 231 . 1 1 37 37 GLN HB2 H 1 2.210 0.020 . 2 . . . . 37 GLN HB2 . 19624 1 232 . 1 1 37 37 GLN HB3 H 1 2.323 0.020 . 2 . . . . 37 GLN HB3 . 19624 1 233 . 1 1 37 37 GLN HG2 H 1 2.431 0.020 . 2 . . . . 37 GLN HG2 . 19624 1 234 . 1 1 37 37 GLN HG3 H 1 3.000 0.020 . 2 . . . . 37 GLN HG3 . 19624 1 235 . 1 1 37 37 GLN N N 15 121.319 0.3 . 1 . . . . 37 GLN N . 19624 1 236 . 1 1 38 38 LEU H H 1 8.376 0.020 . 1 . . . . 38 LEU H . 19624 1 237 . 1 1 38 38 LEU HA H 1 4.877 0.020 . 1 . . . . 38 LEU HA . 19624 1 238 . 1 1 38 38 LEU HB2 H 1 1.160 0.020 . 2 . . . . 38 LEU HB2 . 19624 1 239 . 1 1 38 38 LEU HB3 H 1 1.466 0.020 . 2 . . . . 38 LEU HB3 . 19624 1 240 . 1 1 38 38 LEU HG H 1 1.388 0.020 . 1 . . . . 38 LEU HG . 19624 1 241 . 1 1 38 38 LEU HD11 H 1 -0.038 0.020 . 2 . . . . 38 LEU QD1 . 19624 1 242 . 1 1 38 38 LEU HD12 H 1 -0.038 0.020 . 2 . . . . 38 LEU QD1 . 19624 1 243 . 1 1 38 38 LEU HD13 H 1 -0.038 0.020 . 2 . . . . 38 LEU QD1 . 19624 1 244 . 1 1 38 38 LEU HD21 H 1 0.358 0.020 . 2 . . . . 38 LEU QD2 . 19624 1 245 . 1 1 38 38 LEU HD22 H 1 0.358 0.020 . 2 . . . . 38 LEU QD2 . 19624 1 246 . 1 1 38 38 LEU HD23 H 1 0.358 0.020 . 2 . . . . 38 LEU QD2 . 19624 1 247 . 1 1 38 38 LEU N N 15 116.728 0.3 . 1 . . . . 38 LEU N . 19624 1 248 . 1 1 39 39 ASN H H 1 7.531 0.020 . 1 . . . . 39 ASN H . 19624 1 249 . 1 1 39 39 ASN HA H 1 4.357 0.020 . 1 . . . . 39 ASN HA . 19624 1 250 . 1 1 39 39 ASN HB2 H 1 2.802 0.020 . 2 . . . . 39 ASN HB2 . 19624 1 251 . 1 1 39 39 ASN HB3 H 1 2.917 0.020 . 2 . . . . 39 ASN HB3 . 19624 1 252 . 1 1 39 39 ASN HD21 H 1 7.567 0.020 . 1 . . . . 39 ASN HD21 . 19624 1 253 . 1 1 39 39 ASN HD22 H 1 6.879 0.020 . 1 . . . . 39 ASN HD22 . 19624 1 254 . 1 1 39 39 ASN N N 15 116.110 0.3 . 1 . . . . 39 ASN N . 19624 1 255 . 1 1 39 39 ASN ND2 N 15 112.817 0.3 . 1 . . . . 39 ASN ND2 . 19624 1 256 . 1 1 40 40 ARG H H 1 7.693 0.020 . 1 . . . . 40 ARG H . 19624 1 257 . 1 1 40 40 ARG HA H 1 3.966 0.020 . 1 . . . . 40 ARG HA . 19624 1 258 . 1 1 40 40 ARG HB2 H 1 0.906 0.020 . 2 . . . . 40 ARG HB2 . 19624 1 259 . 1 1 40 40 ARG HB3 H 1 1.441 0.020 . 2 . . . . 40 ARG HB3 . 19624 1 260 . 1 1 40 40 ARG HG2 H 1 0.895 0.020 . 2 . . . . 40 ARG HG2 . 19624 1 261 . 1 1 40 40 ARG HG3 H 1 1.377 0.020 . 2 . . . . 40 ARG HG3 . 19624 1 262 . 1 1 40 40 ARG HD2 H 1 2.609 0.020 . 2 . . . . 40 ARG HD2 . 19624 1 263 . 1 1 40 40 ARG HD3 H 1 2.759 0.020 . 2 . . . . 40 ARG HD3 . 19624 1 264 . 1 1 40 40 ARG HE H 1 7.120 0.020 . 1 . . . . 40 ARG HE . 19624 1 265 . 1 1 40 40 ARG N N 15 121.317 0.3 . 1 . . . . 40 ARG N . 19624 1 266 . 1 1 40 40 ARG NE N 15 85.576 0.3 . 1 . . . . 40 ARG NE . 19624 1 267 . 1 1 41 41 GLY H H 1 7.918 0.020 . 1 . . . . 41 GLY H . 19624 1 268 . 1 1 41 41 GLY HA2 H 1 3.875 0.020 . 2 . . . . 41 GLY HA2 . 19624 1 269 . 1 1 41 41 GLY HA3 H 1 4.114 0.020 . 2 . . . . 41 GLY HA3 . 19624 1 270 . 1 1 41 41 GLY N N 15 105.984 0.3 . 1 . . . . 41 GLY N . 19624 1 271 . 1 1 42 42 VAL H H 1 8.330 0.020 . 1 . . . . 42 VAL H . 19624 1 272 . 1 1 42 42 VAL HA H 1 3.841 0.020 . 1 . . . . 42 VAL HA . 19624 1 273 . 1 1 42 42 VAL HB H 1 1.864 0.020 . 1 . . . . 42 VAL HB . 19624 1 274 . 1 1 42 42 VAL HG11 H 1 0.123 0.020 . 2 . . . . 42 VAL QG1 . 19624 1 275 . 1 1 42 42 VAL HG12 H 1 0.123 0.020 . 2 . . . . 42 VAL QG1 . 19624 1 276 . 1 1 42 42 VAL HG13 H 1 0.123 0.020 . 2 . . . . 42 VAL QG1 . 19624 1 277 . 1 1 42 42 VAL HG21 H 1 0.351 0.020 . 2 . . . . 42 VAL QG2 . 19624 1 278 . 1 1 42 42 VAL HG22 H 1 0.351 0.020 . 2 . . . . 42 VAL QG2 . 19624 1 279 . 1 1 42 42 VAL HG23 H 1 0.351 0.020 . 2 . . . . 42 VAL QG2 . 19624 1 280 . 1 1 42 42 VAL N N 15 116.388 0.3 . 1 . . . . 42 VAL N . 19624 1 281 . 1 1 43 43 SER H H 1 8.219 0.020 . 1 . . . . 43 SER H . 19624 1 282 . 1 1 43 43 SER HA H 1 5.577 0.020 . 1 . . . . 43 SER HA . 19624 1 283 . 1 1 43 43 SER HB2 H 1 3.226 0.020 . 2 . . . . 43 SER HB2 . 19624 1 284 . 1 1 43 43 SER HB3 H 1 3.625 0.020 . 2 . . . . 43 SER HB3 . 19624 1 285 . 1 1 43 43 SER N N 15 117.304 0.3 . 1 . . . . 43 SER N . 19624 1 286 . 1 1 44 44 PHE H H 1 8.003 0.020 . 1 . . . . 44 PHE H . 19624 1 287 . 1 1 44 44 PHE HA H 1 4.596 0.020 . 1 . . . . 44 PHE HA . 19624 1 288 . 1 1 44 44 PHE HB2 H 1 2.915 0.020 . 2 . . . . 44 PHE HB2 . 19624 1 289 . 1 1 44 44 PHE HB3 H 1 3.309 0.020 . 2 . . . . 44 PHE HB3 . 19624 1 290 . 1 1 44 44 PHE HD1 H 1 7.352 0.020 . 1 . . . . 44 PHE HD1 . 19624 1 291 . 1 1 44 44 PHE HD2 H 1 7.352 0.020 . 1 . . . . 44 PHE HD2 . 19624 1 292 . 1 1 44 44 PHE HE1 H 1 6.933 0.020 . 1 . . . . 44 PHE HE1 . 19624 1 293 . 1 1 44 44 PHE HE2 H 1 6.933 0.020 . 1 . . . . 44 PHE HE2 . 19624 1 294 . 1 1 44 44 PHE N N 15 121.182 0.3 . 1 . . . . 44 PHE N . 19624 1 295 . 1 1 45 45 ALA H H 1 7.936 0.020 . 1 . . . . 45 ALA H . 19624 1 296 . 1 1 45 45 ALA HA H 1 3.997 0.020 . 1 . . . . 45 ALA HA . 19624 1 297 . 1 1 45 45 ALA N N 15 120.944 0.3 . 1 . . . . 45 ALA N . 19624 1 298 . 1 1 46 46 GLU H H 1 8.280 0.020 . 1 . . . . 46 GLU H . 19624 1 299 . 1 1 46 46 GLU HA H 1 4.839 0.020 . 1 . . . . 46 GLU HA . 19624 1 300 . 1 1 46 46 GLU HB2 H 1 1.879 0.020 . 1 . . . . 46 GLU HB2 . 19624 1 301 . 1 1 46 46 GLU HB3 H 1 1.879 0.020 . 1 . . . . 46 GLU HB3 . 19624 1 302 . 1 1 46 46 GLU HG2 H 1 2.285 0.020 . 1 . . . . 46 GLU HG2 . 19624 1 303 . 1 1 46 46 GLU HG3 H 1 2.285 0.020 . 1 . . . . 46 GLU HG3 . 19624 1 304 . 1 1 46 46 GLU N N 15 114.718 0.3 . 1 . . . . 46 GLU N . 19624 1 305 . 1 1 47 47 GLU H H 1 9.028 0.020 . 1 . . . . 47 GLU H . 19624 1 306 . 1 1 47 47 GLU HA H 1 3.810 0.020 . 1 . . . . 47 GLU HA . 19624 1 307 . 1 1 47 47 GLU HB2 H 1 1.935 0.020 . 2 . . . . 47 GLU HB2 . 19624 1 308 . 1 1 47 47 GLU HB3 H 1 2.185 0.020 . 2 . . . . 47 GLU HB3 . 19624 1 309 . 1 1 47 47 GLU HG2 H 1 2.260 0.020 . 1 . . . . 47 GLU HG2 . 19624 1 310 . 1 1 47 47 GLU N N 15 121.160 0.3 . 1 . . . . 47 GLU N . 19624 1 311 . 1 1 48 48 ASN H H 1 8.355 0.020 . 1 . . . . 48 ASN H . 19624 1 312 . 1 1 48 48 ASN HA H 1 4.741 0.020 . 1 . . . . 48 ASN HA . 19624 1 313 . 1 1 48 48 ASN HB2 H 1 2.752 0.020 . 2 . . . . 48 ASN HB2 . 19624 1 314 . 1 1 48 48 ASN HB3 H 1 2.852 0.020 . 2 . . . . 48 ASN HB3 . 19624 1 315 . 1 1 48 48 ASN HD21 H 1 7.566 0.020 . 1 . . . . 48 ASN HD21 . 19624 1 316 . 1 1 48 48 ASN HD22 H 1 6.844 0.020 . 1 . . . . 48 ASN HD22 . 19624 1 317 . 1 1 48 48 ASN N N 15 117.386 0.3 . 1 . . . . 48 ASN N . 19624 1 318 . 1 1 48 48 ASN ND2 N 15 113.182 0.3 . 1 . . . . 48 ASN ND2 . 19624 1 319 . 1 1 49 49 GLU H H 1 7.521 0.020 . 1 . . . . 49 GLU H . 19624 1 320 . 1 1 49 49 GLU HA H 1 4.326 0.020 . 1 . . . . 49 GLU HA . 19624 1 321 . 1 1 49 49 GLU HB2 H 1 1.625 0.020 . 2 . . . . 49 GLU HB2 . 19624 1 322 . 1 1 49 49 GLU HB3 H 1 1.967 0.020 . 2 . . . . 49 GLU HB3 . 19624 1 323 . 1 1 49 49 GLU HG2 H 1 2.347 0.020 . 1 . . . . 49 GLU HG2 . 19624 1 324 . 1 1 49 49 GLU HG3 H 1 2.347 0.020 . 1 . . . . 49 GLU HG3 . 19624 1 325 . 1 1 49 49 GLU N N 15 119.155 0.3 . 1 . . . . 49 GLU N . 19624 1 326 . 1 1 50 50 SER H H 1 8.515 0.020 . 1 . . . . 50 SER H . 19624 1 327 . 1 1 50 50 SER HA H 1 3.888 0.020 . 1 . . . . 50 SER HA . 19624 1 328 . 1 1 50 50 SER HB2 H 1 3.724 0.020 . 1 . . . . 50 SER HB2 . 19624 1 329 . 1 1 50 50 SER HB3 H 1 3.724 0.020 . 1 . . . . 50 SER HB3 . 19624 1 330 . 1 1 50 50 SER N N 15 116.221 0.3 . 1 . . . . 50 SER N . 19624 1 331 . 1 1 51 51 LEU H H 1 8.660 0.020 . 1 . . . . 51 LEU H . 19624 1 332 . 1 1 51 51 LEU HA H 1 4.254 0.020 . 1 . . . . 51 LEU HA . 19624 1 333 . 1 1 51 51 LEU HB2 H 1 1.581 0.020 . 2 . . . . 51 LEU HB2 . 19624 1 334 . 1 1 51 51 LEU HB3 H 1 1.750 0.020 . 2 . . . . 51 LEU HB3 . 19624 1 335 . 1 1 51 51 LEU HG H 1 1.644 0.020 . 1 . . . . 51 LEU HG . 19624 1 336 . 1 1 51 51 LEU HD11 H 1 0.772 0.020 . 2 . . . . 51 LEU QD1 . 19624 1 337 . 1 1 51 51 LEU HD12 H 1 0.772 0.020 . 2 . . . . 51 LEU QD1 . 19624 1 338 . 1 1 51 51 LEU HD13 H 1 0.772 0.020 . 2 . . . . 51 LEU QD1 . 19624 1 339 . 1 1 51 51 LEU HD21 H 1 0.847 0.020 . 2 . . . . 51 LEU QD2 . 19624 1 340 . 1 1 51 51 LEU HD22 H 1 0.847 0.020 . 2 . . . . 51 LEU QD2 . 19624 1 341 . 1 1 51 51 LEU HD23 H 1 0.847 0.020 . 2 . . . . 51 LEU QD2 . 19624 1 342 . 1 1 51 51 LEU N N 15 123.094 0.3 . 1 . . . . 51 LEU N . 19624 1 343 . 1 1 52 52 ASP H H 1 8.238 0.020 . 1 . . . . 52 ASP H . 19624 1 344 . 1 1 52 52 ASP HA H 1 4.804 0.020 . 1 . . . . 52 ASP HA . 19624 1 345 . 1 1 52 52 ASP HB2 H 1 2.464 0.020 . 2 . . . . 52 ASP HB2 . 19624 1 346 . 1 1 52 52 ASP HB3 H 1 2.812 0.020 . 2 . . . . 52 ASP HB3 . 19624 1 347 . 1 1 52 52 ASP N N 15 119.473 0.3 . 1 . . . . 52 ASP N . 19624 1 348 . 1 1 53 53 ASP H H 1 7.555 0.020 . 1 . . . . 53 ASP H . 19624 1 349 . 1 1 53 53 ASP HA H 1 4.516 0.020 . 1 . . . . 53 ASP HA . 19624 1 350 . 1 1 53 53 ASP HB2 H 1 2.861 0.020 . 1 . . . . 53 ASP HB2 . 19624 1 351 . 1 1 53 53 ASP HB3 H 1 2.861 0.020 . 1 . . . . 53 ASP HB3 . 19624 1 352 . 1 1 53 53 ASP N N 15 121.400 0.3 . 1 . . . . 53 ASP N . 19624 1 353 . 1 1 54 54 GLN H H 1 8.597 0.020 . 1 . . . . 54 GLN H . 19624 1 354 . 1 1 54 54 GLN HA H 1 3.990 0.020 . 1 . . . . 54 GLN HA . 19624 1 355 . 1 1 54 54 GLN HB2 H 1 2.103 0.020 . 1 . . . . 54 GLN HB2 . 19624 1 356 . 1 1 54 54 GLN HB3 H 1 2.103 0.020 . 1 . . . . 54 GLN HB3 . 19624 1 357 . 1 1 54 54 GLN N N 15 120.608 0.3 . 1 . . . . 54 GLN N . 19624 1 358 . 1 1 55 55 ASN H H 1 7.900 0.020 . 1 . . . . 55 ASN H . 19624 1 359 . 1 1 55 55 ASN HA H 1 5.312 0.020 . 1 . . . . 55 ASN HA . 19624 1 360 . 1 1 55 55 ASN HB2 H 1 2.492 0.020 . 2 . . . . 55 ASN HB2 . 19624 1 361 . 1 1 55 55 ASN HB3 H 1 2.696 0.020 . 2 . . . . 55 ASN HB3 . 19624 1 362 . 1 1 55 55 ASN HD21 H 1 7.395 0.020 . 1 . . . . 55 ASN HD21 . 19624 1 363 . 1 1 55 55 ASN HD22 H 1 6.184 0.020 . 1 . . . . 55 ASN HD22 . 19624 1 364 . 1 1 55 55 ASN N N 15 114.588 0.3 . 1 . . . . 55 ASN N . 19624 1 365 . 1 1 55 55 ASN ND2 N 15 110.926 0.3 . 1 . . . . 55 ASN ND2 . 19624 1 366 . 1 1 56 56 ILE H H 1 7.687 0.020 . 1 . . . . 56 ILE H . 19624 1 367 . 1 1 56 56 ILE HA H 1 4.361 0.020 . 1 . . . . 56 ILE HA . 19624 1 368 . 1 1 56 56 ILE HB H 1 1.605 0.020 . 1 . . . . 56 ILE HB . 19624 1 369 . 1 1 56 56 ILE HG12 H 1 1.170 0.020 . 2 . . . . 56 ILE HG12 . 19624 1 370 . 1 1 56 56 ILE HG13 H 1 1.706 0.020 . 2 . . . . 56 ILE HG13 . 19624 1 371 . 1 1 56 56 ILE HG21 H 1 0.837 0.020 . 1 . . . . 56 ILE QG2 . 19624 1 372 . 1 1 56 56 ILE HG22 H 1 0.837 0.020 . 1 . . . . 56 ILE QG2 . 19624 1 373 . 1 1 56 56 ILE HG23 H 1 0.837 0.020 . 1 . . . . 56 ILE QG2 . 19624 1 374 . 1 1 56 56 ILE N N 15 125.976 0.3 . 1 . . . . 56 ILE N . 19624 1 375 . 1 1 57 57 SER H H 1 8.624 0.020 . 1 . . . . 57 SER H . 19624 1 376 . 1 1 57 57 SER HA H 1 5.957 0.020 . 1 . . . . 57 SER HA . 19624 1 377 . 1 1 57 57 SER HB2 H 1 3.621 0.020 . 2 . . . . 57 SER HB2 . 19624 1 378 . 1 1 57 57 SER HB3 H 1 3.776 0.020 . 2 . . . . 57 SER HB3 . 19624 1 379 . 1 1 57 57 SER N N 15 121.481 0.3 . 1 . . . . 57 SER N . 19624 1 380 . 1 1 58 58 ILE H H 1 9.056 0.020 . 1 . . . . 58 ILE H . 19624 1 381 . 1 1 58 58 ILE HA H 1 4.304 0.020 . 1 . . . . 58 ILE HA . 19624 1 382 . 1 1 58 58 ILE HB H 1 1.350 0.020 . 1 . . . . 58 ILE HB . 19624 1 383 . 1 1 58 58 ILE HG12 H 1 0.350 0.020 . 2 . . . . 58 ILE HG12 . 19624 1 384 . 1 1 58 58 ILE HG13 H 1 1.128 0.020 . 2 . . . . 58 ILE HG13 . 19624 1 385 . 1 1 58 58 ILE HG21 H 1 0.438 0.020 . 1 . . . . 58 ILE QG2 . 19624 1 386 . 1 1 58 58 ILE HG22 H 1 0.438 0.020 . 1 . . . . 58 ILE QG2 . 19624 1 387 . 1 1 58 58 ILE HG23 H 1 0.438 0.020 . 1 . . . . 58 ILE QG2 . 19624 1 388 . 1 1 58 58 ILE HD11 H 1 0.083 0.020 . 1 . . . . 58 ILE QD1 . 19624 1 389 . 1 1 58 58 ILE HD12 H 1 0.083 0.020 . 1 . . . . 58 ILE QD1 . 19624 1 390 . 1 1 58 58 ILE HD13 H 1 0.083 0.020 . 1 . . . . 58 ILE QD1 . 19624 1 391 . 1 1 58 58 ILE N N 15 126.071 0.3 . 1 . . . . 58 ILE N . 19624 1 392 . 1 1 59 59 ALA H H 1 9.363 0.020 . 1 . . . . 59 ALA H . 19624 1 393 . 1 1 59 59 ALA HA H 1 5.780 0.020 . 1 . . . . 59 ALA HA . 19624 1 394 . 1 1 59 59 ALA N N 15 130.017 0.3 . 1 . . . . 59 ALA N . 19624 1 395 . 1 1 60 60 GLY H H 1 8.205 0.020 . 1 . . . . 60 GLY H . 19624 1 396 . 1 1 60 60 GLY HA2 H 1 2.584 0.020 . 2 . . . . 60 GLY HA2 . 19624 1 397 . 1 1 60 60 GLY HA3 H 1 3.915 0.020 . 2 . . . . 60 GLY HA3 . 19624 1 398 . 1 1 60 60 GLY N N 15 102.533 0.3 . 1 . . . . 60 GLY N . 19624 1 399 . 1 1 61 61 HIS H H 1 9.173 0.020 . 1 . . . . 61 HIS H . 19624 1 400 . 1 1 61 61 HIS HA H 1 4.523 0.020 . 1 . . . . 61 HIS HA . 19624 1 401 . 1 1 61 61 HIS HB2 H 1 2.498 0.020 . 2 . . . . 61 HIS HB2 . 19624 1 402 . 1 1 61 61 HIS HB3 H 1 2.740 0.020 . 2 . . . . 61 HIS HB3 . 19624 1 403 . 1 1 61 61 HIS N N 15 117.143 0.3 . 1 . . . . 61 HIS N . 19624 1 404 . 1 1 62 62 THR H H 1 7.977 0.020 . 1 . . . . 62 THR H . 19624 1 405 . 1 1 62 62 THR HA H 1 4.889 0.020 . 1 . . . . 62 THR HA . 19624 1 406 . 1 1 62 62 THR HB H 1 3.864 0.020 . 1 . . . . 62 THR HB . 19624 1 407 . 1 1 62 62 THR HG21 H 1 1.171 0.020 . 1 . . . . 62 THR QG2 . 19624 1 408 . 1 1 62 62 THR HG22 H 1 1.171 0.020 . 1 . . . . 62 THR QG2 . 19624 1 409 . 1 1 62 62 THR HG23 H 1 1.171 0.020 . 1 . . . . 62 THR QG2 . 19624 1 410 . 1 1 62 62 THR N N 15 111.163 0.3 . 1 . . . . 62 THR N . 19624 1 411 . 1 1 63 63 PHE H H 1 8.699 0.020 . 1 . . . . 63 PHE H . 19624 1 412 . 1 1 63 63 PHE HA H 1 5.130 0.020 . 1 . . . . 63 PHE HA . 19624 1 413 . 1 1 63 63 PHE HB2 H 1 2.823 0.020 . 2 . . . . 63 PHE HB2 . 19624 1 414 . 1 1 63 63 PHE HB3 H 1 3.243 0.020 . 2 . . . . 63 PHE HB3 . 19624 1 415 . 1 1 63 63 PHE HD1 H 1 7.185 0.020 . 1 . . . . 63 PHE HD1 . 19624 1 416 . 1 1 63 63 PHE HD2 H 1 7.185 0.020 . 1 . . . . 63 PHE HD2 . 19624 1 417 . 1 1 63 63 PHE N N 15 126.058 0.3 . 1 . . . . 63 PHE N . 19624 1 418 . 1 1 64 64 ILE H H 1 8.598 0.020 . 1 . . . . 64 ILE H . 19624 1 419 . 1 1 64 64 ILE HA H 1 3.961 0.020 . 1 . . . . 64 ILE HA . 19624 1 420 . 1 1 64 64 ILE HB H 1 1.878 0.020 . 1 . . . . 64 ILE HB . 19624 1 421 . 1 1 64 64 ILE HG12 H 1 1.280 0.020 . 2 . . . . 64 ILE HG12 . 19624 1 422 . 1 1 64 64 ILE HG13 H 1 1.479 0.020 . 2 . . . . 64 ILE HG13 . 19624 1 423 . 1 1 64 64 ILE HG21 H 1 0.943 0.020 . 1 . . . . 64 ILE QG2 . 19624 1 424 . 1 1 64 64 ILE HG22 H 1 0.943 0.020 . 1 . . . . 64 ILE QG2 . 19624 1 425 . 1 1 64 64 ILE HG23 H 1 0.943 0.020 . 1 . . . . 64 ILE QG2 . 19624 1 426 . 1 1 64 64 ILE HD11 H 1 0.878 0.020 . 1 . . . . 64 ILE QD1 . 19624 1 427 . 1 1 64 64 ILE HD12 H 1 0.878 0.020 . 1 . . . . 64 ILE QD1 . 19624 1 428 . 1 1 64 64 ILE HD13 H 1 0.878 0.020 . 1 . . . . 64 ILE QD1 . 19624 1 429 . 1 1 64 64 ILE N N 15 122.159 0.3 . 1 . . . . 64 ILE N . 19624 1 430 . 1 1 65 65 ASP H H 1 8.322 0.020 . 1 . . . . 65 ASP H . 19624 1 431 . 1 1 65 65 ASP HA H 1 4.594 0.020 . 1 . . . . 65 ASP HA . 19624 1 432 . 1 1 65 65 ASP HB2 H 1 2.634 0.020 . 2 . . . . 65 ASP HB2 . 19624 1 433 . 1 1 65 65 ASP HB3 H 1 2.732 0.020 . 2 . . . . 65 ASP HB3 . 19624 1 434 . 1 1 65 65 ASP N N 15 116.910 0.3 . 1 . . . . 65 ASP N . 19624 1 435 . 1 1 66 66 ARG H H 1 7.646 0.020 . 1 . . . . 66 ARG H . 19624 1 436 . 1 1 66 66 ARG HA H 1 4.835 0.020 . 1 . . . . 66 ARG HA . 19624 1 437 . 1 1 66 66 ARG HB2 H 1 1.697 0.020 . 2 . . . . 66 ARG HB2 . 19624 1 438 . 1 1 66 66 ARG HB3 H 1 1.817 0.020 . 2 . . . . 66 ARG HB3 . 19624 1 439 . 1 1 66 66 ARG HG2 H 1 1.423 0.020 . 1 . . . . 66 ARG HG2 . 19624 1 440 . 1 1 66 66 ARG HG3 H 1 1.423 0.020 . 1 . . . . 66 ARG HG3 . 19624 1 441 . 1 1 66 66 ARG HD2 H 1 2.516 0.020 . 2 . . . . 66 ARG HD2 . 19624 1 442 . 1 1 66 66 ARG HD3 H 1 2.580 0.020 . 2 . . . . 66 ARG HD3 . 19624 1 443 . 1 1 66 66 ARG HE H 1 6.780 0.020 . 1 . . . . 66 ARG HE . 19624 1 444 . 1 1 66 66 ARG N N 15 119.515 0.3 . 1 . . . . 66 ARG N . 19624 1 445 . 1 1 66 66 ARG NE N 15 84.045 0.3 . 1 . . . . 66 ARG NE . 19624 1 446 . 1 1 67 67 PRO HA H 1 4.321 0.020 . 1 . . . . 67 PRO HA . 19624 1 447 . 1 1 67 67 PRO HB2 H 1 1.880 0.020 . 2 . . . . 67 PRO HB2 . 19624 1 448 . 1 1 67 67 PRO HB3 H 1 2.318 0.020 . 2 . . . . 67 PRO HB3 . 19624 1 449 . 1 1 67 67 PRO HG2 H 1 1.979 0.020 . 1 . . . . 67 PRO HG2 . 19624 1 450 . 1 1 67 67 PRO HG3 H 1 1.979 0.020 . 1 . . . . 67 PRO HG3 . 19624 1 451 . 1 1 67 67 PRO HD2 H 1 3.469 0.020 . 2 . . . . 67 PRO HD2 . 19624 1 452 . 1 1 67 67 PRO HD3 H 1 3.680 0.020 . 2 . . . . 67 PRO HD3 . 19624 1 453 . 1 1 68 68 ASN H H 1 8.410 0.020 . 1 . . . . 68 ASN H . 19624 1 454 . 1 1 68 68 ASN HA H 1 4.867 0.020 . 1 . . . . 68 ASN HA . 19624 1 455 . 1 1 68 68 ASN HB2 H 1 2.777 0.020 . 2 . . . . 68 ASN HB2 . 19624 1 456 . 1 1 68 68 ASN HB3 H 1 3.099 0.020 . 2 . . . . 68 ASN HB3 . 19624 1 457 . 1 1 68 68 ASN HD21 H 1 7.678 0.020 . 1 . . . . 68 ASN HD21 . 19624 1 458 . 1 1 68 68 ASN HD22 H 1 6.950 0.020 . 1 . . . . 68 ASN HD22 . 19624 1 459 . 1 1 68 68 ASN N N 15 113.540 0.3 . 1 . . . . 68 ASN N . 19624 1 460 . 1 1 68 68 ASN ND2 N 15 112.103 0.3 . 1 . . . . 68 ASN ND2 . 19624 1 461 . 1 1 69 69 TYR H H 1 7.873 0.020 . 1 . . . . 69 TYR H . 19624 1 462 . 1 1 69 69 TYR HB2 H 1 2.960 0.020 . 2 . . . . 69 TYR HB2 . 19624 1 463 . 1 1 69 69 TYR HB3 H 1 3.049 0.020 . 2 . . . . 69 TYR HB3 . 19624 1 464 . 1 1 69 69 TYR HD1 H 1 6.986 0.020 . 1 . . . . 69 TYR HD1 . 19624 1 465 . 1 1 69 69 TYR HD2 H 1 6.986 0.020 . 1 . . . . 69 TYR HD2 . 19624 1 466 . 1 1 69 69 TYR HE1 H 1 6.682 0.020 . 1 . . . . 69 TYR HE1 . 19624 1 467 . 1 1 69 69 TYR HE2 H 1 6.682 0.020 . 1 . . . . 69 TYR HE2 . 19624 1 468 . 1 1 69 69 TYR N N 15 120.847 0.3 . 1 . . . . 69 TYR N . 19624 1 469 . 1 1 70 70 GLN H H 1 9.204 0.020 . 1 . . . . 70 GLN H . 19624 1 470 . 1 1 70 70 GLN HA H 1 3.020 0.020 . 1 . . . . 70 GLN HA . 19624 1 471 . 1 1 70 70 GLN HB2 H 1 1.290 0.020 . 2 . . . . 70 GLN HB2 . 19624 1 472 . 1 1 70 70 GLN HB3 H 1 1.618 0.020 . 2 . . . . 70 GLN HB3 . 19624 1 473 . 1 1 70 70 GLN HG2 H 1 1.234 0.020 . 2 . . . . 70 GLN HG2 . 19624 1 474 . 1 1 70 70 GLN HG3 H 1 1.634 0.020 . 2 . . . . 70 GLN HG3 . 19624 1 475 . 1 1 70 70 GLN HE21 H 1 7.401 0.020 . 1 . . . . 70 GLN HE21 . 19624 1 476 . 1 1 70 70 GLN HE22 H 1 6.812 0.020 . 1 . . . . 70 GLN HE22 . 19624 1 477 . 1 1 70 70 GLN N N 15 127.463 0.3 . 1 . . . . 70 GLN N . 19624 1 478 . 1 1 70 70 GLN NE2 N 15 107.399 0.3 . 1 . . . . 70 GLN NE2 . 19624 1 479 . 1 1 71 71 PHE H H 1 8.173 0.020 . 1 . . . . 71 PHE H . 19624 1 480 . 1 1 71 71 PHE HA H 1 5.024 0.020 . 1 . . . . 71 PHE HA . 19624 1 481 . 1 1 71 71 PHE HB2 H 1 2.530 0.020 . 2 . . . . 71 PHE HB2 . 19624 1 482 . 1 1 71 71 PHE HB3 H 1 3.473 0.020 . 2 . . . . 71 PHE HB3 . 19624 1 483 . 1 1 71 71 PHE HD1 H 1 6.795 0.020 . 1 . . . . 71 PHE HD1 . 19624 1 484 . 1 1 71 71 PHE HD2 H 1 6.795 0.020 . 1 . . . . 71 PHE HD2 . 19624 1 485 . 1 1 71 71 PHE HE1 H 1 6.869 0.020 . 1 . . . . 71 PHE HE1 . 19624 1 486 . 1 1 71 71 PHE HE2 H 1 6.869 0.020 . 1 . . . . 71 PHE HE2 . 19624 1 487 . 1 1 71 71 PHE N N 15 121.004 0.3 . 1 . . . . 71 PHE N . 19624 1 488 . 1 1 72 72 THR H H 1 8.737 0.020 . 1 . . . . 72 THR H . 19624 1 489 . 1 1 72 72 THR HA H 1 4.156 0.020 . 1 . . . . 72 THR HA . 19624 1 490 . 1 1 72 72 THR HB H 1 4.185 0.020 . 1 . . . . 72 THR HB . 19624 1 491 . 1 1 72 72 THR HG1 H 1 6.157 0.020 . 1 . . . . 72 THR HG1 . 19624 1 492 . 1 1 72 72 THR HG21 H 1 1.423 0.020 . 1 . . . . 72 THR QG2 . 19624 1 493 . 1 1 72 72 THR HG22 H 1 1.423 0.020 . 1 . . . . 72 THR QG2 . 19624 1 494 . 1 1 72 72 THR HG23 H 1 1.423 0.020 . 1 . . . . 72 THR QG2 . 19624 1 495 . 1 1 72 72 THR N N 15 121.467 0.3 . 1 . . . . 72 THR N . 19624 1 496 . 1 1 73 73 ASN H H 1 9.770 0.020 . 1 . . . . 73 ASN H . 19624 1 497 . 1 1 73 73 ASN HA H 1 5.060 0.020 . 1 . . . . 73 ASN HA . 19624 1 498 . 1 1 73 73 ASN HB2 H 1 2.718 0.020 . 2 . . . . 73 ASN HB2 . 19624 1 499 . 1 1 73 73 ASN HB3 H 1 2.894 0.020 . 2 . . . . 73 ASN HB3 . 19624 1 500 . 1 1 73 73 ASN HD21 H 1 7.422 0.020 . 1 . . . . 73 ASN HD21 . 19624 1 501 . 1 1 73 73 ASN HD22 H 1 6.874 0.020 . 1 . . . . 73 ASN HD22 . 19624 1 502 . 1 1 73 73 ASN N N 15 117.594 0.3 . 1 . . . . 73 ASN N . 19624 1 503 . 1 1 73 73 ASN ND2 N 15 112.196 0.3 . 1 . . . . 73 ASN ND2 . 19624 1 504 . 1 1 74 74 LEU H H 1 7.413 0.020 . 1 . . . . 74 LEU H . 19624 1 505 . 1 1 74 74 LEU HA H 1 3.411 0.020 . 1 . . . . 74 LEU HA . 19624 1 506 . 1 1 74 74 LEU HB2 H 1 0.630 0.020 . 2 . . . . 74 LEU HB2 . 19624 1 507 . 1 1 74 74 LEU HB3 H 1 0.822 0.020 . 2 . . . . 74 LEU HB3 . 19624 1 508 . 1 1 74 74 LEU HG H 1 0.037 0.020 . 1 . . . . 74 LEU HG . 19624 1 509 . 1 1 74 74 LEU HD11 H 1 -0.505 0.020 . 2 . . . . 74 LEU QD1 . 19624 1 510 . 1 1 74 74 LEU HD12 H 1 -0.505 0.020 . 2 . . . . 74 LEU QD1 . 19624 1 511 . 1 1 74 74 LEU HD13 H 1 -0.505 0.020 . 2 . . . . 74 LEU QD1 . 19624 1 512 . 1 1 74 74 LEU HD21 H 1 -0.137 0.020 . 2 . . . . 74 LEU QD2 . 19624 1 513 . 1 1 74 74 LEU HD22 H 1 -0.137 0.020 . 2 . . . . 74 LEU QD2 . 19624 1 514 . 1 1 74 74 LEU HD23 H 1 -0.137 0.020 . 2 . . . . 74 LEU QD2 . 19624 1 515 . 1 1 74 74 LEU N N 15 121.565 0.3 . 1 . . . . 74 LEU N . 19624 1 516 . 1 1 75 75 LYS H H 1 7.893 0.020 . 1 . . . . 75 LYS H . 19624 1 517 . 1 1 75 75 LYS HA H 1 4.144 0.020 . 1 . . . . 75 LYS HA . 19624 1 518 . 1 1 75 75 LYS HB2 H 1 1.917 0.020 . 2 . . . . 75 LYS HB2 . 19624 1 519 . 1 1 75 75 LYS HB3 H 1 1.964 0.020 . 2 . . . . 75 LYS HB3 . 19624 1 520 . 1 1 75 75 LYS HG2 H 1 1.386 0.020 . 2 . . . . 75 LYS HG2 . 19624 1 521 . 1 1 75 75 LYS HG3 H 1 1.503 0.020 . 2 . . . . 75 LYS HG3 . 19624 1 522 . 1 1 75 75 LYS HD2 H 1 1.750 0.020 . 1 . . . . 75 LYS HD2 . 19624 1 523 . 1 1 75 75 LYS HD3 H 1 1.750 0.020 . 1 . . . . 75 LYS HD3 . 19624 1 524 . 1 1 75 75 LYS N N 15 113.615 0.3 . 1 . . . . 75 LYS N . 19624 1 525 . 1 1 76 76 ALA H H 1 7.783 0.020 . 1 . . . . 76 ALA H . 19624 1 526 . 1 1 76 76 ALA HA H 1 4.156 0.020 . 1 . . . . 76 ALA HA . 19624 1 527 . 1 1 76 76 ALA N N 15 122.276 0.3 . 1 . . . . 76 ALA N . 19624 1 528 . 1 1 77 77 ALA H H 1 7.920 0.020 . 1 . . . . 77 ALA H . 19624 1 529 . 1 1 77 77 ALA HA H 1 4.076 0.020 . 1 . . . . 77 ALA HA . 19624 1 530 . 1 1 77 77 ALA N N 15 119.873 0.3 . 1 . . . . 77 ALA N . 19624 1 531 . 1 1 78 78 LYS H H 1 8.423 0.020 . 1 . . . . 78 LYS H . 19624 1 532 . 1 1 78 78 LYS HA H 1 4.337 0.020 . 1 . . . . 78 LYS HA . 19624 1 533 . 1 1 78 78 LYS HB2 H 1 1.655 0.020 . 2 . . . . 78 LYS HB2 . 19624 1 534 . 1 1 78 78 LYS HB3 H 1 1.892 0.020 . 2 . . . . 78 LYS HB3 . 19624 1 535 . 1 1 78 78 LYS HG2 H 1 1.393 0.020 . 1 . . . . 78 LYS HG2 . 19624 1 536 . 1 1 78 78 LYS HG3 H 1 1.393 0.020 . 1 . . . . 78 LYS HG3 . 19624 1 537 . 1 1 78 78 LYS N N 15 121.898 0.3 . 1 . . . . 78 LYS N . 19624 1 538 . 1 1 79 79 LYS H H 1 8.539 0.020 . 1 . . . . 79 LYS H . 19624 1 539 . 1 1 79 79 LYS HA H 1 3.616 0.020 . 1 . . . . 79 LYS HA . 19624 1 540 . 1 1 79 79 LYS HB2 H 1 1.635 0.020 . 1 . . . . 79 LYS HB2 . 19624 1 541 . 1 1 79 79 LYS HB3 H 1 1.635 0.020 . 1 . . . . 79 LYS HB3 . 19624 1 542 . 1 1 79 79 LYS HG2 H 1 1.233 0.020 . 2 . . . . 79 LYS HG2 . 19624 1 543 . 1 1 79 79 LYS HG3 H 1 1.312 0.020 . 2 . . . . 79 LYS HG3 . 19624 1 544 . 1 1 79 79 LYS N N 15 121.445 0.3 . 1 . . . . 79 LYS N . 19624 1 545 . 1 1 80 80 GLY H H 1 9.185 0.020 . 1 . . . . 80 GLY H . 19624 1 546 . 1 1 80 80 GLY HA2 H 1 3.418 0.020 . 2 . . . . 80 GLY HA2 . 19624 1 547 . 1 1 80 80 GLY HA3 H 1 4.513 0.020 . 2 . . . . 80 GLY HA3 . 19624 1 548 . 1 1 80 80 GLY N N 15 116.495 0.3 . 1 . . . . 80 GLY N . 19624 1 549 . 1 1 81 81 SER H H 1 8.404 0.020 . 1 . . . . 81 SER H . 19624 1 550 . 1 1 81 81 SER HA H 1 4.239 0.020 . 1 . . . . 81 SER HA . 19624 1 551 . 1 1 81 81 SER HB2 H 1 3.806 0.020 . 2 . . . . 81 SER HB2 . 19624 1 552 . 1 1 81 81 SER HB3 H 1 4.047 0.020 . 2 . . . . 81 SER HB3 . 19624 1 553 . 1 1 81 81 SER N N 15 118.651 0.3 . 1 . . . . 81 SER N . 19624 1 554 . 1 1 82 82 MET H H 1 8.460 0.020 . 1 . . . . 82 MET H . 19624 1 555 . 1 1 82 82 MET HA H 1 5.018 0.020 . 1 . . . . 82 MET HA . 19624 1 556 . 1 1 82 82 MET HB2 H 1 1.564 0.020 . 2 . . . . 82 MET HB2 . 19624 1 557 . 1 1 82 82 MET HB3 H 1 1.962 0.020 . 2 . . . . 82 MET HB3 . 19624 1 558 . 1 1 82 82 MET HG2 H 1 2.581 0.020 . 2 . . . . 82 MET HG2 . 19624 1 559 . 1 1 82 82 MET HG3 H 1 2.723 0.020 . 2 . . . . 82 MET HG3 . 19624 1 560 . 1 1 82 82 MET N N 15 121.979 0.3 . 1 . . . . 82 MET N . 19624 1 561 . 1 1 83 83 VAL H H 1 8.854 0.020 . 1 . . . . 83 VAL H . 19624 1 562 . 1 1 83 83 VAL HA H 1 4.398 0.020 . 1 . . . . 83 VAL HA . 19624 1 563 . 1 1 83 83 VAL HG11 H 1 0.625 0.020 . 1 . . . . 83 VAL QG1 . 19624 1 564 . 1 1 83 83 VAL HG12 H 1 0.625 0.020 . 1 . . . . 83 VAL QG1 . 19624 1 565 . 1 1 83 83 VAL HG13 H 1 0.625 0.020 . 1 . . . . 83 VAL QG1 . 19624 1 566 . 1 1 83 83 VAL HG21 H 1 0.625 0.020 . 1 . . . . 83 VAL QG2 . 19624 1 567 . 1 1 83 83 VAL HG22 H 1 0.625 0.020 . 1 . . . . 83 VAL QG2 . 19624 1 568 . 1 1 83 83 VAL HG23 H 1 0.625 0.020 . 1 . . . . 83 VAL QG2 . 19624 1 569 . 1 1 83 83 VAL N N 15 121.662 0.3 . 1 . . . . 83 VAL N . 19624 1 570 . 1 1 84 84 TYR H H 1 9.324 0.020 . 1 . . . . 84 TYR H . 19624 1 571 . 1 1 84 84 TYR HA H 1 5.478 0.020 . 1 . . . . 84 TYR HA . 19624 1 572 . 1 1 84 84 TYR HB2 H 1 2.865 0.020 . 2 . . . . 84 TYR HB2 . 19624 1 573 . 1 1 84 84 TYR HB3 H 1 3.069 0.020 . 2 . . . . 84 TYR HB3 . 19624 1 574 . 1 1 84 84 TYR HD1 H 1 7.003 0.020 . 1 . . . . 84 TYR HD1 . 19624 1 575 . 1 1 84 84 TYR HD2 H 1 7.003 0.020 . 1 . . . . 84 TYR HD2 . 19624 1 576 . 1 1 84 84 TYR N N 15 124.532 0.3 . 1 . . . . 84 TYR N . 19624 1 577 . 1 1 85 85 PHE H H 1 9.517 0.020 . 1 . . . . 85 PHE H . 19624 1 578 . 1 1 85 85 PHE HA H 1 5.894 0.020 . 1 . . . . 85 PHE HA . 19624 1 579 . 1 1 85 85 PHE HB2 H 1 2.815 0.020 . 2 . . . . 85 PHE HB2 . 19624 1 580 . 1 1 85 85 PHE HB3 H 1 3.390 0.020 . 2 . . . . 85 PHE HB3 . 19624 1 581 . 1 1 85 85 PHE HD1 H 1 7.245 0.020 . 1 . . . . 85 PHE HD1 . 19624 1 582 . 1 1 85 85 PHE HD2 H 1 7.245 0.020 . 1 . . . . 85 PHE HD2 . 19624 1 583 . 1 1 85 85 PHE HE1 H 1 6.926 0.020 . 1 . . . . 85 PHE HE1 . 19624 1 584 . 1 1 85 85 PHE HE2 H 1 6.926 0.020 . 1 . . . . 85 PHE HE2 . 19624 1 585 . 1 1 85 85 PHE N N 15 125.800 0.3 . 1 . . . . 85 PHE N . 19624 1 586 . 1 1 86 86 LYS H H 1 9.264 0.020 . 1 . . . . 86 LYS H . 19624 1 587 . 1 1 86 86 LYS HA H 1 5.167 0.020 . 1 . . . . 86 LYS HA . 19624 1 588 . 1 1 86 86 LYS HB2 H 1 1.698 0.020 . 2 . . . . 86 LYS HB2 . 19624 1 589 . 1 1 86 86 LYS HB3 H 1 1.858 0.020 . 2 . . . . 86 LYS HB3 . 19624 1 590 . 1 1 86 86 LYS HG2 H 1 1.275 0.020 . 1 . . . . 86 LYS HG2 . 19624 1 591 . 1 1 86 86 LYS N N 15 130.564 0.3 . 1 . . . . 86 LYS N . 19624 1 592 . 1 1 87 87 VAL H H 1 8.096 0.020 . 1 . . . . 87 VAL H . 19624 1 593 . 1 1 87 87 VAL HA H 1 4.315 0.020 . 1 . . . . 87 VAL HA . 19624 1 594 . 1 1 87 87 VAL HB H 1 1.625 0.020 . 1 . . . . 87 VAL HB . 19624 1 595 . 1 1 87 87 VAL HG11 H 1 0.599 0.020 . 1 . . . . 87 VAL QG1 . 19624 1 596 . 1 1 87 87 VAL HG12 H 1 0.599 0.020 . 1 . . . . 87 VAL QG1 . 19624 1 597 . 1 1 87 87 VAL HG13 H 1 0.599 0.020 . 1 . . . . 87 VAL QG1 . 19624 1 598 . 1 1 87 87 VAL HG21 H 1 0.599 0.020 . 1 . . . . 87 VAL QG2 . 19624 1 599 . 1 1 87 87 VAL HG22 H 1 0.599 0.020 . 1 . . . . 87 VAL QG2 . 19624 1 600 . 1 1 87 87 VAL HG23 H 1 0.599 0.020 . 1 . . . . 87 VAL QG2 . 19624 1 601 . 1 1 87 87 VAL N N 15 122.479 0.3 . 1 . . . . 87 VAL N . 19624 1 602 . 1 1 88 88 GLY H H 1 8.914 0.020 . 1 . . . . 88 GLY H . 19624 1 603 . 1 1 88 88 GLY HA2 H 1 3.670 0.020 . 2 . . . . 88 GLY HA2 . 19624 1 604 . 1 1 88 88 GLY HA3 H 1 3.875 0.020 . 2 . . . . 88 GLY HA3 . 19624 1 605 . 1 1 88 88 GLY N N 15 116.549 0.3 . 1 . . . . 88 GLY N . 19624 1 606 . 1 1 89 89 ASN H H 1 8.969 0.020 . 1 . . . . 89 ASN H . 19624 1 607 . 1 1 89 89 ASN HA H 1 4.762 0.020 . 1 . . . . 89 ASN HA . 19624 1 608 . 1 1 89 89 ASN HB2 H 1 2.781 0.020 . 2 . . . . 89 ASN HB2 . 19624 1 609 . 1 1 89 89 ASN HB3 H 1 2.915 0.020 . 2 . . . . 89 ASN HB3 . 19624 1 610 . 1 1 89 89 ASN HD21 H 1 7.532 0.020 . 1 . . . . 89 ASN HD21 . 19624 1 611 . 1 1 89 89 ASN HD22 H 1 6.875 0.020 . 1 . . . . 89 ASN HD22 . 19624 1 612 . 1 1 89 89 ASN N N 15 124.394 0.3 . 1 . . . . 89 ASN N . 19624 1 613 . 1 1 89 89 ASN ND2 N 15 112.522 0.3 . 1 . . . . 89 ASN ND2 . 19624 1 614 . 1 1 90 90 GLU H H 1 8.276 0.020 . 1 . . . . 90 GLU H . 19624 1 615 . 1 1 90 90 GLU HA H 1 4.636 0.020 . 1 . . . . 90 GLU HA . 19624 1 616 . 1 1 90 90 GLU HB2 H 1 2.076 0.020 . 1 . . . . 90 GLU HB2 . 19624 1 617 . 1 1 90 90 GLU HB3 H 1 2.076 0.020 . 1 . . . . 90 GLU HB3 . 19624 1 618 . 1 1 90 90 GLU HG2 H 1 2.163 0.020 . 2 . . . . 90 GLU HG2 . 19624 1 619 . 1 1 90 90 GLU HG3 H 1 2.235 0.020 . 2 . . . . 90 GLU HG3 . 19624 1 620 . 1 1 90 90 GLU N N 15 121.323 0.3 . 1 . . . . 90 GLU N . 19624 1 621 . 1 1 91 91 THR H H 1 8.670 0.020 . 1 . . . . 91 THR H . 19624 1 622 . 1 1 91 91 THR HA H 1 4.730 0.020 . 1 . . . . 91 THR HA . 19624 1 623 . 1 1 91 91 THR HB H 1 4.021 0.020 . 1 . . . . 91 THR HB . 19624 1 624 . 1 1 91 91 THR HG21 H 1 1.148 0.020 . 1 . . . . 91 THR QG2 . 19624 1 625 . 1 1 91 91 THR HG22 H 1 1.148 0.020 . 1 . . . . 91 THR QG2 . 19624 1 626 . 1 1 91 91 THR HG23 H 1 1.148 0.020 . 1 . . . . 91 THR QG2 . 19624 1 627 . 1 1 91 91 THR N N 15 120.366 0.3 . 1 . . . . 91 THR N . 19624 1 628 . 1 1 92 92 ARG H H 1 9.379 0.020 . 1 . . . . 92 ARG H . 19624 1 629 . 1 1 92 92 ARG HA H 1 4.575 0.020 . 1 . . . . 92 ARG HA . 19624 1 630 . 1 1 92 92 ARG HB2 H 1 1.842 0.020 . 2 . . . . 92 ARG HB2 . 19624 1 631 . 1 1 92 92 ARG HB3 H 1 2.189 0.020 . 2 . . . . 92 ARG HB3 . 19624 1 632 . 1 1 92 92 ARG HG2 H 1 1.630 0.020 . 2 . . . . 92 ARG HG2 . 19624 1 633 . 1 1 92 92 ARG HG3 H 1 1.745 0.020 . 2 . . . . 92 ARG HG3 . 19624 1 634 . 1 1 92 92 ARG HD2 H 1 3.139 0.020 . 2 . . . . 92 ARG HD2 . 19624 1 635 . 1 1 92 92 ARG HD3 H 1 3.301 0.020 . 2 . . . . 92 ARG HD3 . 19624 1 636 . 1 1 92 92 ARG HE H 1 7.542 0.020 . 1 . . . . 92 ARG HE . 19624 1 637 . 1 1 92 92 ARG N N 15 128.466 0.3 . 1 . . . . 92 ARG N . 19624 1 638 . 1 1 92 92 ARG NE N 15 86.144 0.3 . 1 . . . . 92 ARG NE . 19624 1 639 . 1 1 93 93 LYS H H 1 8.482 0.020 . 1 . . . . 93 LYS H . 19624 1 640 . 1 1 93 93 LYS HA H 1 5.135 0.020 . 1 . . . . 93 LYS HA . 19624 1 641 . 1 1 93 93 LYS HB2 H 1 1.549 0.020 . 2 . . . . 93 LYS HB2 . 19624 1 642 . 1 1 93 93 LYS HB3 H 1 1.645 0.020 . 2 . . . . 93 LYS HB3 . 19624 1 643 . 1 1 93 93 LYS HG2 H 1 1.302 0.020 . 2 . . . . 93 LYS HG2 . 19624 1 644 . 1 1 93 93 LYS HG3 H 1 1.374 0.020 . 2 . . . . 93 LYS HG3 . 19624 1 645 . 1 1 93 93 LYS HE2 H 1 2.950 0.020 . 1 . . . . 93 LYS HE2 . 19624 1 646 . 1 1 93 93 LYS HE3 H 1 2.950 0.020 . 1 . . . . 93 LYS HE3 . 19624 1 647 . 1 1 93 93 LYS N N 15 122.146 0.3 . 1 . . . . 93 LYS N . 19624 1 648 . 1 1 94 94 TYR H H 1 9.191 0.020 . 1 . . . . 94 TYR H . 19624 1 649 . 1 1 94 94 TYR HA H 1 5.075 0.020 . 1 . . . . 94 TYR HA . 19624 1 650 . 1 1 94 94 TYR HB2 H 1 2.340 0.020 . 2 . . . . 94 TYR HB2 . 19624 1 651 . 1 1 94 94 TYR HB3 H 1 2.451 0.020 . 2 . . . . 94 TYR HB3 . 19624 1 652 . 1 1 94 94 TYR HD1 H 1 6.720 0.020 . 1 . . . . 94 TYR HD1 . 19624 1 653 . 1 1 94 94 TYR HD2 H 1 6.720 0.020 . 1 . . . . 94 TYR HD2 . 19624 1 654 . 1 1 94 94 TYR HE1 H 1 6.506 0.020 . 1 . . . . 94 TYR HE1 . 19624 1 655 . 1 1 94 94 TYR HE2 H 1 6.506 0.020 . 1 . . . . 94 TYR HE2 . 19624 1 656 . 1 1 94 94 TYR N N 15 120.383 0.3 . 1 . . . . 94 TYR N . 19624 1 657 . 1 1 95 95 LYS H H 1 9.238 0.020 . 1 . . . . 95 LYS H . 19624 1 658 . 1 1 95 95 LYS HA H 1 5.066 0.020 . 1 . . . . 95 LYS HA . 19624 1 659 . 1 1 95 95 LYS HB2 H 1 1.451 0.020 . 2 . . . . 95 LYS HB2 . 19624 1 660 . 1 1 95 95 LYS HB3 H 1 1.648 0.020 . 2 . . . . 95 LYS HB3 . 19624 1 661 . 1 1 95 95 LYS HG2 H 1 1.145 0.020 . 2 . . . . 95 LYS HG2 . 19624 1 662 . 1 1 95 95 LYS HG3 H 1 1.311 0.020 . 2 . . . . 95 LYS HG3 . 19624 1 663 . 1 1 95 95 LYS N N 15 120.013 0.3 . 1 . . . . 95 LYS N . 19624 1 664 . 1 1 96 96 MET H H 1 9.286 0.020 . 1 . . . . 96 MET H . 19624 1 665 . 1 1 96 96 MET HA H 1 4.433 0.020 . 1 . . . . 96 MET HA . 19624 1 666 . 1 1 96 96 MET HB2 H 1 2.009 0.020 . 2 . . . . 96 MET HB2 . 19624 1 667 . 1 1 96 96 MET HB3 H 1 2.370 0.020 . 2 . . . . 96 MET HB3 . 19624 1 668 . 1 1 96 96 MET HG2 H 1 2.539 0.020 . 1 . . . . 96 MET HG2 . 19624 1 669 . 1 1 96 96 MET HG3 H 1 2.539 0.020 . 1 . . . . 96 MET HG3 . 19624 1 670 . 1 1 96 96 MET N N 15 126.199 0.3 . 1 . . . . 96 MET N . 19624 1 671 . 1 1 97 97 THR HG21 H 1 1.416 0.020 . 1 . . . . 97 THR QG2 . 19624 1 672 . 1 1 97 97 THR HG22 H 1 1.416 0.020 . 1 . . . . 97 THR QG2 . 19624 1 673 . 1 1 97 97 THR HG23 H 1 1.416 0.020 . 1 . . . . 97 THR QG2 . 19624 1 674 . 1 1 98 98 SER H H 1 8.285 0.020 . 1 . . . . 98 SER H . 19624 1 675 . 1 1 98 98 SER N N 15 109.439 0.3 . 1 . . . . 98 SER N . 19624 1 676 . 1 1 99 99 ILE H H 1 8.504 0.020 . 1 . . . . 99 ILE H . 19624 1 677 . 1 1 99 99 ILE N N 15 125.843 0.3 . 1 . . . . 99 ILE N . 19624 1 678 . 1 1 100 100 ARG HG2 H 1 1.512 0.020 . 2 . . . . 100 ARG HG2 . 19624 1 679 . 1 1 100 100 ARG HG3 H 1 1.635 0.020 . 2 . . . . 100 ARG HG3 . 19624 1 680 . 1 1 100 100 ARG HD2 H 1 3.167 0.020 . 2 . . . . 100 ARG HD2 . 19624 1 681 . 1 1 100 100 ARG HD3 H 1 3.226 0.020 . 2 . . . . 100 ARG HD3 . 19624 1 682 . 1 1 100 100 ARG HE H 1 7.337 0.020 . 1 . . . . 100 ARG HE . 19624 1 683 . 1 1 100 100 ARG NE N 15 82.841 0.3 . 1 . . . . 100 ARG NE . 19624 1 684 . 1 1 102 102 VAL H H 1 7.581 0.020 . 1 . . . . 102 VAL H . 19624 1 685 . 1 1 102 102 VAL HA H 1 4.520 0.020 . 1 . . . . 102 VAL HA . 19624 1 686 . 1 1 102 102 VAL HB H 1 2.068 0.020 . 1 . . . . 102 VAL HB . 19624 1 687 . 1 1 102 102 VAL HG11 H 1 0.653 0.020 . 2 . . . . 102 VAL QG1 . 19624 1 688 . 1 1 102 102 VAL HG12 H 1 0.653 0.020 . 2 . . . . 102 VAL QG1 . 19624 1 689 . 1 1 102 102 VAL HG13 H 1 0.653 0.020 . 2 . . . . 102 VAL QG1 . 19624 1 690 . 1 1 102 102 VAL HG21 H 1 0.819 0.020 . 2 . . . . 102 VAL QG2 . 19624 1 691 . 1 1 102 102 VAL HG22 H 1 0.819 0.020 . 2 . . . . 102 VAL QG2 . 19624 1 692 . 1 1 102 102 VAL HG23 H 1 0.819 0.020 . 2 . . . . 102 VAL QG2 . 19624 1 693 . 1 1 102 102 VAL N N 15 113.004 0.3 . 1 . . . . 102 VAL N . 19624 1 694 . 1 1 103 103 LYS H H 1 8.813 0.020 . 1 . . . . 103 LYS H . 19624 1 695 . 1 1 103 103 LYS HA H 1 4.719 0.020 . 1 . . . . 103 LYS HA . 19624 1 696 . 1 1 103 103 LYS HB2 H 1 1.717 0.020 . 2 . . . . 103 LYS HB2 . 19624 1 697 . 1 1 103 103 LYS HB3 H 1 1.878 0.020 . 2 . . . . 103 LYS HB3 . 19624 1 698 . 1 1 103 103 LYS HG2 H 1 1.536 0.020 . 2 . . . . 103 LYS HG2 . 19624 1 699 . 1 1 103 103 LYS HG3 H 1 1.616 0.020 . 2 . . . . 103 LYS HG3 . 19624 1 700 . 1 1 103 103 LYS N N 15 124.189 0.3 . 1 . . . . 103 LYS N . 19624 1 701 . 1 1 104 104 PRO HB2 H 1 1.738 0.020 . 1 . . . . 104 PRO HB2 . 19624 1 702 . 1 1 105 105 THR H H 1 7.203 0.020 . 1 . . . . 105 THR H . 19624 1 703 . 1 1 105 105 THR HA H 1 4.204 0.020 . 1 . . . . 105 THR HA . 19624 1 704 . 1 1 105 105 THR HB H 1 4.427 0.020 . 1 . . . . 105 THR HB . 19624 1 705 . 1 1 105 105 THR HG21 H 1 1.224 0.020 . 1 . . . . 105 THR QG2 . 19624 1 706 . 1 1 105 105 THR HG22 H 1 1.224 0.020 . 1 . . . . 105 THR QG2 . 19624 1 707 . 1 1 105 105 THR HG23 H 1 1.224 0.020 . 1 . . . . 105 THR QG2 . 19624 1 708 . 1 1 105 105 THR N N 15 105.061 0.3 . 1 . . . . 105 THR N . 19624 1 709 . 1 1 106 106 ASP H H 1 7.906 0.020 . 1 . . . . 106 ASP H . 19624 1 710 . 1 1 106 106 ASP HA H 1 4.703 0.020 . 1 . . . . 106 ASP HA . 19624 1 711 . 1 1 106 106 ASP HB2 H 1 2.724 0.020 . 2 . . . . 106 ASP HB2 . 19624 1 712 . 1 1 106 106 ASP HB3 H 1 2.773 0.020 . 2 . . . . 106 ASP HB3 . 19624 1 713 . 1 1 106 106 ASP N N 15 122.177 0.3 . 1 . . . . 106 ASP N . 19624 1 714 . 1 1 107 107 VAL H H 1 7.466 0.020 . 1 . . . . 107 VAL H . 19624 1 715 . 1 1 107 107 VAL HA H 1 3.938 0.020 . 1 . . . . 107 VAL HA . 19624 1 716 . 1 1 107 107 VAL HB H 1 2.066 0.020 . 1 . . . . 107 VAL HB . 19624 1 717 . 1 1 107 107 VAL HG11 H 1 0.882 0.020 . 1 . . . . 107 VAL QG1 . 19624 1 718 . 1 1 107 107 VAL HG12 H 1 0.882 0.020 . 1 . . . . 107 VAL QG1 . 19624 1 719 . 1 1 107 107 VAL HG13 H 1 0.882 0.020 . 1 . . . . 107 VAL QG1 . 19624 1 720 . 1 1 107 107 VAL HG21 H 1 0.882 0.020 . 1 . . . . 107 VAL QG2 . 19624 1 721 . 1 1 107 107 VAL HG22 H 1 0.882 0.020 . 1 . . . . 107 VAL QG2 . 19624 1 722 . 1 1 107 107 VAL HG23 H 1 0.882 0.020 . 1 . . . . 107 VAL QG2 . 19624 1 723 . 1 1 107 107 VAL N N 15 118.430 0.3 . 1 . . . . 107 VAL N . 19624 1 724 . 1 1 108 108 GLU H H 1 8.366 0.020 . 1 . . . . 108 GLU H . 19624 1 725 . 1 1 108 108 GLU HA H 1 4.233 0.020 . 1 . . . . 108 GLU HA . 19624 1 726 . 1 1 108 108 GLU HB2 H 1 1.932 0.020 . 2 . . . . 108 GLU HB2 . 19624 1 727 . 1 1 108 108 GLU HB3 H 1 1.979 0.020 . 2 . . . . 108 GLU HB3 . 19624 1 728 . 1 1 108 108 GLU HG2 H 1 2.200 0.020 . 2 . . . . 108 GLU HG2 . 19624 1 729 . 1 1 108 108 GLU HG3 H 1 2.241 0.020 . 2 . . . . 108 GLU HG3 . 19624 1 730 . 1 1 108 108 GLU N N 15 123.651 0.3 . 1 . . . . 108 GLU N . 19624 1 731 . 1 1 109 109 VAL H H 1 7.910 0.020 . 1 . . . . 109 VAL H . 19624 1 732 . 1 1 109 109 VAL HA H 1 4.002 0.020 . 1 . . . . 109 VAL HA . 19624 1 733 . 1 1 109 109 VAL HB H 1 2.072 0.020 . 1 . . . . 109 VAL HB . 19624 1 734 . 1 1 109 109 VAL HG11 H 1 0.887 0.020 . 2 . . . . 109 VAL QG1 . 19624 1 735 . 1 1 109 109 VAL HG12 H 1 0.887 0.020 . 2 . . . . 109 VAL QG1 . 19624 1 736 . 1 1 109 109 VAL HG13 H 1 0.887 0.020 . 2 . . . . 109 VAL QG1 . 19624 1 737 . 1 1 109 109 VAL HG21 H 1 0.906 0.020 . 2 . . . . 109 VAL QG2 . 19624 1 738 . 1 1 109 109 VAL HG22 H 1 0.906 0.020 . 2 . . . . 109 VAL QG2 . 19624 1 739 . 1 1 109 109 VAL HG23 H 1 0.906 0.020 . 2 . . . . 109 VAL QG2 . 19624 1 740 . 1 1 109 109 VAL N N 15 119.874 0.3 . 1 . . . . 109 VAL N . 19624 1 741 . 1 1 110 110 LEU H H 1 8.047 0.020 . 1 . . . . 110 LEU H . 19624 1 742 . 1 1 110 110 LEU HA H 1 4.292 0.020 . 1 . . . . 110 LEU HA . 19624 1 743 . 1 1 110 110 LEU HB2 H 1 1.548 0.020 . 2 . . . . 110 LEU HB2 . 19624 1 744 . 1 1 110 110 LEU HB3 H 1 1.632 0.020 . 2 . . . . 110 LEU HB3 . 19624 1 745 . 1 1 110 110 LEU HD11 H 1 0.809 0.020 . 1 . . . . 110 LEU QD1 . 19624 1 746 . 1 1 110 110 LEU HD12 H 1 0.809 0.020 . 1 . . . . 110 LEU QD1 . 19624 1 747 . 1 1 110 110 LEU HD13 H 1 0.809 0.020 . 1 . . . . 110 LEU QD1 . 19624 1 748 . 1 1 110 110 LEU N N 15 124.528 0.3 . 1 . . . . 110 LEU N . 19624 1 749 . 1 1 111 111 ASP H H 1 8.184 0.020 . 1 . . . . 111 ASP H . 19624 1 750 . 1 1 111 111 ASP HA H 1 4.525 0.020 . 1 . . . . 111 ASP HA . 19624 1 751 . 1 1 111 111 ASP HB2 H 1 2.617 0.020 . 2 . . . . 111 ASP HB2 . 19624 1 752 . 1 1 111 111 ASP HB3 H 1 2.688 0.020 . 2 . . . . 111 ASP HB3 . 19624 1 753 . 1 1 111 111 ASP N N 15 120.950 0.3 . 1 . . . . 111 ASP N . 19624 1 754 . 1 1 112 112 GLU H H 1 8.304 0.020 . 1 . . . . 112 GLU H . 19624 1 755 . 1 1 112 112 GLU HA H 1 4.219 0.020 . 1 . . . . 112 GLU HA . 19624 1 756 . 1 1 112 112 GLU HB2 H 1 1.977 0.020 . 2 . . . . 112 GLU HB2 . 19624 1 757 . 1 1 112 112 GLU HB3 H 1 2.059 0.020 . 2 . . . . 112 GLU HB3 . 19624 1 758 . 1 1 112 112 GLU HG2 H 1 2.233 0.020 . 2 . . . . 112 GLU HG2 . 19624 1 759 . 1 1 112 112 GLU HG3 H 1 2.296 0.020 . 2 . . . . 112 GLU HG3 . 19624 1 760 . 1 1 112 112 GLU N N 15 120.731 0.3 . 1 . . . . 112 GLU N . 19624 1 761 . 1 1 113 113 GLN H H 1 8.245 0.020 . 1 . . . . 113 GLN H . 19624 1 762 . 1 1 113 113 GLN HA H 1 4.290 0.020 . 1 . . . . 113 GLN HA . 19624 1 763 . 1 1 113 113 GLN HB2 H 1 2.007 0.020 . 2 . . . . 113 GLN HB2 . 19624 1 764 . 1 1 113 113 GLN HB3 H 1 2.128 0.020 . 2 . . . . 113 GLN HB3 . 19624 1 765 . 1 1 113 113 GLN HG2 H 1 2.342 0.020 . 1 . . . . 113 GLN HG2 . 19624 1 766 . 1 1 113 113 GLN HG3 H 1 2.342 0.020 . 1 . . . . 113 GLN HG3 . 19624 1 767 . 1 1 113 113 GLN HE21 H 1 7.546 0.020 . 1 . . . . 113 GLN HE21 . 19624 1 768 . 1 1 113 113 GLN HE22 H 1 6.772 0.020 . 1 . . . . 113 GLN HE22 . 19624 1 769 . 1 1 113 113 GLN N N 15 119.880 0.3 . 1 . . . . 113 GLN N . 19624 1 770 . 1 1 113 113 GLN NE2 N 15 112.289 0.3 . 1 . . . . 113 GLN NE2 . 19624 1 771 . 1 1 114 114 LYS H H 1 8.084 0.020 . 1 . . . . 114 LYS H . 19624 1 772 . 1 1 114 114 LYS HA H 1 4.255 0.020 . 1 . . . . 114 LYS HA . 19624 1 773 . 1 1 114 114 LYS HB2 H 1 1.789 0.020 . 2 . . . . 114 LYS HB2 . 19624 1 774 . 1 1 114 114 LYS HB3 H 1 1.844 0.020 . 2 . . . . 114 LYS HB3 . 19624 1 775 . 1 1 114 114 LYS HG2 H 1 1.458 0.020 . 2 . . . . 114 LYS HG2 . 19624 1 776 . 1 1 114 114 LYS HG3 H 1 1.654 0.020 . 2 . . . . 114 LYS HG3 . 19624 1 777 . 1 1 114 114 LYS N N 15 121.541 0.3 . 1 . . . . 114 LYS N . 19624 1 778 . 1 1 115 115 GLY H H 1 8.375 0.020 . 1 . . . . 115 GLY H . 19624 1 779 . 1 1 115 115 GLY HA2 H 1 3.976 0.020 . 1 . . . . 115 GLY HA2 . 19624 1 780 . 1 1 115 115 GLY HA3 H 1 3.976 0.020 . 1 . . . . 115 GLY HA3 . 19624 1 781 . 1 1 115 115 GLY N N 15 109.839 0.3 . 1 . . . . 115 GLY N . 19624 1 782 . 1 1 116 116 LYS H H 1 8.135 0.020 . 1 . . . . 116 LYS H . 19624 1 783 . 1 1 116 116 LYS HA H 1 4.349 0.020 . 1 . . . . 116 LYS HA . 19624 1 784 . 1 1 116 116 LYS HB2 H 1 1.742 0.020 . 2 . . . . 116 LYS HB2 . 19624 1 785 . 1 1 116 116 LYS HB3 H 1 1.907 0.020 . 2 . . . . 116 LYS HB3 . 19624 1 786 . 1 1 116 116 LYS HG2 H 1 1.376 0.020 . 2 . . . . 116 LYS HG2 . 19624 1 787 . 1 1 116 116 LYS HG3 H 1 1.445 0.020 . 2 . . . . 116 LYS HG3 . 19624 1 788 . 1 1 116 116 LYS HD2 H 1 1.720 0.020 . 1 . . . . 116 LYS HD2 . 19624 1 789 . 1 1 116 116 LYS HD3 H 1 1.720 0.020 . 1 . . . . 116 LYS HD3 . 19624 1 790 . 1 1 116 116 LYS N N 15 119.771 0.3 . 1 . . . . 116 LYS N . 19624 1 791 . 1 1 117 117 ASP H H 1 8.023 0.020 . 1 . . . . 117 ASP H . 19624 1 792 . 1 1 117 117 ASP HA H 1 4.398 0.020 . 1 . . . . 117 ASP HA . 19624 1 793 . 1 1 117 117 ASP HB2 H 1 2.551 0.020 . 2 . . . . 117 ASP HB2 . 19624 1 794 . 1 1 117 117 ASP HB3 H 1 2.871 0.020 . 2 . . . . 117 ASP HB3 . 19624 1 795 . 1 1 117 117 ASP N N 15 120.277 0.3 . 1 . . . . 117 ASP N . 19624 1 796 . 1 1 118 118 LYS H H 1 8.829 0.020 . 1 . . . . 118 LYS H . 19624 1 797 . 1 1 118 118 LYS HA H 1 4.717 0.020 . 1 . . . . 118 LYS HA . 19624 1 798 . 1 1 118 118 LYS HB2 H 1 1.743 0.020 . 2 . . . . 118 LYS HB2 . 19624 1 799 . 1 1 118 118 LYS HB3 H 1 1.833 0.020 . 2 . . . . 118 LYS HB3 . 19624 1 800 . 1 1 118 118 LYS HD2 H 1 2.305 0.020 . 1 . . . . 118 LYS HD2 . 19624 1 801 . 1 1 118 118 LYS HD3 H 1 2.305 0.020 . 1 . . . . 118 LYS HD3 . 19624 1 802 . 1 1 118 118 LYS N N 15 121.803 0.3 . 1 . . . . 118 LYS N . 19624 1 803 . 1 1 119 119 GLN H H 1 8.920 0.020 . 1 . . . . 119 GLN H . 19624 1 804 . 1 1 119 119 GLN HA H 1 5.397 0.020 . 1 . . . . 119 GLN HA . 19624 1 805 . 1 1 119 119 GLN HB2 H 1 2.011 0.020 . 1 . . . . 119 GLN HB2 . 19624 1 806 . 1 1 119 119 GLN HB3 H 1 2.011 0.020 . 1 . . . . 119 GLN HB3 . 19624 1 807 . 1 1 119 119 GLN HG3 H 1 2.391 0.020 . 1 . . . . 119 GLN HG3 . 19624 1 808 . 1 1 119 119 GLN HE21 H 1 7.366 0.020 . 1 . . . . 119 GLN HE21 . 19624 1 809 . 1 1 119 119 GLN HE22 H 1 6.579 0.020 . 1 . . . . 119 GLN HE22 . 19624 1 810 . 1 1 119 119 GLN N N 15 117.515 0.3 . 1 . . . . 119 GLN N . 19624 1 811 . 1 1 119 119 GLN NE2 N 15 110.957 0.3 . 1 . . . . 119 GLN NE2 . 19624 1 812 . 1 1 120 120 LEU H H 1 8.915 0.020 . 1 . . . . 120 LEU H . 19624 1 813 . 1 1 120 120 LEU HA H 1 4.941 0.020 . 1 . . . . 120 LEU HA . 19624 1 814 . 1 1 120 120 LEU HB2 H 1 0.745 0.020 . 1 . . . . 120 LEU HB2 . 19624 1 815 . 1 1 120 120 LEU HB3 H 1 0.745 0.020 . 1 . . . . 120 LEU HB3 . 19624 1 816 . 1 1 120 120 LEU HD11 H 1 0.090 0.020 . 2 . . . . 120 LEU QD1 . 19624 1 817 . 1 1 120 120 LEU HD12 H 1 0.090 0.020 . 2 . . . . 120 LEU QD1 . 19624 1 818 . 1 1 120 120 LEU HD13 H 1 0.090 0.020 . 2 . . . . 120 LEU QD1 . 19624 1 819 . 1 1 120 120 LEU HD21 H 1 0.225 0.020 . 2 . . . . 120 LEU QD2 . 19624 1 820 . 1 1 120 120 LEU HD22 H 1 0.225 0.020 . 2 . . . . 120 LEU QD2 . 19624 1 821 . 1 1 120 120 LEU HD23 H 1 0.225 0.020 . 2 . . . . 120 LEU QD2 . 19624 1 822 . 1 1 120 120 LEU N N 15 124.899 0.3 . 1 . . . . 120 LEU N . 19624 1 823 . 1 1 121 121 THR H H 1 9.310 0.020 . 1 . . . . 121 THR H . 19624 1 824 . 1 1 121 121 THR HA H 1 4.754 0.020 . 1 . . . . 121 THR HA . 19624 1 825 . 1 1 121 121 THR HB H 1 4.003 0.020 . 1 . . . . 121 THR HB . 19624 1 826 . 1 1 121 121 THR HG21 H 1 1.052 0.020 . 1 . . . . 121 THR QG2 . 19624 1 827 . 1 1 121 121 THR HG22 H 1 1.052 0.020 . 1 . . . . 121 THR QG2 . 19624 1 828 . 1 1 121 121 THR HG23 H 1 1.052 0.020 . 1 . . . . 121 THR QG2 . 19624 1 829 . 1 1 121 121 THR N N 15 123.105 0.3 . 1 . . . . 121 THR N . 19624 1 830 . 1 1 122 122 LEU H H 1 9.406 0.020 . 1 . . . . 122 LEU H . 19624 1 831 . 1 1 122 122 LEU HA H 1 5.153 0.020 . 1 . . . . 122 LEU HA . 19624 1 832 . 1 1 122 122 LEU HB3 H 1 1.558 0.020 . 1 . . . . 122 LEU HB3 . 19624 1 833 . 1 1 122 122 LEU HD11 H 1 0.336 0.020 . 2 . . . . 122 LEU QD1 . 19624 1 834 . 1 1 122 122 LEU HD12 H 1 0.336 0.020 . 2 . . . . 122 LEU QD1 . 19624 1 835 . 1 1 122 122 LEU HD13 H 1 0.336 0.020 . 2 . . . . 122 LEU QD1 . 19624 1 836 . 1 1 122 122 LEU HD21 H 1 0.405 0.020 . 2 . . . . 122 LEU QD2 . 19624 1 837 . 1 1 122 122 LEU HD22 H 1 0.405 0.020 . 2 . . . . 122 LEU QD2 . 19624 1 838 . 1 1 122 122 LEU HD23 H 1 0.405 0.020 . 2 . . . . 122 LEU QD2 . 19624 1 839 . 1 1 122 122 LEU N N 15 128.011 0.3 . 1 . . . . 122 LEU N . 19624 1 840 . 1 1 123 123 ILE H H 1 9.183 0.020 . 1 . . . . 123 ILE H . 19624 1 841 . 1 1 123 123 ILE HA H 1 5.236 0.020 . 1 . . . . 123 ILE HA . 19624 1 842 . 1 1 123 123 ILE HB H 1 1.528 0.020 . 1 . . . . 123 ILE HB . 19624 1 843 . 1 1 123 123 ILE HG21 H 1 0.812 0.020 . 1 . . . . 123 ILE QG2 . 19624 1 844 . 1 1 123 123 ILE HG22 H 1 0.812 0.020 . 1 . . . . 123 ILE QG2 . 19624 1 845 . 1 1 123 123 ILE HG23 H 1 0.812 0.020 . 1 . . . . 123 ILE QG2 . 19624 1 846 . 1 1 123 123 ILE HD11 H 1 0.747 0.020 . 1 . . . . 123 ILE QD1 . 19624 1 847 . 1 1 123 123 ILE HD12 H 1 0.747 0.020 . 1 . . . . 123 ILE QD1 . 19624 1 848 . 1 1 123 123 ILE HD13 H 1 0.747 0.020 . 1 . . . . 123 ILE QD1 . 19624 1 849 . 1 1 123 123 ILE N N 15 123.299 0.3 . 1 . . . . 123 ILE N . 19624 1 850 . 1 1 124 124 THR H H 1 9.482 0.020 . 1 . . . . 124 THR H . 19624 1 851 . 1 1 124 124 THR HA H 1 5.221 0.020 . 1 . . . . 124 THR HA . 19624 1 852 . 1 1 124 124 THR HB H 1 4.163 0.020 . 1 . . . . 124 THR HB . 19624 1 853 . 1 1 124 124 THR HG21 H 1 1.169 0.020 . 1 . . . . 124 THR QG2 . 19624 1 854 . 1 1 124 124 THR HG22 H 1 1.169 0.020 . 1 . . . . 124 THR QG2 . 19624 1 855 . 1 1 124 124 THR HG23 H 1 1.169 0.020 . 1 . . . . 124 THR QG2 . 19624 1 856 . 1 1 124 124 THR N N 15 118.114 0.3 . 1 . . . . 124 THR N . 19624 1 857 . 1 1 125 125 CYS H H 1 7.999 0.020 . 1 . . . . 125 CYS H . 19624 1 858 . 1 1 125 125 CYS HA H 1 4.950 0.020 . 1 . . . . 125 CYS HA . 19624 1 859 . 1 1 125 125 CYS HB2 H 1 1.201 0.020 . 2 . . . . 125 CYS HB2 . 19624 1 860 . 1 1 125 125 CYS HB3 H 1 1.362 0.020 . 2 . . . . 125 CYS HB3 . 19624 1 861 . 1 1 125 125 CYS N N 15 119.803 0.3 . 1 . . . . 125 CYS N . 19624 1 862 . 1 1 126 126 ASP H H 1 8.778 0.020 . 1 . . . . 126 ASP H . 19624 1 863 . 1 1 126 126 ASP HA H 1 5.076 0.020 . 1 . . . . 126 ASP HA . 19624 1 864 . 1 1 126 126 ASP HB2 H 1 2.699 0.020 . 1 . . . . 126 ASP HB2 . 19624 1 865 . 1 1 126 126 ASP HB3 H 1 2.699 0.020 . 1 . . . . 126 ASP HB3 . 19624 1 866 . 1 1 126 126 ASP N N 15 121.614 0.3 . 1 . . . . 126 ASP N . 19624 1 867 . 1 1 127 127 ASP H H 1 9.346 0.020 . 1 . . . . 127 ASP H . 19624 1 868 . 1 1 127 127 ASP HA H 1 4.451 0.020 . 1 . . . . 127 ASP HA . 19624 1 869 . 1 1 127 127 ASP HB2 H 1 2.757 0.020 . 2 . . . . 127 ASP HB2 . 19624 1 870 . 1 1 127 127 ASP HB3 H 1 3.077 0.020 . 2 . . . . 127 ASP HB3 . 19624 1 871 . 1 1 127 127 ASP N N 15 121.082 0.3 . 1 . . . . 127 ASP N . 19624 1 872 . 1 1 128 128 TYR H H 1 8.772 0.020 . 1 . . . . 128 TYR H . 19624 1 873 . 1 1 128 128 TYR HA H 1 3.878 0.020 . 1 . . . . 128 TYR HA . 19624 1 874 . 1 1 128 128 TYR HB2 H 1 1.688 0.020 . 2 . . . . 128 TYR HB2 . 19624 1 875 . 1 1 128 128 TYR HB3 H 1 2.214 0.020 . 2 . . . . 128 TYR HB3 . 19624 1 876 . 1 1 128 128 TYR HD1 H 1 5.502 0.020 . 1 . . . . 128 TYR HD1 . 19624 1 877 . 1 1 128 128 TYR HD2 H 1 5.502 0.020 . 1 . . . . 128 TYR HD2 . 19624 1 878 . 1 1 128 128 TYR HE1 H 1 6.214 0.020 . 1 . . . . 128 TYR HE1 . 19624 1 879 . 1 1 128 128 TYR HE2 H 1 6.214 0.020 . 1 . . . . 128 TYR HE2 . 19624 1 880 . 1 1 128 128 TYR N N 15 124.718 0.3 . 1 . . . . 128 TYR N . 19624 1 881 . 1 1 129 129 ASN H H 1 8.064 0.020 . 1 . . . . 129 ASN H . 19624 1 882 . 1 1 129 129 ASN HA H 1 4.607 0.020 . 1 . . . . 129 ASN HA . 19624 1 883 . 1 1 129 129 ASN HB2 H 1 2.463 0.020 . 2 . . . . 129 ASN HB2 . 19624 1 884 . 1 1 129 129 ASN HB3 H 1 3.118 0.020 . 2 . . . . 129 ASN HB3 . 19624 1 885 . 1 1 129 129 ASN HD21 H 1 7.759 0.020 . 1 . . . . 129 ASN HD21 . 19624 1 886 . 1 1 129 129 ASN HD22 H 1 6.790 0.020 . 1 . . . . 129 ASN HD22 . 19624 1 887 . 1 1 129 129 ASN N N 15 128.359 0.3 . 1 . . . . 129 ASN N . 19624 1 888 . 1 1 129 129 ASN ND2 N 15 113.182 0.3 . 1 . . . . 129 ASN ND2 . 19624 1 889 . 1 1 130 130 GLU H H 1 8.800 0.020 . 1 . . . . 130 GLU H . 19624 1 890 . 1 1 130 130 GLU HA H 1 3.793 0.020 . 1 . . . . 130 GLU HA . 19624 1 891 . 1 1 130 130 GLU HB2 H 1 2.062 0.020 . 1 . . . . 130 GLU HB2 . 19624 1 892 . 1 1 130 130 GLU HB3 H 1 2.062 0.020 . 1 . . . . 130 GLU HB3 . 19624 1 893 . 1 1 130 130 GLU HG2 H 1 2.357 0.020 . 1 . . . . 130 GLU HG2 . 19624 1 894 . 1 1 130 130 GLU HG3 H 1 2.357 0.020 . 1 . . . . 130 GLU HG3 . 19624 1 895 . 1 1 130 130 GLU N N 15 123.677 0.3 . 1 . . . . 130 GLU N . 19624 1 896 . 1 1 131 131 LYS H H 1 8.159 0.020 . 1 . . . . 131 LYS H . 19624 1 897 . 1 1 131 131 LYS HA H 1 4.132 0.020 . 1 . . . . 131 LYS HA . 19624 1 898 . 1 1 131 131 LYS HB2 H 1 1.857 0.020 . 2 . . . . 131 LYS HB2 . 19624 1 899 . 1 1 131 131 LYS HB3 H 1 1.952 0.020 . 2 . . . . 131 LYS HB3 . 19624 1 900 . 1 1 131 131 LYS HG2 H 1 1.397 0.020 . 2 . . . . 131 LYS HG2 . 19624 1 901 . 1 1 131 131 LYS HG3 H 1 1.495 0.020 . 2 . . . . 131 LYS HG3 . 19624 1 902 . 1 1 131 131 LYS HD2 H 1 1.667 0.020 . 1 . . . . 131 LYS HD2 . 19624 1 903 . 1 1 131 131 LYS HD3 H 1 1.667 0.020 . 1 . . . . 131 LYS HD3 . 19624 1 904 . 1 1 131 131 LYS N N 15 118.212 0.3 . 1 . . . . 131 LYS N . 19624 1 905 . 1 1 132 132 THR H H 1 7.111 0.020 . 1 . . . . 132 THR H . 19624 1 906 . 1 1 132 132 THR HA H 1 4.254 0.020 . 1 . . . . 132 THR HA . 19624 1 907 . 1 1 132 132 THR HB H 1 4.187 0.020 . 1 . . . . 132 THR HB . 19624 1 908 . 1 1 132 132 THR HG21 H 1 1.026 0.020 . 1 . . . . 132 THR QG2 . 19624 1 909 . 1 1 132 132 THR HG22 H 1 1.026 0.020 . 1 . . . . 132 THR QG2 . 19624 1 910 . 1 1 132 132 THR HG23 H 1 1.026 0.020 . 1 . . . . 132 THR QG2 . 19624 1 911 . 1 1 132 132 THR N N 15 106.435 0.3 . 1 . . . . 132 THR N . 19624 1 912 . 1 1 133 133 GLY H H 1 8.300 0.020 . 1 . . . . 133 GLY H . 19624 1 913 . 1 1 133 133 GLY HA2 H 1 3.490 0.020 . 2 . . . . 133 GLY HA2 . 19624 1 914 . 1 1 133 133 GLY HA3 H 1 3.851 0.020 . 2 . . . . 133 GLY HA3 . 19624 1 915 . 1 1 133 133 GLY N N 15 112.088 0.3 . 1 . . . . 133 GLY N . 19624 1 916 . 1 1 134 134 VAL H H 1 6.676 0.020 . 1 . . . . 134 VAL H . 19624 1 917 . 1 1 134 134 VAL HA H 1 4.290 0.020 . 1 . . . . 134 VAL HA . 19624 1 918 . 1 1 134 134 VAL HB H 1 1.862 0.020 . 1 . . . . 134 VAL HB . 19624 1 919 . 1 1 134 134 VAL HG11 H 1 0.702 0.020 . 2 . . . . 134 VAL QG1 . 19624 1 920 . 1 1 134 134 VAL HG12 H 1 0.702 0.020 . 2 . . . . 134 VAL QG1 . 19624 1 921 . 1 1 134 134 VAL HG13 H 1 0.702 0.020 . 2 . . . . 134 VAL QG1 . 19624 1 922 . 1 1 134 134 VAL HG21 H 1 0.765 0.020 . 2 . . . . 134 VAL QG2 . 19624 1 923 . 1 1 134 134 VAL HG22 H 1 0.765 0.020 . 2 . . . . 134 VAL QG2 . 19624 1 924 . 1 1 134 134 VAL HG23 H 1 0.765 0.020 . 2 . . . . 134 VAL QG2 . 19624 1 925 . 1 1 134 134 VAL N N 15 115.595 0.3 . 1 . . . . 134 VAL N . 19624 1 926 . 1 1 135 135 TRP H H 1 8.488 0.020 . 1 . . . . 135 TRP H . 19624 1 927 . 1 1 135 135 TRP HA H 1 4.443 0.020 . 1 . . . . 135 TRP HA . 19624 1 928 . 1 1 135 135 TRP HB2 H 1 3.064 0.020 . 2 . . . . 135 TRP HB2 . 19624 1 929 . 1 1 135 135 TRP HB3 H 1 3.145 0.020 . 2 . . . . 135 TRP HB3 . 19624 1 930 . 1 1 135 135 TRP HD1 H 1 7.510 0.020 . 1 . . . . 135 TRP HD1 . 19624 1 931 . 1 1 135 135 TRP HE1 H 1 10.351 0.020 . 1 . . . . 135 TRP HE1 . 19624 1 932 . 1 1 135 135 TRP HE3 H 1 7.247 0.020 . 1 . . . . 135 TRP HE3 . 19624 1 933 . 1 1 135 135 TRP HZ2 H 1 6.576 0.020 . 1 . . . . 135 TRP HZ2 . 19624 1 934 . 1 1 135 135 TRP HZ3 H 1 7.122 0.020 . 1 . . . . 135 TRP HZ3 . 19624 1 935 . 1 1 135 135 TRP N N 15 124.931 0.3 . 1 . . . . 135 TRP N . 19624 1 936 . 1 1 135 135 TRP NE1 N 15 130.528 0.3 . 1 . . . . 135 TRP NE1 . 19624 1 937 . 1 1 136 136 GLU H H 1 8.713 0.020 . 1 . . . . 136 GLU H . 19624 1 938 . 1 1 136 136 GLU HA H 1 4.177 0.020 . 1 . . . . 136 GLU HA . 19624 1 939 . 1 1 136 136 GLU HB2 H 1 2.232 0.020 . 1 . . . . 136 GLU HB2 . 19624 1 940 . 1 1 136 136 GLU N N 15 124.263 0.3 . 1 . . . . 136 GLU N . 19624 1 941 . 1 1 137 137 LYS H H 1 8.257 0.020 . 1 . . . . 137 LYS H . 19624 1 942 . 1 1 137 137 LYS HA H 1 4.714 0.020 . 1 . . . . 137 LYS HA . 19624 1 943 . 1 1 137 137 LYS HB2 H 1 1.709 0.020 . 1 . . . . 137 LYS HB2 . 19624 1 944 . 1 1 137 137 LYS HB3 H 1 1.709 0.020 . 1 . . . . 137 LYS HB3 . 19624 1 945 . 1 1 137 137 LYS HG2 H 1 1.457 0.020 . 1 . . . . 137 LYS HG2 . 19624 1 946 . 1 1 137 137 LYS HG3 H 1 1.457 0.020 . 1 . . . . 137 LYS HG3 . 19624 1 947 . 1 1 137 137 LYS N N 15 119.167 0.3 . 1 . . . . 137 LYS N . 19624 1 948 . 1 1 138 138 ARG H H 1 8.137 0.020 . 1 . . . . 138 ARG H . 19624 1 949 . 1 1 138 138 ARG HA H 1 5.720 0.020 . 1 . . . . 138 ARG HA . 19624 1 950 . 1 1 138 138 ARG HB2 H 1 1.706 0.020 . 1 . . . . 138 ARG HB2 . 19624 1 951 . 1 1 138 138 ARG HB3 H 1 1.706 0.020 . 1 . . . . 138 ARG HB3 . 19624 1 952 . 1 1 138 138 ARG HD2 H 1 3.138 0.020 . 2 . . . . 138 ARG HD2 . 19624 1 953 . 1 1 138 138 ARG HD3 H 1 3.570 0.020 . 2 . . . . 138 ARG HD3 . 19624 1 954 . 1 1 138 138 ARG HE H 1 7.231 0.020 . 1 . . . . 138 ARG HE . 19624 1 955 . 1 1 138 138 ARG N N 15 124.871 0.3 . 1 . . . . 138 ARG N . 19624 1 956 . 1 1 138 138 ARG NE N 15 84.295 0.3 . 1 . . . . 138 ARG NE . 19624 1 957 . 1 1 139 139 LYS H H 1 8.067 0.020 . 1 . . . . 139 LYS H . 19624 1 958 . 1 1 139 139 LYS HA H 1 4.793 0.020 . 1 . . . . 139 LYS HA . 19624 1 959 . 1 1 139 139 LYS HB2 H 1 1.767 0.020 . 2 . . . . 139 LYS HB2 . 19624 1 960 . 1 1 139 139 LYS HB3 H 1 2.039 0.020 . 2 . . . . 139 LYS HB3 . 19624 1 961 . 1 1 139 139 LYS N N 15 120.568 0.3 . 1 . . . . 139 LYS N . 19624 1 962 . 1 1 140 140 ILE H H 1 9.048 0.020 . 1 . . . . 140 ILE H . 19624 1 963 . 1 1 140 140 ILE HA H 1 5.208 0.020 . 1 . . . . 140 ILE HA . 19624 1 964 . 1 1 140 140 ILE HB H 1 1.549 0.020 . 1 . . . . 140 ILE HB . 19624 1 965 . 1 1 140 140 ILE HG21 H 1 0.725 0.020 . 1 . . . . 140 ILE QG2 . 19624 1 966 . 1 1 140 140 ILE HG22 H 1 0.725 0.020 . 1 . . . . 140 ILE QG2 . 19624 1 967 . 1 1 140 140 ILE HG23 H 1 0.725 0.020 . 1 . . . . 140 ILE QG2 . 19624 1 968 . 1 1 140 140 ILE N N 15 116.913 0.3 . 1 . . . . 140 ILE N . 19624 1 969 . 1 1 141 141 PHE H H 1 9.075 0.020 . 1 . . . . 141 PHE H . 19624 1 970 . 1 1 141 141 PHE HA H 1 5.053 0.020 . 1 . . . . 141 PHE HA . 19624 1 971 . 1 1 141 141 PHE HB3 H 1 3.062 0.020 . 1 . . . . 141 PHE HB3 . 19624 1 972 . 1 1 141 141 PHE HD1 H 1 7.210 0.020 . 1 . . . . 141 PHE HD1 . 19624 1 973 . 1 1 141 141 PHE HD2 H 1 7.210 0.020 . 1 . . . . 141 PHE HD2 . 19624 1 974 . 1 1 141 141 PHE N N 15 123.473 0.3 . 1 . . . . 141 PHE N . 19624 1 975 . 1 1 142 142 VAL HA H 1 4.852 0.020 . 1 . . . . 142 VAL HA . 19624 1 976 . 1 1 142 142 VAL HB H 1 1.855 0.020 . 1 . . . . 142 VAL HB . 19624 1 977 . 1 1 142 142 VAL HG11 H 1 0.751 0.020 . 2 . . . . 142 VAL QG1 . 19624 1 978 . 1 1 142 142 VAL HG12 H 1 0.751 0.020 . 2 . . . . 142 VAL QG1 . 19624 1 979 . 1 1 142 142 VAL HG13 H 1 0.751 0.020 . 2 . . . . 142 VAL QG1 . 19624 1 980 . 1 1 142 142 VAL HG21 H 1 0.860 0.020 . 2 . . . . 142 VAL QG2 . 19624 1 981 . 1 1 142 142 VAL HG22 H 1 0.860 0.020 . 2 . . . . 142 VAL QG2 . 19624 1 982 . 1 1 142 142 VAL HG23 H 1 0.860 0.020 . 2 . . . . 142 VAL QG2 . 19624 1 983 . 1 1 143 143 ALA H H 1 9.509 0.020 . 1 . . . . 143 ALA H . 19624 1 984 . 1 1 143 143 ALA HA H 1 5.371 0.020 . 1 . . . . 143 ALA HA . 19624 1 985 . 1 1 143 143 ALA N N 15 133.374 0.3 . 1 . . . . 143 ALA N . 19624 1 986 . 1 1 144 144 THR H H 1 8.707 0.020 . 1 . . . . 144 THR H . 19624 1 987 . 1 1 144 144 THR HA H 1 5.111 0.020 . 1 . . . . 144 THR HA . 19624 1 988 . 1 1 144 144 THR HB H 1 4.130 0.020 . 1 . . . . 144 THR HB . 19624 1 989 . 1 1 144 144 THR HG21 H 1 1.304 0.020 . 1 . . . . 144 THR QG2 . 19624 1 990 . 1 1 144 144 THR HG22 H 1 1.304 0.020 . 1 . . . . 144 THR QG2 . 19624 1 991 . 1 1 144 144 THR HG23 H 1 1.304 0.020 . 1 . . . . 144 THR QG2 . 19624 1 992 . 1 1 144 144 THR N N 15 115.292 0.3 . 1 . . . . 144 THR N . 19624 1 993 . 1 1 145 145 GLU H H 1 8.918 0.020 . 1 . . . . 145 GLU H . 19624 1 994 . 1 1 145 145 GLU HA H 1 3.925 0.020 . 1 . . . . 145 GLU HA . 19624 1 995 . 1 1 145 145 GLU HB2 H 1 1.802 0.020 . 2 . . . . 145 GLU HB2 . 19624 1 996 . 1 1 145 145 GLU HB3 H 1 1.878 0.020 . 2 . . . . 145 GLU HB3 . 19624 1 997 . 1 1 145 145 GLU HG2 H 1 2.065 0.020 . 1 . . . . 145 GLU HG2 . 19624 1 998 . 1 1 145 145 GLU HG3 H 1 2.065 0.020 . 1 . . . . 145 GLU HG3 . 19624 1 999 . 1 1 145 145 GLU N N 15 127.175 0.3 . 1 . . . . 145 GLU N . 19624 1 1000 . 1 1 146 146 VAL H H 1 8.452 0.020 . 1 . . . . 146 VAL H . 19624 1 1001 . 1 1 146 146 VAL HA H 1 4.119 0.020 . 1 . . . . 146 VAL HA . 19624 1 1002 . 1 1 146 146 VAL HB H 1 1.810 0.020 . 1 . . . . 146 VAL HB . 19624 1 1003 . 1 1 146 146 VAL HG11 H 1 0.798 0.020 . 2 . . . . 146 VAL QG1 . 19624 1 1004 . 1 1 146 146 VAL HG12 H 1 0.798 0.020 . 2 . . . . 146 VAL QG1 . 19624 1 1005 . 1 1 146 146 VAL HG13 H 1 0.798 0.020 . 2 . . . . 146 VAL QG1 . 19624 1 1006 . 1 1 146 146 VAL HG21 H 1 0.877 0.020 . 2 . . . . 146 VAL QG2 . 19624 1 1007 . 1 1 146 146 VAL HG22 H 1 0.877 0.020 . 2 . . . . 146 VAL QG2 . 19624 1 1008 . 1 1 146 146 VAL HG23 H 1 0.877 0.020 . 2 . . . . 146 VAL QG2 . 19624 1 1009 . 1 1 146 146 VAL N N 15 126.990 0.3 . 1 . . . . 146 VAL N . 19624 1 1010 . 1 1 147 147 LYS H H 1 8.520 0.020 . 1 . . . . 147 LYS H . 19624 1 1011 . 1 1 147 147 LYS HA H 1 4.418 0.020 . 1 . . . . 147 LYS HA . 19624 1 1012 . 1 1 147 147 LYS HB2 H 1 1.758 0.020 . 2 . . . . 147 LYS HB2 . 19624 1 1013 . 1 1 147 147 LYS HB3 H 1 1.819 0.020 . 2 . . . . 147 LYS HB3 . 19624 1 1014 . 1 1 147 147 LYS HG2 H 1 1.461 0.020 . 1 . . . . 147 LYS HG2 . 19624 1 1015 . 1 1 147 147 LYS HG3 H 1 1.461 0.020 . 1 . . . . 147 LYS HG3 . 19624 1 1016 . 1 1 147 147 LYS HD2 H 1 1.681 0.020 . 1 . . . . 147 LYS HD2 . 19624 1 1017 . 1 1 147 147 LYS HD3 H 1 1.681 0.020 . 1 . . . . 147 LYS HD3 . 19624 1 1018 . 1 1 147 147 LYS N N 15 127.100 0.3 . 1 . . . . 147 LYS N . 19624 1 1019 . 1 1 148 148 THR H H 1 8.629 0.020 . 1 . . . . 148 THR H . 19624 1 1020 . 1 1 148 148 THR N N 15 111.625 0.3 . 1 . . . . 148 THR N . 19624 1 1021 . 1 1 149 149 ARG H H 1 8.425 0.020 . 1 . . . . 149 ARG H . 19624 1 1022 . 1 1 149 149 ARG HA H 1 4.483 0.020 . 1 . . . . 149 ARG HA . 19624 1 1023 . 1 1 149 149 ARG N N 15 122.847 0.3 . 1 . . . . 149 ARG N . 19624 1 1024 . 1 1 150 150 GLU H H 1 8.558 0.020 . 1 . . . . 150 GLU H . 19624 1 1025 . 1 1 150 150 GLU N N 15 122.546 0.3 . 1 . . . . 150 GLU N . 19624 1 1026 . 1 1 151 151 SER H H 1 8.397 0.020 . 1 . . . . 151 SER H . 19624 1 1027 . 1 1 151 151 SER HA H 1 4.376 0.020 . 1 . . . . 151 SER HA . 19624 1 1028 . 1 1 151 151 SER N N 15 116.335 0.3 . 1 . . . . 151 SER N . 19624 1 1029 . 1 1 152 152 GLY H H 1 8.411 0.020 . 1 . . . . 152 GLY H . 19624 1 1030 . 1 1 152 152 GLY N N 15 110.851 0.3 . 1 . . . . 152 GLY N . 19624 1 1031 . 1 1 153 153 SER H H 1 8.160 0.020 . 1 . . . . 153 SER H . 19624 1 1032 . 1 1 153 153 SER HA H 1 4.482 0.020 . 1 . . . . 153 SER HA . 19624 1 1033 . 1 1 153 153 SER HB2 H 1 3.851 0.020 . 1 . . . . 153 SER HB2 . 19624 1 1034 . 1 1 153 153 SER HB3 H 1 3.851 0.020 . 1 . . . . 153 SER HB3 . 19624 1 1035 . 1 1 153 153 SER N N 15 115.684 0.3 . 1 . . . . 153 SER N . 19624 1 1036 . 1 1 154 154 ILE H H 1 8.176 0.020 . 1 . . . . 154 ILE H . 19624 1 1037 . 1 1 154 154 ILE HA H 1 4.150 0.020 . 1 . . . . 154 ILE HA . 19624 1 1038 . 1 1 154 154 ILE HB H 1 1.835 0.020 . 1 . . . . 154 ILE HB . 19624 1 1039 . 1 1 154 154 ILE HG12 H 1 1.158 0.020 . 2 . . . . 154 ILE HG12 . 19624 1 1040 . 1 1 154 154 ILE HG13 H 1 1.418 0.020 . 2 . . . . 154 ILE HG13 . 19624 1 1041 . 1 1 154 154 ILE HG21 H 1 0.820 0.020 . 1 . . . . 154 ILE QG2 . 19624 1 1042 . 1 1 154 154 ILE HG22 H 1 0.820 0.020 . 1 . . . . 154 ILE QG2 . 19624 1 1043 . 1 1 154 154 ILE HG23 H 1 0.820 0.020 . 1 . . . . 154 ILE QG2 . 19624 1 1044 . 1 1 154 154 ILE N N 15 122.590 0.3 . 1 . . . . 154 ILE N . 19624 1 1045 . 1 1 155 155 GLU H H 1 8.352 0.020 . 1 . . . . 155 GLU H . 19624 1 1046 . 1 1 155 155 GLU N N 15 124.540 0.3 . 1 . . . . 155 GLU N . 19624 1 1047 . 1 1 156 156 PHE H H 1 8.250 0.020 . 1 . . . . 156 PHE H . 19624 1 1048 . 1 1 156 156 PHE HA H 1 4.483 0.020 . 1 . . . . 156 PHE HA . 19624 1 1049 . 1 1 156 156 PHE HB2 H 1 3.851 0.020 . 1 . . . . 156 PHE HB2 . 19624 1 1050 . 1 1 156 156 PHE HB3 H 1 3.851 0.020 . 1 . . . . 156 PHE HB3 . 19624 1 1051 . 1 1 156 156 PHE N N 15 120.988 0.3 . 1 . . . . 156 PHE N . 19624 1 stop_ save_