data_4879 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4879 _Entry.Title ; Assignment of the 1H, 13C and 15N Signals of Sortase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-24 _Entry.Accession_date 2000-10-24 _Entry.Last_release_date 2001-04-26 _Entry.Original_release_date 2001-04-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Udayar Ilangovan . . . 4879 2 Junji Iwahara . . . 4879 3 Hung Ton-That . . . 4879 4 Olaf Schneewind . . . 4879 5 Robert Clubb . . . 4879 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4879 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 642 4879 '15N chemical shifts' 147 4879 '1H chemical shifts' 966 4879 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 . . 2001-04-26 2000-10-24 original author . 4879 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1IJA 'BMRB Entry Tracking System' 4879 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4879 _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 ; Letter to the Editor: Assignment of the 1H, 13C and 15N Signals of Sortase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 379 _Citation.Page_last 380 _Citation.Year 2001 _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 Udayar Ilangovan . . . 4879 1 2 Junji Iwahara . . . 4879 1 3 Hung Ton-That . . . 4879 1 4 Olaf Schneewind . . . 4879 1 5 Robert Clubb . T. . 4879 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_SrtA _Assembly.Sf_category assembly _Assembly.Sf_framecode SrtA _Assembly.Entry_ID 4879 _Assembly.ID 1 _Assembly.Name Sortase _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4879 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Sortase 1 $Sortase . . . native . . . . . 4879 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Sortase system 4879 1 SrtA abbreviation 4879 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Transpeptidase 4879 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sortase _Entity.Sf_category entity _Entity.Sf_framecode Sortase _Entity.Entry_ID 4879 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Staphyloccal Sortase' _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 ; MQAKPQIPKDKSKVAGYIEI PDADIKEPVYPGPATPEQLN RGVSFAEENESLDDQNISIA GHTFIDRPNYQFTNLKAAKK GSMVYFKVGNETRKYKMTSI RDVKPTDVGVLDEQKGKDKQ LTLITCDDYNEKTGVWEKRK IFVATEVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 . . . . . 100.00 148 100.00 100.00 2.21e-103 . . . . 4879 1 2 no BMRB 19624 . circular_sortase_A . . . . . 99.32 156 99.32 99.32 1.99e-101 . . . . 4879 1 3 no BMRB 19826 . sortase_A . . . . . 100.00 148 99.32 99.32 2.50e-102 . . . . 4879 1 4 no PDB 1IJA . "Structure Of Sortase" . . . . . 100.00 148 100.00 100.00 2.21e-103 . . . . 4879 1 5 no PDB 1T2O . "Crystal Structure Of Se-Srta, C184-Ala" . . . . . 98.65 146 97.95 97.95 3.50e-98 . . . . 4879 1 6 no PDB 1T2P . "Crystal Structure Of Sortase A From Staphylococcus Aureus" . . . . . 98.65 146 100.00 100.00 1.10e-101 . . . . 4879 1 7 no PDB 1T2W . "Crystal Structure Of Sortase A In Complex With A Lpetg Peptide" . . . . . 97.97 145 99.31 99.31 1.16e-99 . . . . 4879 1 8 no PDB 2KID . "Solution Structure Of The S. Aureus Sortase A-Substrate Complex" . . . . . 100.00 148 100.00 100.00 2.21e-103 . . . . 4879 1 9 no PDB 2MLM . "Solution Structure Of Sortase A From S. Aureus In Complex With Benzo[d]isothiazol-3-one Based Inhibitor" . . . . . 100.00 148 99.32 99.32 2.50e-102 . . . . 4879 1 10 no DBJ BAB43619 . "sortase [Staphylococcus aureus subsp. aureus N315]" . . . . . 99.32 206 99.32 99.32 5.71e-101 . . . . 4879 1 11 no DBJ BAB58690 . "sortase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 99.32 206 99.32 99.32 5.71e-101 . . . . 4879 1 12 no DBJ BAB96313 . "sortase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 99.32 206 99.32 99.32 3.61e-101 . . . . 4879 1 13 no DBJ BAF68698 . "sortase A, peptide LPXTG peptidoglycan transferase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 99.32 206 100.00 100.00 3.10e-102 . . . . 4879 1 14 no DBJ BAF79395 . "sortase [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 99.32 206 99.32 99.32 5.71e-101 . . . . 4879 1 15 no EMBL CAG41587 . "sortase A [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 99.32 206 99.32 99.32 5.71e-101 . . . . 4879 1 16 no EMBL CAG44229 . "sortase A [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 99.32 206 99.32 99.32 3.61e-101 . . . . 4879 1 17 no EMBL CAI82090 . "sortase [Staphylococcus aureus RF122]" . . . . . 99.32 206 97.28 97.28 1.16e-98 . . . . 4879 1 18 no EMBL CAQ50958 . "sortase [Staphylococcus aureus subsp. aureus ST398]" . . . . . 99.32 206 98.64 98.64 3.57e-100 . . . . 4879 1 19 no EMBL CBI50513 . "sortase A [Staphylococcus aureus subsp. aureus TW20]" . . . . . 99.32 206 100.00 100.00 3.10e-102 . . . . 4879 1 20 no GB AAD48437 . "sortase [Staphylococcus aureus]" . . . . . 99.32 206 100.00 100.00 3.10e-102 . . . . 4879 1 21 no GB AAW37316 . "sortase [Staphylococcus aureus subsp. aureus COL]" . . . . . 99.32 206 100.00 100.00 3.10e-102 . . . . 4879 1 22 no GB ABD22861 . "sortase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 99.32 206 100.00 100.00 3.10e-102 . . . . 4879 1 23 no GB ABD31836 . "sortase, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 99.32 206 100.00 100.00 3.10e-102 . . . . 4879 1 24 no GB ABQ50328 . "sortase family protein [Staphylococcus aureus subsp. aureus JH9]" . . . . . 99.32 206 99.32 99.32 5.71e-101 . . . . 4879 1 25 no REF NP_373052 . "sortase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 99.32 206 99.32 99.32 5.71e-101 . . . . 4879 1 26 no REF NP_375640 . "sortase [Staphylococcus aureus subsp. aureus N315]" . . . . . 99.32 206 99.32 99.32 5.71e-101 . . . . 4879 1 27 no REF NP_647265 . "sortase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 99.32 206 99.32 99.32 3.61e-101 . . . . 4879 1 28 no REF WP_000759357 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 98.64 98.64 3.46e-100 . . . . 4879 1 29 no REF WP_000759358 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 97.96 98.64 4.54e-100 . . . . 4879 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Sortase abbreviation 4879 1 SrtA variant 4879 1 'Staphyloccal Sortase' common 4879 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4879 1 2 . GLN . 4879 1 3 . ALA . 4879 1 4 . LYS . 4879 1 5 . PRO . 4879 1 6 . GLN . 4879 1 7 . ILE . 4879 1 8 . PRO . 4879 1 9 . LYS . 4879 1 10 . ASP . 4879 1 11 . LYS . 4879 1 12 . SER . 4879 1 13 . LYS . 4879 1 14 . VAL . 4879 1 15 . ALA . 4879 1 16 . GLY . 4879 1 17 . TYR . 4879 1 18 . ILE . 4879 1 19 . GLU . 4879 1 20 . ILE . 4879 1 21 . PRO . 4879 1 22 . ASP . 4879 1 23 . ALA . 4879 1 24 . ASP . 4879 1 25 . ILE . 4879 1 26 . LYS . 4879 1 27 . GLU . 4879 1 28 . PRO . 4879 1 29 . VAL . 4879 1 30 . TYR . 4879 1 31 . PRO . 4879 1 32 . GLY . 4879 1 33 . PRO . 4879 1 34 . ALA . 4879 1 35 . THR . 4879 1 36 . PRO . 4879 1 37 . GLU . 4879 1 38 . GLN . 4879 1 39 . LEU . 4879 1 40 . ASN . 4879 1 41 . ARG . 4879 1 42 . GLY . 4879 1 43 . VAL . 4879 1 44 . SER . 4879 1 45 . PHE . 4879 1 46 . ALA . 4879 1 47 . GLU . 4879 1 48 . GLU . 4879 1 49 . ASN . 4879 1 50 . GLU . 4879 1 51 . SER . 4879 1 52 . LEU . 4879 1 53 . ASP . 4879 1 54 . ASP . 4879 1 55 . GLN . 4879 1 56 . ASN . 4879 1 57 . ILE . 4879 1 58 . SER . 4879 1 59 . ILE . 4879 1 60 . ALA . 4879 1 61 . GLY . 4879 1 62 . HIS . 4879 1 63 . THR . 4879 1 64 . PHE . 4879 1 65 . ILE . 4879 1 66 . ASP . 4879 1 67 . ARG . 4879 1 68 . PRO . 4879 1 69 . ASN . 4879 1 70 . TYR . 4879 1 71 . GLN . 4879 1 72 . PHE . 4879 1 73 . THR . 4879 1 74 . ASN . 4879 1 75 . LEU . 4879 1 76 . LYS . 4879 1 77 . ALA . 4879 1 78 . ALA . 4879 1 79 . LYS . 4879 1 80 . LYS . 4879 1 81 . GLY . 4879 1 82 . SER . 4879 1 83 . MET . 4879 1 84 . VAL . 4879 1 85 . TYR . 4879 1 86 . PHE . 4879 1 87 . LYS . 4879 1 88 . VAL . 4879 1 89 . GLY . 4879 1 90 . ASN . 4879 1 91 . GLU . 4879 1 92 . THR . 4879 1 93 . ARG . 4879 1 94 . LYS . 4879 1 95 . TYR . 4879 1 96 . LYS . 4879 1 97 . MET . 4879 1 98 . THR . 4879 1 99 . SER . 4879 1 100 . ILE . 4879 1 101 . ARG . 4879 1 102 . ASP . 4879 1 103 . VAL . 4879 1 104 . LYS . 4879 1 105 . PRO . 4879 1 106 . THR . 4879 1 107 . ASP . 4879 1 108 . VAL . 4879 1 109 . GLY . 4879 1 110 . VAL . 4879 1 111 . LEU . 4879 1 112 . ASP . 4879 1 113 . GLU . 4879 1 114 . GLN . 4879 1 115 . LYS . 4879 1 116 . GLY . 4879 1 117 . LYS . 4879 1 118 . ASP . 4879 1 119 . LYS . 4879 1 120 . GLN . 4879 1 121 . LEU . 4879 1 122 . THR . 4879 1 123 . LEU . 4879 1 124 . ILE . 4879 1 125 . THR . 4879 1 126 . CYS . 4879 1 127 . ASP . 4879 1 128 . ASP . 4879 1 129 . TYR . 4879 1 130 . ASN . 4879 1 131 . GLU . 4879 1 132 . LYS . 4879 1 133 . THR . 4879 1 134 . GLY . 4879 1 135 . VAL . 4879 1 136 . TRP . 4879 1 137 . GLU . 4879 1 138 . LYS . 4879 1 139 . ARG . 4879 1 140 . LYS . 4879 1 141 . ILE . 4879 1 142 . PHE . 4879 1 143 . VAL . 4879 1 144 . ALA . 4879 1 145 . THR . 4879 1 146 . GLU . 4879 1 147 . VAL . 4879 1 148 . LYS . 4879 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4879 1 . GLN 2 2 4879 1 . ALA 3 3 4879 1 . LYS 4 4 4879 1 . PRO 5 5 4879 1 . GLN 6 6 4879 1 . ILE 7 7 4879 1 . PRO 8 8 4879 1 . LYS 9 9 4879 1 . ASP 10 10 4879 1 . LYS 11 11 4879 1 . SER 12 12 4879 1 . LYS 13 13 4879 1 . VAL 14 14 4879 1 . ALA 15 15 4879 1 . GLY 16 16 4879 1 . TYR 17 17 4879 1 . ILE 18 18 4879 1 . GLU 19 19 4879 1 . ILE 20 20 4879 1 . PRO 21 21 4879 1 . ASP 22 22 4879 1 . ALA 23 23 4879 1 . ASP 24 24 4879 1 . ILE 25 25 4879 1 . LYS 26 26 4879 1 . GLU 27 27 4879 1 . PRO 28 28 4879 1 . VAL 29 29 4879 1 . TYR 30 30 4879 1 . PRO 31 31 4879 1 . GLY 32 32 4879 1 . PRO 33 33 4879 1 . ALA 34 34 4879 1 . THR 35 35 4879 1 . PRO 36 36 4879 1 . GLU 37 37 4879 1 . GLN 38 38 4879 1 . LEU 39 39 4879 1 . ASN 40 40 4879 1 . ARG 41 41 4879 1 . GLY 42 42 4879 1 . VAL 43 43 4879 1 . SER 44 44 4879 1 . PHE 45 45 4879 1 . ALA 46 46 4879 1 . GLU 47 47 4879 1 . GLU 48 48 4879 1 . ASN 49 49 4879 1 . GLU 50 50 4879 1 . SER 51 51 4879 1 . LEU 52 52 4879 1 . ASP 53 53 4879 1 . ASP 54 54 4879 1 . GLN 55 55 4879 1 . ASN 56 56 4879 1 . ILE 57 57 4879 1 . SER 58 58 4879 1 . ILE 59 59 4879 1 . ALA 60 60 4879 1 . GLY 61 61 4879 1 . HIS 62 62 4879 1 . THR 63 63 4879 1 . PHE 64 64 4879 1 . ILE 65 65 4879 1 . ASP 66 66 4879 1 . ARG 67 67 4879 1 . PRO 68 68 4879 1 . ASN 69 69 4879 1 . TYR 70 70 4879 1 . GLN 71 71 4879 1 . PHE 72 72 4879 1 . THR 73 73 4879 1 . ASN 74 74 4879 1 . LEU 75 75 4879 1 . LYS 76 76 4879 1 . ALA 77 77 4879 1 . ALA 78 78 4879 1 . LYS 79 79 4879 1 . LYS 80 80 4879 1 . GLY 81 81 4879 1 . SER 82 82 4879 1 . MET 83 83 4879 1 . VAL 84 84 4879 1 . TYR 85 85 4879 1 . PHE 86 86 4879 1 . LYS 87 87 4879 1 . VAL 88 88 4879 1 . GLY 89 89 4879 1 . ASN 90 90 4879 1 . GLU 91 91 4879 1 . THR 92 92 4879 1 . ARG 93 93 4879 1 . LYS 94 94 4879 1 . TYR 95 95 4879 1 . LYS 96 96 4879 1 . MET 97 97 4879 1 . THR 98 98 4879 1 . SER 99 99 4879 1 . ILE 100 100 4879 1 . ARG 101 101 4879 1 . ASP 102 102 4879 1 . VAL 103 103 4879 1 . LYS 104 104 4879 1 . PRO 105 105 4879 1 . THR 106 106 4879 1 . ASP 107 107 4879 1 . VAL 108 108 4879 1 . GLY 109 109 4879 1 . VAL 110 110 4879 1 . LEU 111 111 4879 1 . ASP 112 112 4879 1 . GLU 113 113 4879 1 . GLN 114 114 4879 1 . LYS 115 115 4879 1 . GLY 116 116 4879 1 . LYS 117 117 4879 1 . ASP 118 118 4879 1 . LYS 119 119 4879 1 . GLN 120 120 4879 1 . LEU 121 121 4879 1 . THR 122 122 4879 1 . LEU 123 123 4879 1 . ILE 124 124 4879 1 . THR 125 125 4879 1 . CYS 126 126 4879 1 . ASP 127 127 4879 1 . ASP 128 128 4879 1 . TYR 129 129 4879 1 . ASN 130 130 4879 1 . GLU 131 131 4879 1 . LYS 132 132 4879 1 . THR 133 133 4879 1 . GLY 134 134 4879 1 . VAL 135 135 4879 1 . TRP 136 136 4879 1 . GLU 137 137 4879 1 . LYS 138 138 4879 1 . ARG 139 139 4879 1 . LYS 140 140 4879 1 . ILE 141 141 4879 1 . PHE 142 142 4879 1 . VAL 143 143 4879 1 . ALA 144 144 4879 1 . THR 145 145 4879 1 . GLU 146 146 4879 1 . VAL 147 147 4879 1 . LYS 148 148 4879 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 4879 _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 $Sortase . 1280 . . 'Staphylococcus aureus' . . . Eubacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 4879 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 4879 _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 $Sortase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 4879 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Staphyloccal Sortase' . . . 1 $Sortase . . 2.5 . . mM . . . . 4879 1 2 Tris . . . . . . . 50 . . mM . . . . 4879 1 3 NaCl . . . . . . . 100 . . mM . . . . 4879 1 4 CaCl2 . . . . . . . 10 . . mM . . . . 4879 1 5 DTT . . . . . . . 3 . . mM . . . . 4879 1 6 D2O . . . . . . . 7 . . % . . . . 4879 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond-1 _Sample_condition_list.Entry_ID 4879 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6.2 0.1 n/a 4879 1 temperature 308 1 K 4879 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4879 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4879 _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 unknown unknown . 0 'spectrometer information not available' . . 4879 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 4879 _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-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 3 '3D 1H-13C-1H HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 4 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 5 '3D 13C-1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 6 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 7 '3D 1H-13C-1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 8 '3D 1H-13C-1H HCC-TOCSY-CCH-E.COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 9 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 10 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 11 '3D HCACO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 12 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 13 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 14 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 15 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 16 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 17 '4D 1H-15N-1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 18 '4D 1H-13C-13C-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4879 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-13C-1H HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 13C-1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-13C-1H HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-13C-1H HCC-TOCSY-CCH-E.COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HCACO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '4D 1H-15N-1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 4879 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '4D 1H-13C-13C-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4879 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4879 1 H 1 TMS 'methyl protons' . . . . ppm 0.0 external indirect . . . . . . . . . . 4879 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4879 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_Shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_set_1 _Assigned_chem_shift_list.Entry_ID 4879 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C CT-HSQC' 1 $Sample_1 . 4879 1 2 '2D 1H-15N HSQC' 1 $Sample_1 . 4879 1 3 '3D 1H-13C-1H HCCH-COSY' 1 $Sample_1 . 4879 1 4 '3D 1H-1H-15N NOESY' 1 $Sample_1 . 4879 1 5 '3D 13C-1H-1H NOESY' 1 $Sample_1 . 4879 1 6 '3D 1H-1H-15N TOCSY' 1 $Sample_1 . 4879 1 7 '3D 1H-13C-1H HCCH-TOCSY' 1 $Sample_1 . 4879 1 8 '3D 1H-13C-1H HCC-TOCSY-CCH-E.COSY' 1 $Sample_1 . 4879 1 9 '3D CBCA(CO)NH' 1 $Sample_1 . 4879 1 10 '3D HNCACB' 1 $Sample_1 . 4879 1 11 '3D HCACO' 1 $Sample_1 . 4879 1 12 '3D HNCA' 1 $Sample_1 . 4879 1 13 '3D HNCO' 1 $Sample_1 . 4879 1 14 '3D HN(CO)CA' 1 $Sample_1 . 4879 1 15 '3D HNHA' 1 $Sample_1 . 4879 1 16 '3D HNHB' 1 $Sample_1 . 4879 1 17 '4D 1H-15N-1H-13C NOESY' 1 $Sample_1 . 4879 1 18 '4D 1H-13C-13C-1H NOESY' 1 $Sample_1 . 4879 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CE C 13 17.02 . . 1 . . . . . . . . 4879 1 2 . 1 1 1 1 MET HE1 H 1 2.09 . . 1 . . . . . . . . 4879 1 3 . 1 1 1 1 MET HE2 H 1 2.09 . . 1 . . . . . . . . 4879 1 4 . 1 1 1 1 MET HE3 H 1 2.09 . . 1 . . . . . . . . 4879 1 5 . 1 1 2 2 GLN CA C 13 55.99 . . 1 . . . . . . . . 4879 1 6 . 1 1 2 2 GLN HA H 1 4.36 . . 1 . . . . . . . . 4879 1 7 . 1 1 2 2 GLN CB C 13 29.76 . . 1 . . . . . . . . 4879 1 8 . 1 1 2 2 GLN HB2 H 1 1.99 . . 1 . . . . . . . . 4879 1 9 . 1 1 2 2 GLN HB3 H 1 2.07 . . 1 . . . . . . . . 4879 1 10 . 1 1 2 2 GLN CG C 13 34.11 . . 1 . . . . . . . . 4879 1 11 . 1 1 2 2 GLN HG2 H 1 2.00 . . 2 . . . . . . . . 4879 1 12 . 1 1 2 2 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 4879 1 13 . 1 1 2 2 GLN C C 13 175.24 . . 1 . . . . . . . . 4879 1 14 . 1 1 3 3 ALA N N 15 126.94 . . 1 . . . . . . . . 4879 1 15 . 1 1 3 3 ALA H H 1 8.42 . . 1 . . . . . . . . 4879 1 16 . 1 1 3 3 ALA CA C 13 52.42 . . 1 . . . . . . . . 4879 1 17 . 1 1 3 3 ALA HA H 1 4.31 . . 1 . . . . . . . . 4879 1 18 . 1 1 3 3 ALA CB C 13 19.54 . . 1 . . . . . . . . 4879 1 19 . 1 1 3 3 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4879 1 20 . 1 1 3 3 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4879 1 21 . 1 1 3 3 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4879 1 22 . 1 1 3 3 ALA C C 13 177.33 . . 1 . . . . . . . . 4879 1 23 . 1 1 4 4 LYS N N 15 122.33 . . 1 . . . . . . . . 4879 1 24 . 1 1 4 4 LYS H H 1 8.21 . . 1 . . . . . . . . 4879 1 25 . 1 1 4 4 LYS CA C 13 54.48 . . 1 . . . . . . . . 4879 1 26 . 1 1 4 4 LYS HA H 1 4.56 . . 1 . . . . . . . . 4879 1 27 . 1 1 4 4 LYS CB C 13 32.36 . . 1 . . . . . . . . 4879 1 28 . 1 1 4 4 LYS HB2 H 1 1.70 . . 1 . . . . . . . . 4879 1 29 . 1 1 4 4 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 4879 1 30 . 1 1 4 4 LYS CG C 13 24.78 . . 1 . . . . . . . . 4879 1 31 . 1 1 4 4 LYS CD C 13 29.41 . . 1 . . . . . . . . 4879 1 32 . 1 1 4 4 LYS CE C 13 41.96 . . 1 . . . . . . . . 4879 1 33 . 1 1 5 5 PRO CA C 13 63.21 . . 1 . . . . . . . . 4879 1 34 . 1 1 5 5 PRO HA H 1 4.43 . . 1 . . . . . . . . 4879 1 35 . 1 1 5 5 PRO CB C 13 31.94 . . 1 . . . . . . . . 4879 1 36 . 1 1 5 5 PRO HB2 H 1 1.79 . . 1 . . . . . . . . 4879 1 37 . 1 1 5 5 PRO HB3 H 1 2.23 . . 1 . . . . . . . . 4879 1 38 . 1 1 5 5 PRO CG C 13 27.08 . . 1 . . . . . . . . 4879 1 39 . 1 1 5 5 PRO HG2 H 1 2.02 . . 1 . . . . . . . . 4879 1 40 . 1 1 5 5 PRO HG3 H 1 2.02 . . 1 . . . . . . . . 4879 1 41 . 1 1 5 5 PRO CD C 13 50.70 . . 1 . . . . . . . . 4879 1 42 . 1 1 5 5 PRO HD2 H 1 3.62 . . 1 . . . . . . . . 4879 1 43 . 1 1 5 5 PRO HD3 H 1 3.82 . . 1 . . . . . . . . 4879 1 44 . 1 1 5 5 PRO C C 13 175.75 . . 1 . . . . . . . . 4879 1 45 . 1 1 6 6 GLN N N 15 118.85 . . 1 . . . . . . . . 4879 1 46 . 1 1 6 6 GLN H H 1 8.21 . . 1 . . . . . . . . 4879 1 47 . 1 1 6 6 GLN CA C 13 54.40 . . 1 . . . . . . . . 4879 1 48 . 1 1 6 6 GLN HA H 1 4.54 . . 1 . . . . . . . . 4879 1 49 . 1 1 6 6 GLN CB C 13 31.86 . . 1 . . . . . . . . 4879 1 50 . 1 1 6 6 GLN HB2 H 1 2.04 . . 1 . . . . . . . . 4879 1 51 . 1 1 6 6 GLN HB3 H 1 1.80 . . 1 . . . . . . . . 4879 1 52 . 1 1 6 6 GLN CG C 13 33.62 . . 1 . . . . . . . . 4879 1 53 . 1 1 6 6 GLN HG2 H 1 2.30 . . 1 . . . . . . . . 4879 1 54 . 1 1 6 6 GLN HG3 H 1 2.30 . . 1 . . . . . . . . 4879 1 55 . 1 1 6 6 GLN C C 13 175.53 . . 1 . . . . . . . . 4879 1 56 . 1 1 7 7 ILE N N 15 124.91 . . 1 . . . . . . . . 4879 1 57 . 1 1 7 7 ILE H H 1 8.47 . . 1 . . . . . . . . 4879 1 58 . 1 1 7 7 ILE CA C 13 60.27 . . 1 . . . . . . . . 4879 1 59 . 1 1 7 7 ILE HA H 1 4.27 . . 1 . . . . . . . . 4879 1 60 . 1 1 7 7 ILE CB C 13 39.15 . . 1 . . . . . . . . 4879 1 61 . 1 1 7 7 ILE HB H 1 1.70 . . 1 . . . . . . . . 4879 1 62 . 1 1 7 7 ILE CG1 C 13 28.66 . . 1 . . . . . . . . 4879 1 63 . 1 1 7 7 ILE HG12 H 1 0.73 . . 1 . . . . . . . . 4879 1 64 . 1 1 7 7 ILE HG13 H 1 1.57 . . 1 . . . . . . . . 4879 1 65 . 1 1 7 7 ILE CG2 C 13 16.98 . . 1 . . . . . . . . 4879 1 66 . 1 1 7 7 ILE HG21 H 1 1.06 . . 1 . . . . . . . . 4879 1 67 . 1 1 7 7 ILE HG22 H 1 1.06 . . 1 . . . . . . . . 4879 1 68 . 1 1 7 7 ILE HG23 H 1 1.06 . . 1 . . . . . . . . 4879 1 69 . 1 1 7 7 ILE CD1 C 13 12.39 . . 1 . . . . . . . . 4879 1 70 . 1 1 7 7 ILE HD11 H 1 0.17 . . 1 . . . . . . . . 4879 1 71 . 1 1 7 7 ILE HD12 H 1 0.17 . . 1 . . . . . . . . 4879 1 72 . 1 1 7 7 ILE HD13 H 1 0.17 . . 1 . . . . . . . . 4879 1 73 . 1 1 8 8 PRO CA C 13 65.20 . . 1 . . . . . . . . 4879 1 74 . 1 1 8 8 PRO HA H 1 4.42 . . 1 . . . . . . . . 4879 1 75 . 1 1 8 8 PRO CB C 13 32.49 . . 1 . . . . . . . . 4879 1 76 . 1 1 8 8 PRO HB2 H 1 2.01 . . 1 . . . . . . . . 4879 1 77 . 1 1 8 8 PRO HB3 H 1 2.35 . . 1 . . . . . . . . 4879 1 78 . 1 1 8 8 PRO CG C 13 28.01 . . 1 . . . . . . . . 4879 1 79 . 1 1 8 8 PRO HG2 H 1 2.18 . . 1 . . . . . . . . 4879 1 80 . 1 1 8 8 PRO HG3 H 1 2.18 . . 1 . . . . . . . . 4879 1 81 . 1 1 8 8 PRO CD C 13 50.80 . . 1 . . . . . . . . 4879 1 82 . 1 1 8 8 PRO HD2 H 1 3.90 . . 1 . . . . . . . . 4879 1 83 . 1 1 8 8 PRO HD3 H 1 3.99 . . 1 . . . . . . . . 4879 1 84 . 1 1 8 8 PRO C C 13 176.97 . . 1 . . . . . . . . 4879 1 85 . 1 1 9 9 LYS N N 15 119.32 . . 2 . . . . . . . . 4879 1 86 . 1 1 9 9 LYS H H 1 8.15 . . 2 . . . . . . . . 4879 1 87 . 1 1 9 9 LYS CA C 13 56.58 . . 1 . . . . . . . . 4879 1 88 . 1 1 9 9 LYS HA H 1 4.28 . . 1 . . . . . . . . 4879 1 89 . 1 1 9 9 LYS CB C 13 32.53 . . 1 . . . . . . . . 4879 1 90 . 1 1 9 9 LYS HB2 H 1 1.77 . . 1 . . . . . . . . 4879 1 91 . 1 1 9 9 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 4879 1 92 . 1 1 9 9 LYS CG C 13 25.20 . . 1 . . . . . . . . 4879 1 93 . 1 1 9 9 LYS HG2 H 1 1.30 . . 1 . . . . . . . . 4879 1 94 . 1 1 9 9 LYS HG3 H 1 1.47 . . 1 . . . . . . . . 4879 1 95 . 1 1 9 9 LYS CD C 13 28.92 . . 1 . . . . . . . . 4879 1 96 . 1 1 9 9 LYS CE C 13 42.52 . . 1 . . . . . . . . 4879 1 97 . 1 1 9 9 LYS C C 13 177.25 . . 1 . . . . . . . . 4879 1 98 . 1 1 10 10 ASP N N 15 119.19 . . 1 . . . . . . . . 4879 1 99 . 1 1 10 10 ASP H H 1 7.35 . . 1 . . . . . . . . 4879 1 100 . 1 1 10 10 ASP CA C 13 53.56 . . 1 . . . . . . . . 4879 1 101 . 1 1 10 10 ASP HA H 1 4.59 . . 1 . . . . . . . . 4879 1 102 . 1 1 10 10 ASP CB C 13 41.49 . . 1 . . . . . . . . 4879 1 103 . 1 1 10 10 ASP HB2 H 1 2.79 . . 1 . . . . . . . . 4879 1 104 . 1 1 10 10 ASP HB3 H 1 2.63 . . 1 . . . . . . . . 4879 1 105 . 1 1 10 10 ASP C C 13 176.65 . . 1 . . . . . . . . 4879 1 106 . 1 1 11 11 LYS N N 15 124.37 . . 1 . . . . . . . . 4879 1 107 . 1 1 11 11 LYS H H 1 8.39 . . 1 . . . . . . . . 4879 1 108 . 1 1 11 11 LYS CA C 13 58.59 . . 1 . . . . . . . . 4879 1 109 . 1 1 11 11 LYS HA H 1 3.91 . . 1 . . . . . . . . 4879 1 110 . 1 1 11 11 LYS CB C 13 31.86 . . 1 . . . . . . . . 4879 1 111 . 1 1 11 11 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 4879 1 112 . 1 1 11 11 LYS HB3 H 1 2.09 . . 1 . . . . . . . . 4879 1 113 . 1 1 11 11 LYS CG C 13 25.83 . . 1 . . . . . . . . 4879 1 114 . 1 1 11 11 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 4879 1 115 . 1 1 11 11 LYS HG3 H 1 1.65 . . 2 . . . . . . . . 4879 1 116 . 1 1 11 11 LYS CD C 13 29.27 . . 1 . . . . . . . . 4879 1 117 . 1 1 11 11 LYS HD2 H 1 1.65 . . 2 . . . . . . . . 4879 1 118 . 1 1 11 11 LYS HD3 H 1 1.50 . . 2 . . . . . . . . 4879 1 119 . 1 1 11 11 LYS CE C 13 42.73 . . 1 . . . . . . . . 4879 1 120 . 1 1 11 11 LYS HE2 H 1 3.14 . . 1 . . . . . . . . 4879 1 121 . 1 1 11 11 LYS HE3 H 1 3.14 . . 1 . . . . . . . . 4879 1 122 . 1 1 11 11 LYS C C 13 175.77 . . 1 . . . . . . . . 4879 1 123 . 1 1 12 12 SER N N 15 111.49 . . 1 . . . . . . . . 4879 1 124 . 1 1 12 12 SER H H 1 8.62 . . 1 . . . . . . . . 4879 1 125 . 1 1 12 12 SER CA C 13 58.64 . . 1 . . . . . . . . 4879 1 126 . 1 1 12 12 SER HA H 1 4.31 . . 1 . . . . . . . . 4879 1 127 . 1 1 12 12 SER CB C 13 64.94 . . 1 . . . . . . . . 4879 1 128 . 1 1 12 12 SER HB2 H 1 3.78 . . 1 . . . . . . . . 4879 1 129 . 1 1 12 12 SER HB3 H 1 4.06 . . 1 . . . . . . . . 4879 1 130 . 1 1 12 12 SER C C 13 174.08 . . 1 . . . . . . . . 4879 1 131 . 1 1 13 13 LYS N N 15 124.56 . . 1 . . . . . . . . 4879 1 132 . 1 1 13 13 LYS H H 1 7.60 . . 1 . . . . . . . . 4879 1 133 . 1 1 13 13 LYS CA C 13 55.12 . . 1 . . . . . . . . 4879 1 134 . 1 1 13 13 LYS HA H 1 4.51 . . 1 . . . . . . . . 4879 1 135 . 1 1 13 13 LYS CB C 13 33.82 . . 1 . . . . . . . . 4879 1 136 . 1 1 13 13 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4879 1 137 . 1 1 13 13 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4879 1 138 . 1 1 13 13 LYS CG C 13 25.15 . . 1 . . . . . . . . 4879 1 139 . 1 1 13 13 LYS CD C 13 28.93 . . 1 . . . . . . . . 4879 1 140 . 1 1 13 13 LYS C C 13 174.05 . . 1 . . . . . . . . 4879 1 141 . 1 1 14 14 VAL N N 15 120.19 . . 1 . . . . . . . . 4879 1 142 . 1 1 14 14 VAL H H 1 7.76 . . 1 . . . . . . . . 4879 1 143 . 1 1 14 14 VAL CA C 13 64.46 . . 1 . . . . . . . . 4879 1 144 . 1 1 14 14 VAL HA H 1 2.93 . . 1 . . . . . . . . 4879 1 145 . 1 1 14 14 VAL CB C 13 32.81 . . 1 . . . . . . . . 4879 1 146 . 1 1 14 14 VAL HB H 1 1.71 . . 1 . . . . . . . . 4879 1 147 . 1 1 14 14 VAL CG1 C 13 23.18 . . 1 . . . . . . . . 4879 1 148 . 1 1 14 14 VAL HG11 H 1 0.66 . . 2 . . . . . . . . 4879 1 149 . 1 1 14 14 VAL HG12 H 1 0.66 . . 2 . . . . . . . . 4879 1 150 . 1 1 14 14 VAL HG13 H 1 0.66 . . 2 . . . . . . . . 4879 1 151 . 1 1 14 14 VAL CG2 C 13 22.29 . . 1 . . . . . . . . 4879 1 152 . 1 1 14 14 VAL HG21 H 1 0.52 . . 2 . . . . . . . . 4879 1 153 . 1 1 14 14 VAL HG22 H 1 0.52 . . 2 . . . . . . . . 4879 1 154 . 1 1 14 14 VAL HG23 H 1 0.52 . . 2 . . . . . . . . 4879 1 155 . 1 1 14 14 VAL C C 13 176.72 . . 1 . . . . . . . . 4879 1 156 . 1 1 15 15 ALA N N 15 128.73 . . 1 . . . . . . . . 4879 1 157 . 1 1 15 15 ALA H H 1 9.31 . . 1 . . . . . . . . 4879 1 158 . 1 1 15 15 ALA CA C 13 52.59 . . 1 . . . . . . . . 4879 1 159 . 1 1 15 15 ALA HA H 1 4.41 . . 1 . . . . . . . . 4879 1 160 . 1 1 15 15 ALA CB C 13 22.02 . . 1 . . . . . . . . 4879 1 161 . 1 1 15 15 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 4879 1 162 . 1 1 15 15 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 4879 1 163 . 1 1 15 15 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 4879 1 164 . 1 1 15 15 ALA C C 13 176.96 . . 1 . . . . . . . . 4879 1 165 . 1 1 16 16 GLY N N 15 104.64 . . 1 . . . . . . . . 4879 1 166 . 1 1 16 16 GLY H H 1 7.38 . . 1 . . . . . . . . 4879 1 167 . 1 1 16 16 GLY CA C 13 45.57 . . 1 . . . . . . . . 4879 1 168 . 1 1 16 16 GLY HA2 H 1 4.03 . . 1 . . . . . . . . 4879 1 169 . 1 1 16 16 GLY HA3 H 1 4.14 . . 1 . . . . . . . . 4879 1 170 . 1 1 16 16 GLY C C 13 170.17 . . 1 . . . . . . . . 4879 1 171 . 1 1 17 17 TYR N N 15 117.85 . . 1 . . . . . . . . 4879 1 172 . 1 1 17 17 TYR H H 1 8.91 . . 1 . . . . . . . . 4879 1 173 . 1 1 17 17 TYR CA C 13 57.90 . . 1 . . . . . . . . 4879 1 174 . 1 1 17 17 TYR HA H 1 5.25 . . 1 . . . . . . . . 4879 1 175 . 1 1 17 17 TYR CB C 13 43.25 . . 1 . . . . . . . . 4879 1 176 . 1 1 17 17 TYR HB2 H 1 2.70 . . 1 . . . . . . . . 4879 1 177 . 1 1 17 17 TYR HB3 H 1 2.81 . . 1 . . . . . . . . 4879 1 178 . 1 1 17 17 TYR CD1 C 13 133.14 . . 1 . . . . . . . . 4879 1 179 . 1 1 17 17 TYR HD1 H 1 6.85 . . 1 . . . . . . . . 4879 1 180 . 1 1 17 17 TYR CD2 C 13 133.14 . . 1 . . . . . . . . 4879 1 181 . 1 1 17 17 TYR HD2 H 1 6.85 . . 1 . . . . . . . . 4879 1 182 . 1 1 17 17 TYR CE1 C 13 118.12 . . 1 . . . . . . . . 4879 1 183 . 1 1 17 17 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 4879 1 184 . 1 1 17 17 TYR CE2 C 13 118.12 . . 1 . . . . . . . . 4879 1 185 . 1 1 17 17 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 4879 1 186 . 1 1 17 17 TYR C C 13 174.37 . . 1 . . . . . . . . 4879 1 187 . 1 1 18 18 ILE N N 15 123.08 . . 1 . . . . . . . . 4879 1 188 . 1 1 18 18 ILE H H 1 9.40 . . 1 . . . . . . . . 4879 1 189 . 1 1 18 18 ILE CA C 13 57.47 . . 1 . . . . . . . . 4879 1 190 . 1 1 18 18 ILE HA H 1 5.58 . . 1 . . . . . . . . 4879 1 191 . 1 1 18 18 ILE CB C 13 42.99 . . 1 . . . . . . . . 4879 1 192 . 1 1 18 18 ILE HB H 1 1.41 . . 1 . . . . . . . . 4879 1 193 . 1 1 18 18 ILE CG1 C 13 29.01 . . 1 . . . . . . . . 4879 1 194 . 1 1 18 18 ILE HG12 H 1 0.95 . . 1 . . . . . . . . 4879 1 195 . 1 1 18 18 ILE HG13 H 1 1.37 . . 1 . . . . . . . . 4879 1 196 . 1 1 18 18 ILE CG2 C 13 17.40 . . 1 . . . . . . . . 4879 1 197 . 1 1 18 18 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 4879 1 198 . 1 1 18 18 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 4879 1 199 . 1 1 18 18 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 4879 1 200 . 1 1 18 18 ILE CD1 C 13 15.30 . . 1 . . . . . . . . 4879 1 201 . 1 1 18 18 ILE HD11 H 1 0.57 . . 1 . . . . . . . . 4879 1 202 . 1 1 18 18 ILE HD12 H 1 0.57 . . 1 . . . . . . . . 4879 1 203 . 1 1 18 18 ILE HD13 H 1 0.57 . . 1 . . . . . . . . 4879 1 204 . 1 1 18 18 ILE C C 13 172.86 . . 1 . . . . . . . . 4879 1 205 . 1 1 19 19 GLU N N 15 126.41 . . 1 . . . . . . . . 4879 1 206 . 1 1 19 19 GLU H H 1 9.25 . . 1 . . . . . . . . 4879 1 207 . 1 1 19 19 GLU CA C 13 54.78 . . 1 . . . . . . . . 4879 1 208 . 1 1 19 19 GLU HA H 1 5.43 . . 1 . . . . . . . . 4879 1 209 . 1 1 19 19 GLU CB C 13 33.99 . . 1 . . . . . . . . 4879 1 210 . 1 1 19 19 GLU HB2 H 1 2.12 . . 1 . . . . . . . . 4879 1 211 . 1 1 19 19 GLU HB3 H 1 2.12 . . 1 . . . . . . . . 4879 1 212 . 1 1 19 19 GLU CG C 13 36.47 . . 1 . . . . . . . . 4879 1 213 . 1 1 19 19 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 4879 1 214 . 1 1 19 19 GLU HG3 H 1 2.32 . . 1 . . . . . . . . 4879 1 215 . 1 1 19 19 GLU C C 13 175.91 . . 1 . . . . . . . . 4879 1 216 . 1 1 20 20 ILE N N 15 122.01 . . 1 . . . . . . . . 4879 1 217 . 1 1 20 20 ILE H H 1 8.79 . . 1 . . . . . . . . 4879 1 218 . 1 1 20 20 ILE CA C 13 58.75 . . 1 . . . . . . . . 4879 1 219 . 1 1 20 20 ILE HA H 1 4.96 . . 1 . . . . . . . . 4879 1 220 . 1 1 20 20 ILE CB C 13 39.73 . . 1 . . . . . . . . 4879 1 221 . 1 1 20 20 ILE HB H 1 1.88 . . 1 . . . . . . . . 4879 1 222 . 1 1 20 20 ILE CG1 C 13 28.28 . . 1 . . . . . . . . 4879 1 223 . 1 1 20 20 ILE HG12 H 1 0.95 . . 1 . . . . . . . . 4879 1 224 . 1 1 20 20 ILE HG13 H 1 1.44 . . 1 . . . . . . . . 4879 1 225 . 1 1 20 20 ILE CG2 C 13 18.67 . . 1 . . . . . . . . 4879 1 226 . 1 1 20 20 ILE HG21 H 1 0.72 . . 1 . . . . . . . . 4879 1 227 . 1 1 20 20 ILE HG22 H 1 0.72 . . 1 . . . . . . . . 4879 1 228 . 1 1 20 20 ILE HG23 H 1 0.72 . . 1 . . . . . . . . 4879 1 229 . 1 1 20 20 ILE CD1 C 13 15.71 . . 1 . . . . . . . . 4879 1 230 . 1 1 20 20 ILE HD11 H 1 0.44 . . 1 . . . . . . . . 4879 1 231 . 1 1 20 20 ILE HD12 H 1 0.44 . . 1 . . . . . . . . 4879 1 232 . 1 1 20 20 ILE HD13 H 1 0.44 . . 1 . . . . . . . . 4879 1 233 . 1 1 21 21 PRO CA C 13 66.40 . . 1 . . . . . . . . 4879 1 234 . 1 1 21 21 PRO HA H 1 4.55 . . 1 . . . . . . . . 4879 1 235 . 1 1 21 21 PRO CB C 13 32.15 . . 1 . . . . . . . . 4879 1 236 . 1 1 21 21 PRO HB2 H 1 2.32 . . 2 . . . . . . . . 4879 1 237 . 1 1 21 21 PRO HB3 H 1 2.52 . . 2 . . . . . . . . 4879 1 238 . 1 1 21 21 PRO CG C 13 27.52 . . 1 . . . . . . . . 4879 1 239 . 1 1 21 21 PRO HG2 H 1 2.19 . . 1 . . . . . . . . 4879 1 240 . 1 1 21 21 PRO HG3 H 1 2.19 . . 1 . . . . . . . . 4879 1 241 . 1 1 21 21 PRO CD C 13 50.84 . . 1 . . . . . . . . 4879 1 242 . 1 1 21 21 PRO HD2 H 1 3.58 . . 1 . . . . . . . . 4879 1 243 . 1 1 21 21 PRO HD3 H 1 4.21 . . 1 . . . . . . . . 4879 1 244 . 1 1 21 21 PRO C C 13 180.26 . . 1 . . . . . . . . 4879 1 245 . 1 1 22 22 ASP N N 15 118.25 . . 1 . . . . . . . . 4879 1 246 . 1 1 22 22 ASP H H 1 9.74 . . 1 . . . . . . . . 4879 1 247 . 1 1 22 22 ASP CA C 13 57.14 . . 1 . . . . . . . . 4879 1 248 . 1 1 22 22 ASP HA H 1 4.42 . . 1 . . . . . . . . 4879 1 249 . 1 1 22 22 ASP CB C 13 40.21 . . 1 . . . . . . . . 4879 1 250 . 1 1 22 22 ASP HB2 H 1 2.42 . . 1 . . . . . . . . 4879 1 251 . 1 1 22 22 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 4879 1 252 . 1 1 22 22 ASP C C 13 175.92 . . 1 . . . . . . . . 4879 1 253 . 1 1 23 23 ALA N N 15 117.71 . . 1 . . . . . . . . 4879 1 254 . 1 1 23 23 ALA H H 1 7.45 . . 1 . . . . . . . . 4879 1 255 . 1 1 23 23 ALA CA C 13 50.20 . . 1 . . . . . . . . 4879 1 256 . 1 1 23 23 ALA HA H 1 4.48 . . 1 . . . . . . . . 4879 1 257 . 1 1 23 23 ALA CB C 13 21.78 . . 1 . . . . . . . . 4879 1 258 . 1 1 23 23 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 4879 1 259 . 1 1 23 23 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 4879 1 260 . 1 1 23 23 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 4879 1 261 . 1 1 23 23 ALA C C 13 175.85 . . 1 . . . . . . . . 4879 1 262 . 1 1 24 24 ASP N N 15 119.37 . . 1 . . . . . . . . 4879 1 263 . 1 1 24 24 ASP H H 1 8.05 . . 1 . . . . . . . . 4879 1 264 . 1 1 24 24 ASP CA C 13 55.79 . . 1 . . . . . . . . 4879 1 265 . 1 1 24 24 ASP HA H 1 4.29 . . 1 . . . . . . . . 4879 1 266 . 1 1 24 24 ASP CB C 13 39.95 . . 1 . . . . . . . . 4879 1 267 . 1 1 24 24 ASP HB2 H 1 3.05 . . 1 . . . . . . . . 4879 1 268 . 1 1 24 24 ASP HB3 H 1 2.53 . . 1 . . . . . . . . 4879 1 269 . 1 1 24 24 ASP C C 13 174.61 . . 1 . . . . . . . . 4879 1 270 . 1 1 25 25 ILE N N 15 116.45 . . 1 . . . . . . . . 4879 1 271 . 1 1 25 25 ILE H H 1 7.02 . . 1 . . . . . . . . 4879 1 272 . 1 1 25 25 ILE CA C 13 61.01 . . 1 . . . . . . . . 4879 1 273 . 1 1 25 25 ILE HA H 1 4.40 . . 1 . . . . . . . . 4879 1 274 . 1 1 25 25 ILE CB C 13 40.64 . . 1 . . . . . . . . 4879 1 275 . 1 1 25 25 ILE HB H 1 1.42 . . 1 . . . . . . . . 4879 1 276 . 1 1 25 25 ILE CG1 C 13 28.11 . . 1 . . . . . . . . 4879 1 277 . 1 1 25 25 ILE HG12 H 1 1.27 . . 1 . . . . . . . . 4879 1 278 . 1 1 25 25 ILE HG13 H 1 1.70 . . 1 . . . . . . . . 4879 1 279 . 1 1 25 25 ILE CG2 C 13 16.50 . . 1 . . . . . . . . 4879 1 280 . 1 1 25 25 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4879 1 281 . 1 1 25 25 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4879 1 282 . 1 1 25 25 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4879 1 283 . 1 1 25 25 ILE CD1 C 13 15.40 . . 1 . . . . . . . . 4879 1 284 . 1 1 25 25 ILE HD11 H 1 0.65 . . 1 . . . . . . . . 4879 1 285 . 1 1 25 25 ILE HD12 H 1 0.65 . . 1 . . . . . . . . 4879 1 286 . 1 1 25 25 ILE HD13 H 1 0.65 . . 1 . . . . . . . . 4879 1 287 . 1 1 25 25 ILE C C 13 176.54 . . 1 . . . . . . . . 4879 1 288 . 1 1 26 26 LYS N N 15 133.65 . . 1 . . . . . . . . 4879 1 289 . 1 1 26 26 LYS H H 1 9.30 . . 1 . . . . . . . . 4879 1 290 . 1 1 26 26 LYS CA C 13 57.31 . . 1 . . . . . . . . 4879 1 291 . 1 1 26 26 LYS HA H 1 5.07 . . 1 . . . . . . . . 4879 1 292 . 1 1 26 26 LYS CB C 13 33.73 . . 1 . . . . . . . . 4879 1 293 . 1 1 26 26 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4879 1 294 . 1 1 26 26 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4879 1 295 . 1 1 26 26 LYS CG C 13 25.15 . . 2 . . . . . . . . 4879 1 296 . 1 1 26 26 LYS HG2 H 1 1.61 . . 2 . . . . . . . . 4879 1 297 . 1 1 26 26 LYS HG3 H 1 1.27 . . 2 . . . . . . . . 4879 1 298 . 1 1 26 26 LYS CD C 13 30.10 . . 2 . . . . . . . . 4879 1 299 . 1 1 26 26 LYS HD2 H 1 1.33 . . 2 . . . . . . . . 4879 1 300 . 1 1 26 26 LYS CE C 13 42.13 . . 1 . . . . . . . . 4879 1 301 . 1 1 26 26 LYS HE2 H 1 2.83 . . 1 . . . . . . . . 4879 1 302 . 1 1 26 26 LYS HE3 H 1 2.83 . . 1 . . . . . . . . 4879 1 303 . 1 1 26 26 LYS C C 13 175.01 . . 1 . . . . . . . . 4879 1 304 . 1 1 27 27 GLU N N 15 123.98 . . 1 . . . . . . . . 4879 1 305 . 1 1 27 27 GLU H H 1 8.88 . . 1 . . . . . . . . 4879 1 306 . 1 1 27 27 GLU CA C 13 52.84 . . 1 . . . . . . . . 4879 1 307 . 1 1 27 27 GLU HA H 1 5.22 . . 1 . . . . . . . . 4879 1 308 . 1 1 27 27 GLU CB C 13 34.52 . . 1 . . . . . . . . 4879 1 309 . 1 1 27 27 GLU HB2 H 1 1.39 . . 1 . . . . . . . . 4879 1 310 . 1 1 27 27 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4879 1 311 . 1 1 27 27 GLU CG C 13 35.39 . . 2 . . . . . . . . 4879 1 312 . 1 1 27 27 GLU HG2 H 1 1.90 . . 2 . . . . . . . . 4879 1 313 . 1 1 28 28 PRO CA C 13 62.02 . . 1 . . . . . . . . 4879 1 314 . 1 1 28 28 PRO HA H 1 4.31 . . 1 . . . . . . . . 4879 1 315 . 1 1 28 28 PRO CB C 13 32.82 . . 1 . . . . . . . . 4879 1 316 . 1 1 28 28 PRO HB2 H 1 1.49 . . 1 . . . . . . . . 4879 1 317 . 1 1 28 28 PRO HB3 H 1 1.95 . . 1 . . . . . . . . 4879 1 318 . 1 1 28 28 PRO CG C 13 27.10 . . 1 . . . . . . . . 4879 1 319 . 1 1 28 28 PRO HG2 H 1 2.22 . . 1 . . . . . . . . 4879 1 320 . 1 1 28 28 PRO HG3 H 1 2.36 . . 1 . . . . . . . . 4879 1 321 . 1 1 28 28 PRO CD C 13 51.00 . . 1 . . . . . . . . 4879 1 322 . 1 1 28 28 PRO HD2 H 1 3.89 . . 1 . . . . . . . . 4879 1 323 . 1 1 28 28 PRO HD3 H 1 4.17 . . 1 . . . . . . . . 4879 1 324 . 1 1 28 28 PRO C C 13 174.59 . . 1 . . . . . . . . 4879 1 325 . 1 1 29 29 VAL N N 15 120.42 . . 1 . . . . . . . . 4879 1 326 . 1 1 29 29 VAL H H 1 8.18 . . 1 . . . . . . . . 4879 1 327 . 1 1 29 29 VAL CA C 13 60.26 . . 1 . . . . . . . . 4879 1 328 . 1 1 29 29 VAL HA H 1 4.21 . . 1 . . . . . . . . 4879 1 329 . 1 1 29 29 VAL CB C 13 33.39 . . 1 . . . . . . . . 4879 1 330 . 1 1 29 29 VAL HB H 1 1.15 . . 1 . . . . . . . . 4879 1 331 . 1 1 29 29 VAL CG1 C 13 21.40 . . 1 . . . . . . . . 4879 1 332 . 1 1 29 29 VAL HG11 H 1 0.53 . . 2 . . . . . . . . 4879 1 333 . 1 1 29 29 VAL HG12 H 1 0.53 . . 2 . . . . . . . . 4879 1 334 . 1 1 29 29 VAL HG13 H 1 0.53 . . 2 . . . . . . . . 4879 1 335 . 1 1 29 29 VAL CG2 C 13 21.43 . . 1 . . . . . . . . 4879 1 336 . 1 1 29 29 VAL HG21 H 1 -0.06 . . 2 . . . . . . . . 4879 1 337 . 1 1 29 29 VAL HG22 H 1 -0.06 . . 2 . . . . . . . . 4879 1 338 . 1 1 29 29 VAL HG23 H 1 -0.06 . . 2 . . . . . . . . 4879 1 339 . 1 1 29 29 VAL C C 13 174.93 . . 1 . . . . . . . . 4879 1 340 . 1 1 30 30 TYR N N 15 127.80 . . 1 . . . . . . . . 4879 1 341 . 1 1 30 30 TYR H H 1 9.24 . . 1 . . . . . . . . 4879 1 342 . 1 1 30 30 TYR CA C 13 58.00 . . 1 . . . . . . . . 4879 1 343 . 1 1 30 30 TYR HA H 1 4.67 . . 1 . . . . . . . . 4879 1 344 . 1 1 30 30 TYR CB C 13 38.48 . . 1 . . . . . . . . 4879 1 345 . 1 1 30 30 TYR HB2 H 1 2.79 . . 1 . . . . . . . . 4879 1 346 . 1 1 30 30 TYR HB3 H 1 2.93 . . 1 . . . . . . . . 4879 1 347 . 1 1 30 30 TYR CD1 C 13 133.19 . . 1 . . . . . . . . 4879 1 348 . 1 1 30 30 TYR HD1 H 1 6.91 . . 1 . . . . . . . . 4879 1 349 . 1 1 30 30 TYR CD2 C 13 133.19 . . 1 . . . . . . . . 4879 1 350 . 1 1 30 30 TYR HD2 H 1 6.91 . . 1 . . . . . . . . 4879 1 351 . 1 1 30 30 TYR CE1 C 13 117.66 . . 1 . . . . . . . . 4879 1 352 . 1 1 30 30 TYR HE1 H 1 6.58 . . 1 . . . . . . . . 4879 1 353 . 1 1 30 30 TYR CE2 C 13 117.66 . . 1 . . . . . . . . 4879 1 354 . 1 1 30 30 TYR HE2 H 1 6.58 . . 1 . . . . . . . . 4879 1 355 . 1 1 31 31 PRO CA C 13 64.20 . . 1 . . . . . . . . 4879 1 356 . 1 1 31 31 PRO HA H 1 4.53 . . 1 . . . . . . . . 4879 1 357 . 1 1 31 31 PRO CB C 13 33.55 . . 1 . . . . . . . . 4879 1 358 . 1 1 31 31 PRO HB2 H 1 1.78 . . 1 . . . . . . . . 4879 1 359 . 1 1 31 31 PRO HB3 H 1 2.65 . . 1 . . . . . . . . 4879 1 360 . 1 1 31 31 PRO CG C 13 30.16 . . 1 . . . . . . . . 4879 1 361 . 1 1 31 31 PRO HG2 H 1 2.52 . . 1 . . . . . . . . 4879 1 362 . 1 1 31 31 PRO HG3 H 1 1.82 . . 1 . . . . . . . . 4879 1 363 . 1 1 31 31 PRO CD C 13 51.73 . . 1 . . . . . . . . 4879 1 364 . 1 1 31 31 PRO HD2 H 1 3.71 . . 1 . . . . . . . . 4879 1 365 . 1 1 31 31 PRO HD3 H 1 4.54 . . 1 . . . . . . . . 4879 1 366 . 1 1 31 31 PRO C C 13 174.47 . . 1 . . . . . . . . 4879 1 367 . 1 1 32 32 GLY N N 15 106.60 . . 1 . . . . . . . . 4879 1 368 . 1 1 32 32 GLY H H 1 8.65 . . 1 . . . . . . . . 4879 1 369 . 1 1 32 32 GLY CA C 13 44.55 . . 1 . . . . . . . . 4879 1 370 . 1 1 32 32 GLY HA2 H 1 3.48 . . 1 . . . . . . . . 4879 1 371 . 1 1 32 32 GLY HA3 H 1 4.28 . . 1 . . . . . . . . 4879 1 372 . 1 1 32 32 GLY C C 13 172.72 . . 1 . . . . . . . . 4879 1 373 . 1 1 33 33 PRO CA C 13 62.01 . . 1 . . . . . . . . 4879 1 374 . 1 1 33 33 PRO HA H 1 4.09 . . 1 . . . . . . . . 4879 1 375 . 1 1 33 33 PRO CB C 13 35.51 . . 1 . . . . . . . . 4879 1 376 . 1 1 33 33 PRO HB2 H 1 2.23 . . 2 . . . . . . . . 4879 1 377 . 1 1 33 33 PRO HB3 H 1 2.45 . . 2 . . . . . . . . 4879 1 378 . 1 1 33 33 PRO CG C 13 24.36 . . 1 . . . . . . . . 4879 1 379 . 1 1 33 33 PRO HG2 H 1 1.91 . . 2 . . . . . . . . 4879 1 380 . 1 1 33 33 PRO HG3 H 1 2.07 . . 2 . . . . . . . . 4879 1 381 . 1 1 33 33 PRO CD C 13 50.18 . . 2 . . . . . . . . 4879 1 382 . 1 1 33 33 PRO HD2 H 1 3.45 . . 2 . . . . . . . . 4879 1 383 . 1 1 33 33 PRO HD3 H 1 3.63 . . 2 . . . . . . . . 4879 1 384 . 1 1 33 33 PRO C C 13 176.03 . . 1 . . . . . . . . 4879 1 385 . 1 1 34 34 ALA N N 15 122.53 . . 1 . . . . . . . . 4879 1 386 . 1 1 34 34 ALA H H 1 7.41 . . 1 . . . . . . . . 4879 1 387 . 1 1 34 34 ALA CA C 13 51.67 . . 1 . . . . . . . . 4879 1 388 . 1 1 34 34 ALA HA H 1 4.36 . . 1 . . . . . . . . 4879 1 389 . 1 1 34 34 ALA CB C 13 18.10 . . 1 . . . . . . . . 4879 1 390 . 1 1 34 34 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4879 1 391 . 1 1 34 34 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4879 1 392 . 1 1 34 34 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4879 1 393 . 1 1 34 34 ALA C C 13 176.52 . . 1 . . . . . . . . 4879 1 394 . 1 1 35 35 THR N N 15 114.93 . . 1 . . . . . . . . 4879 1 395 . 1 1 35 35 THR H H 1 7.77 . . 1 . . . . . . . . 4879 1 396 . 1 1 35 35 THR CA C 13 59.67 . . 1 . . . . . . . . 4879 1 397 . 1 1 35 35 THR HA H 1 4.47 . . 1 . . . . . . . . 4879 1 398 . 1 1 35 35 THR CB C 13 68.64 . . 1 . . . . . . . . 4879 1 399 . 1 1 35 35 THR HB H 1 4.59 . . 1 . . . . . . . . 4879 1 400 . 1 1 35 35 THR CG2 C 13 22.89 . . 1 . . . . . . . . 4879 1 401 . 1 1 35 35 THR HG21 H 1 1.26 . . 1 . . . . . . . . 4879 1 402 . 1 1 35 35 THR HG22 H 1 1.26 . . 1 . . . . . . . . 4879 1 403 . 1 1 35 35 THR HG23 H 1 1.26 . . 1 . . . . . . . . 4879 1 404 . 1 1 36 36 PRO CA C 13 66.75 . . 1 . . . . . . . . 4879 1 405 . 1 1 36 36 PRO HA H 1 4.19 . . 1 . . . . . . . . 4879 1 406 . 1 1 36 36 PRO CB C 13 31.37 . . 1 . . . . . . . . 4879 1 407 . 1 1 36 36 PRO HB2 H 1 1.73 . . 1 . . . . . . . . 4879 1 408 . 1 1 36 36 PRO HB3 H 1 2.23 . . 1 . . . . . . . . 4879 1 409 . 1 1 36 36 PRO CG C 13 27.87 . . 1 . . . . . . . . 4879 1 410 . 1 1 36 36 PRO HG2 H 1 0.94 . . 1 . . . . . . . . 4879 1 411 . 1 1 36 36 PRO HG3 H 1 1.40 . . 1 . . . . . . . . 4879 1 412 . 1 1 36 36 PRO CD C 13 49.44 . . 1 . . . . . . . . 4879 1 413 . 1 1 36 36 PRO HD2 H 1 3.36 . . 1 . . . . . . . . 4879 1 414 . 1 1 36 36 PRO HD3 H 1 2.44 . . 1 . . . . . . . . 4879 1 415 . 1 1 36 36 PRO C C 13 178.69 . . 1 . . . . . . . . 4879 1 416 . 1 1 37 37 GLU N N 15 115.52 . . 1 . . . . . . . . 4879 1 417 . 1 1 37 37 GLU H H 1 8.26 . . 1 . . . . . . . . 4879 1 418 . 1 1 37 37 GLU CA C 13 59.98 . . 1 . . . . . . . . 4879 1 419 . 1 1 37 37 GLU HA H 1 3.95 . . 1 . . . . . . . . 4879 1 420 . 1 1 37 37 GLU CB C 13 29.41 . . 1 . . . . . . . . 4879 1 421 . 1 1 37 37 GLU HB2 H 1 1.86 . . 1 . . . . . . . . 4879 1 422 . 1 1 37 37 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4879 1 423 . 1 1 37 37 GLU CG C 13 36.84 . . 1 . . . . . . . . 4879 1 424 . 1 1 37 37 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4879 1 425 . 1 1 37 37 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 4879 1 426 . 1 1 37 37 GLU C C 13 178.90 . . 1 . . . . . . . . 4879 1 427 . 1 1 38 38 GLN N N 15 122.48 . . 1 . . . . . . . . 4879 1 428 . 1 1 38 38 GLN H H 1 7.65 . . 1 . . . . . . . . 4879 1 429 . 1 1 38 38 GLN CA C 13 58.09 . . 1 . . . . . . . . 4879 1 430 . 1 1 38 38 GLN HA H 1 4.46 . . 1 . . . . . . . . 4879 1 431 . 1 1 38 38 GLN CB C 13 29.20 . . 1 . . . . . . . . 4879 1 432 . 1 1 38 38 GLN HB2 H 1 2.17 . . 1 . . . . . . . . 4879 1 433 . 1 1 38 38 GLN HB3 H 1 2.17 . . 1 . . . . . . . . 4879 1 434 . 1 1 38 38 GLN CG C 13 32.35 . . 1 . . . . . . . . 4879 1 435 . 1 1 38 38 GLN HG2 H 1 2.55 . . 1 . . . . . . . . 4879 1 436 . 1 1 38 38 GLN HG3 H 1 2.91 . . 1 . . . . . . . . 4879 1 437 . 1 1 38 38 GLN NE2 N 15 113.20 . . 1 . . . . . . . . 4879 1 438 . 1 1 38 38 GLN HE21 H 1 7.47 . . 1 . . . . . . . . 4879 1 439 . 1 1 38 38 GLN HE22 H 1 8.05 . . 1 . . . . . . . . 4879 1 440 . 1 1 38 38 GLN C C 13 178.92 . . 1 . . . . . . . . 4879 1 441 . 1 1 39 39 LEU N N 15 116.96 . . 1 . . . . . . . . 4879 1 442 . 1 1 39 39 LEU H H 1 8.39 . . 1 . . . . . . . . 4879 1 443 . 1 1 39 39 LEU CA C 13 56.41 . . 1 . . . . . . . . 4879 1 444 . 1 1 39 39 LEU HA H 1 4.79 . . 1 . . . . . . . . 4879 1 445 . 1 1 39 39 LEU CB C 13 40.99 . . 1 . . . . . . . . 4879 1 446 . 1 1 39 39 LEU HB2 H 1 1.46 . . 1 . . . . . . . . 4879 1 447 . 1 1 39 39 LEU HB3 H 1 1.16 . . 1 . . . . . . . . 4879 1 448 . 1 1 39 39 LEU CG C 13 27.24 . . 1 . . . . . . . . 4879 1 449 . 1 1 39 39 LEU HG H 1 1.37 . . 1 . . . . . . . . 4879 1 450 . 1 1 39 39 LEU CD1 C 13 25.30 . . 1 . . . . . . . . 4879 1 451 . 1 1 39 39 LEU HD11 H 1 0.00 . . 2 . . . . . . . . 4879 1 452 . 1 1 39 39 LEU HD12 H 1 0.00 . . 2 . . . . . . . . 4879 1 453 . 1 1 39 39 LEU HD13 H 1 0.00 . . 2 . . . . . . . . 4879 1 454 . 1 1 39 39 LEU CD2 C 13 23.40 . . 1 . . . . . . . . 4879 1 455 . 1 1 39 39 LEU HD21 H 1 0.41 . . 2 . . . . . . . . 4879 1 456 . 1 1 39 39 LEU HD22 H 1 0.41 . . 2 . . . . . . . . 4879 1 457 . 1 1 39 39 LEU HD23 H 1 0.41 . . 2 . . . . . . . . 4879 1 458 . 1 1 39 39 LEU C C 13 178.72 . . 1 . . . . . . . . 4879 1 459 . 1 1 40 40 ASN N N 15 116.19 . . 1 . . . . . . . . 4879 1 460 . 1 1 40 40 ASN H H 1 7.45 . . 1 . . . . . . . . 4879 1 461 . 1 1 40 40 ASN CA C 13 55.41 . . 1 . . . . . . . . 4879 1 462 . 1 1 40 40 ASN HA H 1 4.64 . . 1 . . . . . . . . 4879 1 463 . 1 1 40 40 ASN CB C 13 38.67 . . 1 . . . . . . . . 4879 1 464 . 1 1 40 40 ASN HB2 H 1 2.92 . . 1 . . . . . . . . 4879 1 465 . 1 1 40 40 ASN HB3 H 1 2.79 . . 1 . . . . . . . . 4879 1 466 . 1 1 40 40 ASN ND2 N 15 112.94 . . 1 . . . . . . . . 4879 1 467 . 1 1 40 40 ASN HD21 H 1 7.55 . . 2 . . . . . . . . 4879 1 468 . 1 1 40 40 ASN HD22 H 1 6.87 . . 2 . . . . . . . . 4879 1 469 . 1 1 40 40 ASN C C 13 177.68 . . 1 . . . . . . . . 4879 1 470 . 1 1 41 41 ARG N N 15 121.48 . . 1 . . . . . . . . 4879 1 471 . 1 1 41 41 ARG H H 1 7.71 . . 1 . . . . . . . . 4879 1 472 . 1 1 41 41 ARG CA C 13 58.25 . . 1 . . . . . . . . 4879 1 473 . 1 1 41 41 ARG HA H 1 3.99 . . 1 . . . . . . . . 4879 1 474 . 1 1 41 41 ARG CB C 13 29.62 . . 1 . . . . . . . . 4879 1 475 . 1 1 41 41 ARG HB2 H 1 1.15 . . 1 . . . . . . . . 4879 1 476 . 1 1 41 41 ARG HB3 H 1 1.50 . . 1 . . . . . . . . 4879 1 477 . 1 1 41 41 ARG CG C 13 27.06 . . 1 . . . . . . . . 4879 1 478 . 1 1 41 41 ARG HG2 H 1 0.76 . . 1 . . . . . . . . 4879 1 479 . 1 1 41 41 ARG HG3 H 1 1.26 . . 1 . . . . . . . . 4879 1 480 . 1 1 41 41 ARG CD C 13 44.06 . . 1 . . . . . . . . 4879 1 481 . 1 1 41 41 ARG HD2 H 1 2.57 . . 1 . . . . . . . . 4879 1 482 . 1 1 41 41 ARG HD3 H 1 2.75 . . 1 . . . . . . . . 4879 1 483 . 1 1 41 41 ARG C C 13 176.82 . . 1 . . . . . . . . 4879 1 484 . 1 1 42 42 GLY N N 15 105.77 . . 1 . . . . . . . . 4879 1 485 . 1 1 42 42 GLY H H 1 7.69 . . 1 . . . . . . . . 4879 1 486 . 1 1 42 42 GLY CA C 13 46.20 . . 1 . . . . . . . . 4879 1 487 . 1 1 42 42 GLY HA2 H 1 4.11 . . 1 . . . . . . . . 4879 1 488 . 1 1 42 42 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 4879 1 489 . 1 1 42 42 GLY C C 13 171.23 . . 1 . . . . . . . . 4879 1 490 . 1 1 43 43 VAL N N 15 117.58 . . 1 . . . . . . . . 4879 1 491 . 1 1 43 43 VAL H H 1 8.42 . . 1 . . . . . . . . 4879 1 492 . 1 1 43 43 VAL CA C 13 63.70 . . 1 . . . . . . . . 4879 1 493 . 1 1 43 43 VAL HA H 1 3.76 . . 1 . . . . . . . . 4879 1 494 . 1 1 43 43 VAL CB C 13 29.93 . . 1 . . . . . . . . 4879 1 495 . 1 1 43 43 VAL HB H 1 1.88 . . 1 . . . . . . . . 4879 1 496 . 1 1 43 43 VAL CG1 C 13 22.37 . . 1 . . . . . . . . 4879 1 497 . 1 1 43 43 VAL HG11 H 1 0.14 . . 2 . . . . . . . . 4879 1 498 . 1 1 43 43 VAL HG12 H 1 0.14 . . 2 . . . . . . . . 4879 1 499 . 1 1 43 43 VAL HG13 H 1 0.14 . . 2 . . . . . . . . 4879 1 500 . 1 1 43 43 VAL CG2 C 13 21.14 . . 1 . . . . . . . . 4879 1 501 . 1 1 43 43 VAL HG21 H 1 0.32 . . 2 . . . . . . . . 4879 1 502 . 1 1 43 43 VAL HG22 H 1 0.32 . . 2 . . . . . . . . 4879 1 503 . 1 1 43 43 VAL HG23 H 1 0.32 . . 2 . . . . . . . . 4879 1 504 . 1 1 43 43 VAL C C 13 175.31 . . 1 . . . . . . . . 4879 1 505 . 1 1 44 44 SER N N 15 118.06 . . 1 . . . . . . . . 4879 1 506 . 1 1 44 44 SER H H 1 8.09 . . 1 . . . . . . . . 4879 1 507 . 1 1 44 44 SER CA C 13 57.84 . . 1 . . . . . . . . 4879 1 508 . 1 1 44 44 SER HA H 1 5.53 . . 1 . . . . . . . . 4879 1 509 . 1 1 44 44 SER CB C 13 68.73 . . 1 . . . . . . . . 4879 1 510 . 1 1 44 44 SER HB2 H 1 3.16 . . 1 . . . . . . . . 4879 1 511 . 1 1 44 44 SER HB3 H 1 3.60 . . 1 . . . . . . . . 4879 1 512 . 1 1 44 44 SER C C 13 173.83 . . 1 . . . . . . . . 4879 1 513 . 1 1 45 45 PHE N N 15 120.65 . . 1 . . . . . . . . 4879 1 514 . 1 1 45 45 PHE H H 1 7.89 . . 1 . . . . . . . . 4879 1 515 . 1 1 45 45 PHE CA C 13 59.46 . . 1 . . . . . . . . 4879 1 516 . 1 1 45 45 PHE HA H 1 4.85 . . 1 . . . . . . . . 4879 1 517 . 1 1 45 45 PHE CB C 13 38.30 . . 1 . . . . . . . . 4879 1 518 . 1 1 45 45 PHE HB2 H 1 2.88 . . 1 . . . . . . . . 4879 1 519 . 1 1 45 45 PHE HB3 H 1 3.36 . . 1 . . . . . . . . 4879 1 520 . 1 1 45 45 PHE CD1 C 13 132.64 . . 1 . . . . . . . . 4879 1 521 . 1 1 45 45 PHE HD1 H 1 7.36 . . 1 . . . . . . . . 4879 1 522 . 1 1 45 45 PHE CD2 C 13 132.64 . . 1 . . . . . . . . 4879 1 523 . 1 1 45 45 PHE HD2 H 1 7.36 . . 1 . . . . . . . . 4879 1 524 . 1 1 45 45 PHE CE1 C 13 130.35 . . 1 . . . . . . . . 4879 1 525 . 1 1 45 45 PHE HE1 H 1 6.86 . . 1 . . . . . . . . 4879 1 526 . 1 1 45 45 PHE CE2 C 13 130.35 . . 1 . . . . . . . . 4879 1 527 . 1 1 45 45 PHE HE2 H 1 6.86 . . 1 . . . . . . . . 4879 1 528 . 1 1 45 45 PHE C C 13 175.38 . . 1 . . . . . . . . 4879 1 529 . 1 1 46 46 ALA N N 15 121.11 . . 1 . . . . . . . . 4879 1 530 . 1 1 46 46 ALA H H 1 7.79 . . 1 . . . . . . . . 4879 1 531 . 1 1 46 46 ALA CA C 13 55.49 . . 1 . . . . . . . . 4879 1 532 . 1 1 46 46 ALA HA H 1 4.00 . . 1 . . . . . . . . 4879 1 533 . 1 1 46 46 ALA CB C 13 19.18 . . 1 . . . . . . . . 4879 1 534 . 1 1 46 46 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4879 1 535 . 1 1 46 46 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4879 1 536 . 1 1 46 46 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4879 1 537 . 1 1 46 46 ALA C C 13 179.96 . . 1 . . . . . . . . 4879 1 538 . 1 1 47 47 GLU N N 15 115.78 . . 1 . . . . . . . . 4879 1 539 . 1 1 47 47 GLU H H 1 8.96 . . 1 . . . . . . . . 4879 1 540 . 1 1 47 47 GLU CA C 13 54.73 . . 1 . . . . . . . . 4879 1 541 . 1 1 47 47 GLU HA H 1 4.71 . . 1 . . . . . . . . 4879 1 542 . 1 1 47 47 GLU CB C 13 33.70 . . 1 . . . . . . . . 4879 1 543 . 1 1 47 47 GLU HB2 H 1 1.88 . . 1 . . . . . . . . 4879 1 544 . 1 1 47 47 GLU HB3 H 1 2.29 . . 1 . . . . . . . . 4879 1 545 . 1 1 47 47 GLU CG C 13 37.72 . . 1 . . . . . . . . 4879 1 546 . 1 1 47 47 GLU C C 13 176.61 . . 1 . . . . . . . . 4879 1 547 . 1 1 48 48 GLU N N 15 122.72 . . 1 . . . . . . . . 4879 1 548 . 1 1 48 48 GLU H H 1 9.16 . . 1 . . . . . . . . 4879 1 549 . 1 1 48 48 GLU CA C 13 58.76 . . 1 . . . . . . . . 4879 1 550 . 1 1 48 48 GLU HA H 1 3.65 . . 1 . . . . . . . . 4879 1 551 . 1 1 48 48 GLU CB C 13 30.18 . . 1 . . . . . . . . 4879 1 552 . 1 1 48 48 GLU HB2 H 1 1.95 . . 1 . . . . . . . . 4879 1 553 . 1 1 48 48 GLU HB3 H 1 1.95 . . 1 . . . . . . . . 4879 1 554 . 1 1 48 48 GLU CG C 13 36.05 . . 1 . . . . . . . . 4879 1 555 . 1 1 48 48 GLU HG2 H 1 2.20 . . 1 . . . . . . . . 4879 1 556 . 1 1 48 48 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 4879 1 557 . 1 1 48 48 GLU C C 13 176.26 . . 1 . . . . . . . . 4879 1 558 . 1 1 49 49 ASN N N 15 114.81 . . 1 . . . . . . . . 4879 1 559 . 1 1 49 49 ASN H H 1 8.22 . . 1 . . . . . . . . 4879 1 560 . 1 1 49 49 ASN CA C 13 52.72 . . 1 . . . . . . . . 4879 1 561 . 1 1 49 49 ASN HA H 1 4.78 . . 1 . . . . . . . . 4879 1 562 . 1 1 49 49 ASN CB C 13 37.28 . . 1 . . . . . . . . 4879 1 563 . 1 1 49 49 ASN HB2 H 1 2.80 . . 1 . . . . . . . . 4879 1 564 . 1 1 49 49 ASN HB3 H 1 2.80 . . 1 . . . . . . . . 4879 1 565 . 1 1 49 49 ASN ND2 N 15 112.48 . . 1 . . . . . . . . 4879 1 566 . 1 1 49 49 ASN HD21 H 1 6.81 . . 2 . . . . . . . . 4879 1 567 . 1 1 49 49 ASN HD22 H 1 7.46 . . 2 . . . . . . . . 4879 1 568 . 1 1 49 49 ASN C C 13 174.53 . . 1 . . . . . . . . 4879 1 569 . 1 1 50 50 GLU N N 15 120.65 . . 1 . . . . . . . . 4879 1 570 . 1 1 50 50 GLU H H 1 6.63 . . 1 . . . . . . . . 4879 1 571 . 1 1 50 50 GLU CA C 13 55.74 . . 1 . . . . . . . . 4879 1 572 . 1 1 50 50 GLU HA H 1 4.25 . . 1 . . . . . . . . 4879 1 573 . 1 1 50 50 GLU CB C 13 29.70 . . 1 . . . . . . . . 4879 1 574 . 1 1 50 50 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4879 1 575 . 1 1 50 50 GLU HB3 H 1 1.35 . . 1 . . . . . . . . 4879 1 576 . 1 1 50 50 GLU CG C 13 36.28 . . 1 . . . . . . . . 4879 1 577 . 1 1 50 50 GLU HG2 H 1 2.07 . . 1 . . . . . . . . 4879 1 578 . 1 1 50 50 GLU HG3 H 1 1.64 . . 1 . . . . . . . . 4879 1 579 . 1 1 50 50 GLU C C 13 173.65 . . 1 . . . . . . . . 4879 1 580 . 1 1 51 51 SER N N 15 120.39 . . 1 . . . . . . . . 4879 1 581 . 1 1 51 51 SER H H 1 9.51 . . 1 . . . . . . . . 4879 1 582 . 1 1 51 51 SER CA C 13 56.08 . . 1 . . . . . . . . 4879 1 583 . 1 1 51 51 SER HA H 1 4.72 . . 1 . . . . . . . . 4879 1 584 . 1 1 51 51 SER CB C 13 65.80 . . 1 . . . . . . . . 4879 1 585 . 1 1 51 51 SER HB2 H 1 3.63 . . 1 . . . . . . . . 4879 1 586 . 1 1 51 51 SER HB3 H 1 3.79 . . 1 . . . . . . . . 4879 1 587 . 1 1 51 51 SER C C 13 174.92 . . 1 . . . . . . . . 4879 1 588 . 1 1 52 52 LEU N N 15 123.66 . . 1 . . . . . . . . 4879 1 589 . 1 1 52 52 LEU H H 1 8.72 . . 1 . . . . . . . . 4879 1 590 . 1 1 52 52 LEU CA C 13 56.29 . . 1 . . . . . . . . 4879 1 591 . 1 1 52 52 LEU HA H 1 4.28 . . 1 . . . . . . . . 4879 1 592 . 1 1 52 52 LEU CB C 13 40.30 . . 1 . . . . . . . . 4879 1 593 . 1 1 52 52 LEU HB2 H 1 1.53 . . 1 . . . . . . . . 4879 1 594 . 1 1 52 52 LEU HB3 H 1 1.81 . . 1 . . . . . . . . 4879 1 595 . 1 1 52 52 LEU CG C 13 27.10 . . 2 . . . . . . . . 4879 1 596 . 1 1 52 52 LEU HG H 1 1.68 . . 2 . . . . . . . . 4879 1 597 . 1 1 52 52 LEU CD1 C 13 22.87 . . 1 . . . . . . . . 4879 1 598 . 1 1 52 52 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4879 1 599 . 1 1 52 52 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4879 1 600 . 1 1 52 52 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4879 1 601 . 1 1 52 52 LEU CD2 C 13 25.80 . . 2 . . . . . . . . 4879 1 602 . 1 1 52 52 LEU HD21 H 1 0.74 . . 2 . . . . . . . . 4879 1 603 . 1 1 52 52 LEU HD22 H 1 0.74 . . 2 . . . . . . . . 4879 1 604 . 1 1 52 52 LEU HD23 H 1 0.74 . . 2 . . . . . . . . 4879 1 605 . 1 1 52 52 LEU C C 13 177.18 . . 1 . . . . . . . . 4879 1 606 . 1 1 53 53 ASP N N 15 119.08 . . 1 . . . . . . . . 4879 1 607 . 1 1 53 53 ASP H H 1 8.19 . . 1 . . . . . . . . 4879 1 608 . 1 1 53 53 ASP CA C 13 54.35 . . 1 . . . . . . . . 4879 1 609 . 1 1 53 53 ASP HA H 1 4.84 . . 1 . . . . . . . . 4879 1 610 . 1 1 53 53 ASP CB C 13 41.91 . . 1 . . . . . . . . 4879 1 611 . 1 1 53 53 ASP HB2 H 1 2.83 . . 1 . . . . . . . . 4879 1 612 . 1 1 53 53 ASP HB3 H 1 2.45 . . 1 . . . . . . . . 4879 1 613 . 1 1 53 53 ASP C C 13 176.01 . . 1 . . . . . . . . 4879 1 614 . 1 1 54 54 ASP N N 15 122.80 . . 1 . . . . . . . . 4879 1 615 . 1 1 54 54 ASP H H 1 7.28 . . 1 . . . . . . . . 4879 1 616 . 1 1 54 54 ASP CA C 13 55.49 . . 1 . . . . . . . . 4879 1 617 . 1 1 54 54 ASP HA H 1 4.39 . . 1 . . . . . . . . 4879 1 618 . 1 1 54 54 ASP CB C 13 40.74 . . 1 . . . . . . . . 4879 1 619 . 1 1 54 54 ASP HB2 H 1 2.83 . . 1 . . . . . . . . 4879 1 620 . 1 1 54 54 ASP HB3 H 1 3.01 . . 1 . . . . . . . . 4879 1 621 . 1 1 54 54 ASP C C 13 176.67 . . 1 . . . . . . . . 4879 1 622 . 1 1 55 55 GLN N N 15 119.58 . . 2 . . . . . . . . 4879 1 623 . 1 1 55 55 GLN H H 1 8.17 . . 2 . . . . . . . . 4879 1 624 . 1 1 55 55 GLN CA C 13 55.63 . . 2 . . . . . . . . 4879 1 625 . 1 1 55 55 GLN HA H 1 3.98 . . 2 . . . . . . . . 4879 1 626 . 1 1 55 55 GLN CB C 13 31.30 . . 1 . . . . . . . . 4879 1 627 . 1 1 55 55 GLN HB2 H 1 2.58 . . 2 . . . . . . . . 4879 1 628 . 1 1 55 55 GLN CG C 13 34.18 . . 1 . . . . . . . . 4879 1 629 . 1 1 55 55 GLN NE2 N 15 112.73 . . 1 . . . . . . . . 4879 1 630 . 1 1 55 55 GLN HE21 H 1 6.31 . . 2 . . . . . . . . 4879 1 631 . 1 1 55 55 GLN HE22 H 1 6.54 . . 2 . . . . . . . . 4879 1 632 . 1 1 55 55 GLN C C 13 175.28 . . 1 . . . . . . . . 4879 1 633 . 1 1 56 56 ASN N N 15 115.35 . . 1 . . . . . . . . 4879 1 634 . 1 1 56 56 ASN H H 1 9.16 . . 1 . . . . . . . . 4879 1 635 . 1 1 56 56 ASN CA C 13 51.22 . . 1 . . . . . . . . 4879 1 636 . 1 1 56 56 ASN HA H 1 5.06 . . 1 . . . . . . . . 4879 1 637 . 1 1 56 56 ASN CB C 13 38.39 . . 1 . . . . . . . . 4879 1 638 . 1 1 56 56 ASN HB2 H 1 2.80 . . 1 . . . . . . . . 4879 1 639 . 1 1 56 56 ASN HB3 H 1 2.85 . . 1 . . . . . . . . 4879 1 640 . 1 1 56 56 ASN ND2 N 15 107.24 . . 1 . . . . . . . . 4879 1 641 . 1 1 56 56 ASN HD21 H 1 6.14 . . 1 . . . . . . . . 4879 1 642 . 1 1 56 56 ASN HD22 H 1 6.95 . . 1 . . . . . . . . 4879 1 643 . 1 1 56 56 ASN C C 13 175.06 . . 1 . . . . . . . . 4879 1 644 . 1 1 57 57 ILE N N 15 132.68 . . 1 . . . . . . . . 4879 1 645 . 1 1 57 57 ILE H H 1 8.08 . . 1 . . . . . . . . 4879 1 646 . 1 1 57 57 ILE CA C 13 61.27 . . 1 . . . . . . . . 4879 1 647 . 1 1 57 57 ILE HA H 1 4.29 . . 1 . . . . . . . . 4879 1 648 . 1 1 57 57 ILE CB C 13 39.02 . . 1 . . . . . . . . 4879 1 649 . 1 1 57 57 ILE HB H 1 1.65 . . 1 . . . . . . . . 4879 1 650 . 1 1 57 57 ILE CG1 C 13 27.79 . . 1 . . . . . . . . 4879 1 651 . 1 1 57 57 ILE HG12 H 1 1.10 . . 1 . . . . . . . . 4879 1 652 . 1 1 57 57 ILE HG13 H 1 1.58 . . 1 . . . . . . . . 4879 1 653 . 1 1 57 57 ILE CG2 C 13 17.67 . . 1 . . . . . . . . 4879 1 654 . 1 1 57 57 ILE HG21 H 1 0.67 . . 1 . . . . . . . . 4879 1 655 . 1 1 57 57 ILE HG22 H 1 0.67 . . 1 . . . . . . . . 4879 1 656 . 1 1 57 57 ILE HG23 H 1 0.67 . . 1 . . . . . . . . 4879 1 657 . 1 1 57 57 ILE CD1 C 13 14.90 . . 1 . . . . . . . . 4879 1 658 . 1 1 57 57 ILE HD11 H 1 0.95 . . 1 . . . . . . . . 4879 1 659 . 1 1 57 57 ILE HD12 H 1 0.95 . . 1 . . . . . . . . 4879 1 660 . 1 1 57 57 ILE HD13 H 1 0.95 . . 1 . . . . . . . . 4879 1 661 . 1 1 57 57 ILE C C 13 174.36 . . 1 . . . . . . . . 4879 1 662 . 1 1 58 58 SER N N 15 123.56 . . 1 . . . . . . . . 4879 1 663 . 1 1 58 58 SER H H 1 8.37 . . 1 . . . . . . . . 4879 1 664 . 1 1 58 58 SER CA C 13 57.38 . . 1 . . . . . . . . 4879 1 665 . 1 1 58 58 SER HA H 1 5.81 . . 1 . . . . . . . . 4879 1 666 . 1 1 58 58 SER CB C 13 64.43 . . 1 . . . . . . . . 4879 1 667 . 1 1 58 58 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4879 1 668 . 1 1 58 58 SER HB3 H 1 3.49 . . 1 . . . . . . . . 4879 1 669 . 1 1 58 58 SER C C 13 174.82 . . 1 . . . . . . . . 4879 1 670 . 1 1 59 59 ILE N N 15 127.59 . . 1 . . . . . . . . 4879 1 671 . 1 1 59 59 ILE H H 1 9.19 . . 1 . . . . . . . . 4879 1 672 . 1 1 59 59 ILE CA C 13 61.77 . . 1 . . . . . . . . 4879 1 673 . 1 1 59 59 ILE HA H 1 4.24 . . 1 . . . . . . . . 4879 1 674 . 1 1 59 59 ILE CB C 13 41.98 . . 1 . . . . . . . . 4879 1 675 . 1 1 59 59 ILE HB H 1 1.39 . . 1 . . . . . . . . 4879 1 676 . 1 1 59 59 ILE CG1 C 13 27.78 . . 1 . . . . . . . . 4879 1 677 . 1 1 59 59 ILE HG12 H 1 0.48 . . 1 . . . . . . . . 4879 1 678 . 1 1 59 59 ILE HG13 H 1 1.42 . . 1 . . . . . . . . 4879 1 679 . 1 1 59 59 ILE CG2 C 13 18.84 . . 1 . . . . . . . . 4879 1 680 . 1 1 59 59 ILE HG21 H 1 0.48 . . 1 . . . . . . . . 4879 1 681 . 1 1 59 59 ILE HG22 H 1 0.48 . . 1 . . . . . . . . 4879 1 682 . 1 1 59 59 ILE HG23 H 1 0.48 . . 1 . . . . . . . . 4879 1 683 . 1 1 59 59 ILE CD1 C 13 14.36 . . 1 . . . . . . . . 4879 1 684 . 1 1 59 59 ILE HD11 H 1 0.16 . . 1 . . . . . . . . 4879 1 685 . 1 1 59 59 ILE HD12 H 1 0.16 . . 1 . . . . . . . . 4879 1 686 . 1 1 59 59 ILE HD13 H 1 0.16 . . 1 . . . . . . . . 4879 1 687 . 1 1 59 59 ILE C C 13 172.42 . . 1 . . . . . . . . 4879 1 688 . 1 1 60 60 ALA N N 15 130.79 . . 1 . . . . . . . . 4879 1 689 . 1 1 60 60 ALA H H 1 9.37 . . 1 . . . . . . . . 4879 1 690 . 1 1 60 60 ALA CA C 13 49.84 . . 1 . . . . . . . . 4879 1 691 . 1 1 60 60 ALA HA H 1 5.68 . . 1 . . . . . . . . 4879 1 692 . 1 1 60 60 ALA CB C 13 23.50 . . 1 . . . . . . . . 4879 1 693 . 1 1 60 60 ALA HB1 H 1 1.07 . . 1 . . . . . . . . 4879 1 694 . 1 1 60 60 ALA HB2 H 1 1.07 . . 1 . . . . . . . . 4879 1 695 . 1 1 60 60 ALA HB3 H 1 1.07 . . 1 . . . . . . . . 4879 1 696 . 1 1 60 60 ALA C C 13 174.47 . . 1 . . . . . . . . 4879 1 697 . 1 1 61 61 GLY N N 15 102.55 . . 1 . . . . . . . . 4879 1 698 . 1 1 61 61 GLY H H 1 8.09 . . 1 . . . . . . . . 4879 1 699 . 1 1 61 61 GLY CA C 13 44.34 . . 1 . . . . . . . . 4879 1 700 . 1 1 61 61 GLY HA2 H 1 2.55 . . 1 . . . . . . . . 4879 1 701 . 1 1 61 61 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 4879 1 702 . 1 1 61 61 GLY C C 13 171.77 . . 1 . . . . . . . . 4879 1 703 . 1 1 62 62 HIS N N 15 117.60 . . 1 . . . . . . . . 4879 1 704 . 1 1 62 62 HIS H H 1 9.09 . . 1 . . . . . . . . 4879 1 705 . 1 1 62 62 HIS CA C 13 56.66 . . 1 . . . . . . . . 4879 1 706 . 1 1 62 62 HIS HA H 1 4.47 . . 1 . . . . . . . . 4879 1 707 . 1 1 62 62 HIS CB C 13 31.97 . . 1 . . . . . . . . 4879 1 708 . 1 1 62 62 HIS HB2 H 1 2.67 . . 1 . . . . . . . . 4879 1 709 . 1 1 62 62 HIS HB3 H 1 2.47 . . 1 . . . . . . . . 4879 1 710 . 1 1 62 62 HIS CD2 C 13 122.23 . . 1 . . . . . . . . 4879 1 711 . 1 1 62 62 HIS HD2 H 1 7.14 . . 1 . . . . . . . . 4879 1 712 . 1 1 62 62 HIS C C 13 175.03 . . 1 . . . . . . . . 4879 1 713 . 1 1 63 63 THR N N 15 111.44 . . 1 . . . . . . . . 4879 1 714 . 1 1 63 63 THR H H 1 7.84 . . 1 . . . . . . . . 4879 1 715 . 1 1 63 63 THR CA C 13 59.09 . . 1 . . . . . . . . 4879 1 716 . 1 1 63 63 THR HA H 1 4.89 . . 1 . . . . . . . . 4879 1 717 . 1 1 63 63 THR CB C 13 70.66 . . 1 . . . . . . . . 4879 1 718 . 1 1 63 63 THR HB H 1 3.85 . . 1 . . . . . . . . 4879 1 719 . 1 1 63 63 THR CG2 C 13 20.72 . . 1 . . . . . . . . 4879 1 720 . 1 1 63 63 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4879 1 721 . 1 1 63 63 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4879 1 722 . 1 1 63 63 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4879 1 723 . 1 1 63 63 THR C C 13 172.79 . . 1 . . . . . . . . 4879 1 724 . 1 1 64 64 PHE N N 15 126.50 . . 1 . . . . . . . . 4879 1 725 . 1 1 64 64 PHE H H 1 8.66 . . 1 . . . . . . . . 4879 1 726 . 1 1 64 64 PHE CA C 13 55.61 . . 1 . . . . . . . . 4879 1 727 . 1 1 64 64 PHE HA H 1 5.11 . . 1 . . . . . . . . 4879 1 728 . 1 1 64 64 PHE CB C 13 42.85 . . 1 . . . . . . . . 4879 1 729 . 1 1 64 64 PHE HB2 H 1 2.79 . . 1 . . . . . . . . 4879 1 730 . 1 1 64 64 PHE HB3 H 1 3.22 . . 1 . . . . . . . . 4879 1 731 . 1 1 64 64 PHE CD1 C 13 131.33 . . 1 . . . . . . . . 4879 1 732 . 1 1 64 64 PHE HD1 H 1 7.16 . . 1 . . . . . . . . 4879 1 733 . 1 1 64 64 PHE CD2 C 13 131.33 . . 1 . . . . . . . . 4879 1 734 . 1 1 64 64 PHE HD2 H 1 7.16 . . 1 . . . . . . . . 4879 1 735 . 1 1 64 64 PHE CE1 C 13 132.40 . . 1 . . . . . . . . 4879 1 736 . 1 1 64 64 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 4879 1 737 . 1 1 64 64 PHE CE2 C 13 132.40 . . 1 . . . . . . . . 4879 1 738 . 1 1 64 64 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 4879 1 739 . 1 1 64 64 PHE C C 13 175.96 . . 1 . . . . . . . . 4879 1 740 . 1 1 65 65 ILE N N 15 122.19 . . 1 . . . . . . . . 4879 1 741 . 1 1 65 65 ILE H H 1 8.55 . . 1 . . . . . . . . 4879 1 742 . 1 1 65 65 ILE CA C 13 63.37 . . 1 . . . . . . . . 4879 1 743 . 1 1 65 65 ILE HA H 1 3.93 . . 1 . . . . . . . . 4879 1 744 . 1 1 65 65 ILE CB C 13 38.70 . . 1 . . . . . . . . 4879 1 745 . 1 1 65 65 ILE HB H 1 1.88 . . 1 . . . . . . . . 4879 1 746 . 1 1 65 65 ILE CG1 C 13 28.07 . . 1 . . . . . . . . 4879 1 747 . 1 1 65 65 ILE HG12 H 1 1.49 . . 1 . . . . . . . . 4879 1 748 . 1 1 65 65 ILE HG13 H 1 1.28 . . 1 . . . . . . . . 4879 1 749 . 1 1 65 65 ILE CG2 C 13 17.59 . . 1 . . . . . . . . 4879 1 750 . 1 1 65 65 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4879 1 751 . 1 1 65 65 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4879 1 752 . 1 1 65 65 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4879 1 753 . 1 1 65 65 ILE CD1 C 13 13.74 . . 1 . . . . . . . . 4879 1 754 . 1 1 65 65 ILE HD11 H 1 0.89 . . 1 . . . . . . . . 4879 1 755 . 1 1 65 65 ILE HD12 H 1 0.89 . . 1 . . . . . . . . 4879 1 756 . 1 1 65 65 ILE HD13 H 1 0.89 . . 1 . . . . . . . . 4879 1 757 . 1 1 65 65 ILE C C 13 176.13 . . 1 . . . . . . . . 4879 1 758 . 1 1 66 66 ASP N N 15 117.26 . . 1 . . . . . . . . 4879 1 759 . 1 1 66 66 ASP H H 1 8.29 . . 1 . . . . . . . . 4879 1 760 . 1 1 66 66 ASP CA C 13 54.15 . . 1 . . . . . . . . 4879 1 761 . 1 1 66 66 ASP HA H 1 4.59 . . 1 . . . . . . . . 4879 1 762 . 1 1 66 66 ASP CB C 13 40.54 . . 1 . . . . . . . . 4879 1 763 . 1 1 66 66 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4879 1 764 . 1 1 66 66 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 4879 1 765 . 1 1 66 66 ASP C C 13 175.73 . . 1 . . . . . . . . 4879 1 766 . 1 1 67 67 ARG N N 15 119.64 . . 1 . . . . . . . . 4879 1 767 . 1 1 67 67 ARG H H 1 7.61 . . 1 . . . . . . . . 4879 1 768 . 1 1 67 67 ARG CA C 13 53.65 . . 1 . . . . . . . . 4879 1 769 . 1 1 67 67 ARG HA H 1 4.83 . . 1 . . . . . . . . 4879 1 770 . 1 1 67 67 ARG CB C 13 32.27 . . 1 . . . . . . . . 4879 1 771 . 1 1 67 67 ARG HB2 H 1 1.68 . . 1 . . . . . . . . 4879 1 772 . 1 1 67 67 ARG HB3 H 1 1.81 . . 1 . . . . . . . . 4879 1 773 . 1 1 67 67 ARG CG C 13 25.90 . . 2 . . . . . . . . 4879 1 774 . 1 1 67 67 ARG HG2 H 1 1.36 . . 1 . . . . . . . . 4879 1 775 . 1 1 67 67 ARG HG3 H 1 1.47 . . 1 . . . . . . . . 4879 1 776 . 1 1 67 67 ARG CD C 13 44.06 . . 2 . . . . . . . . 4879 1 777 . 1 1 67 67 ARG HD2 H 1 2.52 . . 1 . . . . . . . . 4879 1 778 . 1 1 67 67 ARG HD3 H 1 2.57 . . 1 . . . . . . . . 4879 1 779 . 1 1 67 67 ARG C C 13 172.71 . . 1 . . . . . . . . 4879 1 780 . 1 1 68 68 PRO CA C 13 64.57 . . 1 . . . . . . . . 4879 1 781 . 1 1 68 68 PRO HA H 1 4.31 . . 1 . . . . . . . . 4879 1 782 . 1 1 68 68 PRO CB C 13 32.49 . . 1 . . . . . . . . 4879 1 783 . 1 1 68 68 PRO HB2 H 1 1.88 . . 1 . . . . . . . . 4879 1 784 . 1 1 68 68 PRO HB3 H 1 2.32 . . 1 . . . . . . . . 4879 1 785 . 1 1 68 68 PRO CG C 13 27.31 . . 1 . . . . . . . . 4879 1 786 . 1 1 68 68 PRO HG2 H 1 1.99 . . 1 . . . . . . . . 4879 1 787 . 1 1 68 68 PRO HG3 H 1 1.99 . . 1 . . . . . . . . 4879 1 788 . 1 1 68 68 PRO CD C 13 50.45 . . 1 . . . . . . . . 4879 1 789 . 1 1 68 68 PRO HD2 H 1 3.46 . . 1 . . . . . . . . 4879 1 790 . 1 1 68 68 PRO HD3 H 1 3.67 . . 1 . . . . . . . . 4879 1 791 . 1 1 68 68 PRO C C 13 176.88 . . 1 . . . . . . . . 4879 1 792 . 1 1 69 69 ASN N N 15 113.72 . . 1 . . . . . . . . 4879 1 793 . 1 1 69 69 ASN H H 1 8.39 . . 1 . . . . . . . . 4879 1 794 . 1 1 69 69 ASN CA C 13 53.23 . . 1 . . . . . . . . 4879 1 795 . 1 1 69 69 ASN HA H 1 4.86 . . 1 . . . . . . . . 4879 1 796 . 1 1 69 69 ASN CB C 13 38.81 . . 1 . . . . . . . . 4879 1 797 . 1 1 69 69 ASN HB2 H 1 2.79 . . 1 . . . . . . . . 4879 1 798 . 1 1 69 69 ASN HB3 H 1 3.09 . . 1 . . . . . . . . 4879 1 799 . 1 1 69 69 ASN ND2 N 15 112.66 . . 1 . . . . . . . . 4879 1 800 . 1 1 69 69 ASN HD21 H 1 6.94 . . 2 . . . . . . . . 4879 1 801 . 1 1 69 69 ASN HD22 H 1 7.66 . . 2 . . . . . . . . 4879 1 802 . 1 1 69 69 ASN C C 13 174.51 . . 1 . . . . . . . . 4879 1 803 . 1 1 70 70 TYR N N 15 121.06 . . 1 . . . . . . . . 4879 1 804 . 1 1 70 70 TYR H H 1 7.80 . . 1 . . . . . . . . 4879 1 805 . 1 1 70 70 TYR CA C 13 57.67 . . 1 . . . . . . . . 4879 1 806 . 1 1 70 70 TYR HA H 1 4.66 . . 1 . . . . . . . . 4879 1 807 . 1 1 70 70 TYR CB C 13 40.76 . . 1 . . . . . . . . 4879 1 808 . 1 1 70 70 TYR HB2 H 1 2.95 . . 2 . . . . . . . . 4879 1 809 . 1 1 70 70 TYR HB3 H 1 3.05 . . 2 . . . . . . . . 4879 1 810 . 1 1 70 70 TYR CD1 C 13 133.25 . . 1 . . . . . . . . 4879 1 811 . 1 1 70 70 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 4879 1 812 . 1 1 70 70 TYR CD2 C 13 133.25 . . 1 . . . . . . . . 4879 1 813 . 1 1 70 70 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 4879 1 814 . 1 1 70 70 TYR CE1 C 13 118.72 . . 1 . . . . . . . . 4879 1 815 . 1 1 70 70 TYR HE1 H 1 6.67 . . 1 . . . . . . . . 4879 1 816 . 1 1 70 70 TYR CE2 C 13 118.72 . . 1 . . . . . . . . 4879 1 817 . 1 1 70 70 TYR HE2 H 1 6.67 . . 1 . . . . . . . . 4879 1 818 . 1 1 70 70 TYR C C 13 175.38 . . 1 . . . . . . . . 4879 1 819 . 1 1 71 71 GLN N N 15 127.53 . . 1 . . . . . . . . 4879 1 820 . 1 1 71 71 GLN H H 1 9.20 . . 1 . . . . . . . . 4879 1 821 . 1 1 71 71 GLN CA C 13 59.26 . . 1 . . . . . . . . 4879 1 822 . 1 1 71 71 GLN HA H 1 3.00 . . 2 . . . . . . . . 4879 1 823 . 1 1 71 71 GLN CB C 13 26.68 . . 1 . . . . . . . . 4879 1 824 . 1 1 71 71 GLN HB2 H 1 1.35 . . 1 . . . . . . . . 4879 1 825 . 1 1 71 71 GLN HB3 H 1 1.59 . . 1 . . . . . . . . 4879 1 826 . 1 1 71 71 GLN CG C 13 33.84 . . 1 . . . . . . . . 4879 1 827 . 1 1 71 71 GLN HG2 H 1 1.18 . . 1 . . . . . . . . 4879 1 828 . 1 1 71 71 GLN HG3 H 1 1.63 . . 1 . . . . . . . . 4879 1 829 . 1 1 71 71 GLN NE2 N 15 107.65 . . 1 . . . . . . . . 4879 1 830 . 1 1 71 71 GLN HE21 H 1 6.71 . . 1 . . . . . . . . 4879 1 831 . 1 1 71 71 GLN HE22 H 1 7.49 . . 1 . . . . . . . . 4879 1 832 . 1 1 71 71 GLN C C 13 175.45 . . 1 . . . . . . . . 4879 1 833 . 1 1 72 72 PHE N N 15 121.09 . . 1 . . . . . . . . 4879 1 834 . 1 1 72 72 PHE H H 1 8.13 . . 1 . . . . . . . . 4879 1 835 . 1 1 72 72 PHE CA C 13 52.72 . . 2 . . . . . . . . 4879 1 836 . 1 1 72 72 PHE HA H 1 5.06 . . 1 . . . . . . . . 4879 1 837 . 1 1 72 72 PHE CB C 13 38.16 . . 1 . . . . . . . . 4879 1 838 . 1 1 72 72 PHE HB2 H 1 2.57 . . 1 . . . . . . . . 4879 1 839 . 1 1 72 72 PHE HB3 H 1 3.51 . . 1 . . . . . . . . 4879 1 840 . 1 1 72 72 PHE CD1 C 13 128.82 . . 1 . . . . . . . . 4879 1 841 . 1 1 72 72 PHE HD1 H 1 6.80 . . 1 . . . . . . . . 4879 1 842 . 1 1 72 72 PHE CD2 C 13 128.82 . . 1 . . . . . . . . 4879 1 843 . 1 1 72 72 PHE HD2 H 1 6.80 . . 1 . . . . . . . . 4879 1 844 . 1 1 72 72 PHE CE1 C 13 130.64 . . 1 . . . . . . . . 4879 1 845 . 1 1 72 72 PHE HE1 H 1 6.92 . . 1 . . . . . . . . 4879 1 846 . 1 1 72 72 PHE CE2 C 13 130.64 . . 1 . . . . . . . . 4879 1 847 . 1 1 72 72 PHE HE2 H 1 6.92 . . 1 . . . . . . . . 4879 1 848 . 1 1 72 72 PHE C C 13 176.55 . . 1 . . . . . . . . 4879 1 849 . 1 1 73 73 THR N N 15 122.31 . . 1 . . . . . . . . 4879 1 850 . 1 1 73 73 THR H H 1 8.82 . . 1 . . . . . . . . 4879 1 851 . 1 1 73 73 THR CA C 13 68.02 . . 1 . . . . . . . . 4879 1 852 . 1 1 73 73 THR HA H 1 4.17 . . 1 . . . . . . . . 4879 1 853 . 1 1 73 73 THR CB C 13 69.57 . . 1 . . . . . . . . 4879 1 854 . 1 1 73 73 THR HB H 1 4.18 . . 2 . . . . . . . . 4879 1 855 . 1 1 73 73 THR CG2 C 13 22.81 . . 1 . . . . . . . . 4879 1 856 . 1 1 73 73 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4879 1 857 . 1 1 73 73 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4879 1 858 . 1 1 73 73 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4879 1 859 . 1 1 73 73 THR C C 13 175.71 . . 1 . . . . . . . . 4879 1 860 . 1 1 74 74 ASN N N 15 117.22 . . 1 . . . . . . . . 4879 1 861 . 1 1 74 74 ASN H H 1 9.70 . . 1 . . . . . . . . 4879 1 862 . 1 1 74 74 ASN CA C 13 52.72 . . 1 . . . . . . . . 4879 1 863 . 1 1 74 74 ASN HA H 1 5.03 . . 1 . . . . . . . . 4879 1 864 . 1 1 74 74 ASN CB C 13 39.68 . . 1 . . . . . . . . 4879 1 865 . 1 1 74 74 ASN HB2 H 1 2.73 . . 1 . . . . . . . . 4879 1 866 . 1 1 74 74 ASN HB3 H 1 2.92 . . 1 . . . . . . . . 4879 1 867 . 1 1 74 74 ASN ND2 N 15 112.04 . . 1 . . . . . . . . 4879 1 868 . 1 1 74 74 ASN HD21 H 1 6.89 . . 2 . . . . . . . . 4879 1 869 . 1 1 74 74 ASN HD22 H 1 7.40 . . 2 . . . . . . . . 4879 1 870 . 1 1 74 74 ASN C C 13 176.69 . . 1 . . . . . . . . 4879 1 871 . 1 1 75 75 LEU N N 15 122.31 . . 1 . . . . . . . . 4879 1 872 . 1 1 75 75 LEU H H 1 7.51 . . 1 . . . . . . . . 4879 1 873 . 1 1 75 75 LEU CA C 13 57.58 . . 1 . . . . . . . . 4879 1 874 . 1 1 75 75 LEU HA H 1 3.44 . . 1 . . . . . . . . 4879 1 875 . 1 1 75 75 LEU CB C 13 40.97 . . 1 . . . . . . . . 4879 1 876 . 1 1 75 75 LEU HB2 H 1 0.61 . . 1 . . . . . . . . 4879 1 877 . 1 1 75 75 LEU HB3 H 1 0.87 . . 1 . . . . . . . . 4879 1 878 . 1 1 75 75 LEU CG C 13 25.84 . . 1 . . . . . . . . 4879 1 879 . 1 1 75 75 LEU HG H 1 0.00 . . 1 . . . . . . . . 4879 1 880 . 1 1 75 75 LEU CD1 C 13 23.74 . . 1 . . . . . . . . 4879 1 881 . 1 1 75 75 LEU HD11 H 1 -0.17 . . 2 . . . . . . . . 4879 1 882 . 1 1 75 75 LEU HD12 H 1 -0.17 . . 2 . . . . . . . . 4879 1 883 . 1 1 75 75 LEU HD13 H 1 -0.17 . . 2 . . . . . . . . 4879 1 884 . 1 1 75 75 LEU CD2 C 13 25.52 . . 1 . . . . . . . . 4879 1 885 . 1 1 75 75 LEU HD21 H 1 -0.50 . . 2 . . . . . . . . 4879 1 886 . 1 1 75 75 LEU HD22 H 1 -0.50 . . 2 . . . . . . . . 4879 1 887 . 1 1 75 75 LEU HD23 H 1 -0.50 . . 2 . . . . . . . . 4879 1 888 . 1 1 75 75 LEU C C 13 176.09 . . 1 . . . . . . . . 4879 1 889 . 1 1 76 76 LYS N N 15 112.62 . . 1 . . . . . . . . 4879 1 890 . 1 1 76 76 LYS H H 1 7.43 . . 1 . . . . . . . . 4879 1 891 . 1 1 76 76 LYS CA C 13 57.77 . . 1 . . . . . . . . 4879 1 892 . 1 1 76 76 LYS HA H 1 4.25 . . 1 . . . . . . . . 4879 1 893 . 1 1 76 76 LYS CB C 13 31.55 . . 1 . . . . . . . . 4879 1 894 . 1 1 76 76 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4879 1 895 . 1 1 76 76 LYS HB3 H 1 2.04 . . 1 . . . . . . . . 4879 1 896 . 1 1 76 76 LYS CG C 13 23.60 . . 1 . . . . . . . . 4879 1 897 . 1 1 76 76 LYS HG2 H 1 1.34 . . 1 . . . . . . . . 4879 1 898 . 1 1 76 76 LYS HG3 H 1 1.51 . . 1 . . . . . . . . 4879 1 899 . 1 1 76 76 LYS CD C 13 29.76 . . 1 . . . . . . . . 4879 1 900 . 1 1 76 76 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4879 1 901 . 1 1 76 76 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 4879 1 902 . 1 1 76 76 LYS CE C 13 42.45 . . 1 . . . . . . . . 4879 1 903 . 1 1 76 76 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 4879 1 904 . 1 1 76 76 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4879 1 905 . 1 1 76 76 LYS C C 13 175.78 . . 2 . . . . . . . . 4879 1 906 . 1 1 77 77 ALA N N 15 123.66 . . 1 . . . . . . . . 4879 1 907 . 1 1 77 77 ALA H H 1 7.79 . . 1 . . . . . . . . 4879 1 908 . 1 1 77 77 ALA CA C 13 53.23 . . 1 . . . . . . . . 4879 1 909 . 1 1 77 77 ALA HA H 1 4.21 . . 1 . . . . . . . . 4879 1 910 . 1 1 77 77 ALA CB C 13 19.37 . . 1 . . . . . . . . 4879 1 911 . 1 1 77 77 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4879 1 912 . 1 1 77 77 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4879 1 913 . 1 1 77 77 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4879 1 914 . 1 1 77 77 ALA C C 13 178.48 . . 1 . . . . . . . . 4879 1 915 . 1 1 78 78 ALA N N 15 120.57 . . 1 . . . . . . . . 4879 1 916 . 1 1 78 78 ALA H H 1 7.99 . . 1 . . . . . . . . 4879 1 917 . 1 1 78 78 ALA CA C 13 52.05 . . 1 . . . . . . . . 4879 1 918 . 1 1 78 78 ALA HA H 1 4.07 . . 1 . . . . . . . . 4879 1 919 . 1 1 78 78 ALA CB C 13 19.12 . . 1 . . . . . . . . 4879 1 920 . 1 1 78 78 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4879 1 921 . 1 1 78 78 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4879 1 922 . 1 1 78 78 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4879 1 923 . 1 1 78 78 ALA C C 13 174.78 . . 1 . . . . . . . . 4879 1 924 . 1 1 79 79 LYS N N 15 118.11 . . 1 . . . . . . . . 4879 1 925 . 1 1 79 79 LYS H H 1 8.30 . . 1 . . . . . . . . 4879 1 926 . 1 1 79 79 LYS CA C 13 54.31 . . 1 . . . . . . . . 4879 1 927 . 1 1 79 79 LYS HA H 1 4.55 . . 1 . . . . . . . . 4879 1 928 . 1 1 79 79 LYS CB C 13 35.55 . . 1 . . . . . . . . 4879 1 929 . 1 1 79 79 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 4879 1 930 . 1 1 79 79 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 4879 1 931 . 1 1 79 79 LYS CG C 13 24.08 . . 1 . . . . . . . . 4879 1 932 . 1 1 79 79 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 4879 1 933 . 1 1 79 79 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 4879 1 934 . 1 1 79 79 LYS CD C 13 29.41 . . 1 . . . . . . . . 4879 1 935 . 1 1 79 79 LYS HD2 H 1 1.66 . . 2 . . . . . . . . 4879 1 936 . 1 1 79 79 LYS CE C 13 41.91 . . 1 . . . . . . . . 4879 1 937 . 1 1 79 79 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4879 1 938 . 1 1 79 79 LYS C C 13 176.56 . . 1 . . . . . . . . 4879 1 939 . 1 1 80 80 LYS N N 15 120.90 . . 1 . . . . . . . . 4879 1 940 . 1 1 80 80 LYS H H 1 8.46 . . 1 . . . . . . . . 4879 1 941 . 1 1 80 80 LYS CA C 13 59.70 . . 1 . . . . . . . . 4879 1 942 . 1 1 80 80 LYS HA H 1 3.60 . . 1 . . . . . . . . 4879 1 943 . 1 1 80 80 LYS CB C 13 31.52 . . 1 . . . . . . . . 4879 1 944 . 1 1 80 80 LYS HB2 H 1 1.70 . . 1 . . . . . . . . 4879 1 945 . 1 1 80 80 LYS HB3 H 1 1.70 . . 1 . . . . . . . . 4879 1 946 . 1 1 80 80 LYS CG C 13 25.69 . . 1 . . . . . . . . 4879 1 947 . 1 1 80 80 LYS HG2 H 1 1.21 . . 1 . . . . . . . . 4879 1 948 . 1 1 80 80 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4879 1 949 . 1 1 80 80 LYS CD C 13 29.76 . . 1 . . . . . . . . 4879 1 950 . 1 1 80 80 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 4879 1 951 . 1 1 80 80 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 4879 1 952 . 1 1 80 80 LYS CE C 13 42.05 . . 1 . . . . . . . . 4879 1 953 . 1 1 80 80 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 4879 1 954 . 1 1 80 80 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 4879 1 955 . 1 1 80 80 LYS C C 13 177.71 . . 1 . . . . . . . . 4879 1 956 . 1 1 81 81 GLY N N 15 115.07 . . 1 . . . . . . . . 4879 1 957 . 1 1 81 81 GLY H H 1 9.15 . . 1 . . . . . . . . 4879 1 958 . 1 1 81 81 GLY CA C 13 45.27 . . 1 . . . . . . . . 4879 1 959 . 1 1 81 81 GLY HA2 H 1 3.42 . . 1 . . . . . . . . 4879 1 960 . 1 1 81 81 GLY HA3 H 1 4.54 . . 1 . . . . . . . . 4879 1 961 . 1 1 81 81 GLY C C 13 174.53 . . 1 . . . . . . . . 4879 1 962 . 1 1 82 82 SER N N 15 119.06 . . 1 . . . . . . . . 4879 1 963 . 1 1 82 82 SER H H 1 8.52 . . 1 . . . . . . . . 4879 1 964 . 1 1 82 82 SER CA C 13 62.02 . . 1 . . . . . . . . 4879 1 965 . 1 1 82 82 SER HA H 1 4.26 . . 1 . . . . . . . . 4879 1 966 . 1 1 82 82 SER CB C 13 63.70 . . 1 . . . . . . . . 4879 1 967 . 1 1 82 82 SER HB2 H 1 3.87 . . 1 . . . . . . . . 4879 1 968 . 1 1 82 82 SER HB3 H 1 4.04 . . 1 . . . . . . . . 4879 1 969 . 1 1 82 82 SER C C 13 173.99 . . 1 . . . . . . . . 4879 1 970 . 1 1 83 83 MET N N 15 122.12 . . 1 . . . . . . . . 4879 1 971 . 1 1 83 83 MET H H 1 8.41 . . 1 . . . . . . . . 4879 1 972 . 1 1 83 83 MET CA C 13 54.15 . . 1 . . . . . . . . 4879 1 973 . 1 1 83 83 MET HA H 1 5.08 . . 1 . . . . . . . . 4879 1 974 . 1 1 83 83 MET CB C 13 32.27 . . 1 . . . . . . . . 4879 1 975 . 1 1 83 83 MET HB2 H 1 1.97 . . 1 . . . . . . . . 4879 1 976 . 1 1 83 83 MET HB3 H 1 1.61 . . 1 . . . . . . . . 4879 1 977 . 1 1 83 83 MET CG C 13 32.30 . . 1 . . . . . . . . 4879 1 978 . 1 1 83 83 MET HG2 H 1 2.59 . . 1 . . . . . . . . 4879 1 979 . 1 1 83 83 MET HG3 H 1 2.75 . . 1 . . . . . . . . 4879 1 980 . 1 1 83 83 MET CE C 13 15.64 . . 1 . . . . . . . . 4879 1 981 . 1 1 83 83 MET HE1 H 1 1.87 . . 1 . . . . . . . . 4879 1 982 . 1 1 83 83 MET HE2 H 1 1.87 . . 1 . . . . . . . . 4879 1 983 . 1 1 83 83 MET HE3 H 1 1.87 . . 1 . . . . . . . . 4879 1 984 . 1 1 83 83 MET C C 13 176.20 . . 1 . . . . . . . . 4879 1 985 . 1 1 84 84 VAL N N 15 121.38 . . 1 . . . . . . . . 4879 1 986 . 1 1 84 84 VAL H H 1 8.74 . . 1 . . . . . . . . 4879 1 987 . 1 1 84 84 VAL CA C 13 60.85 . . 1 . . . . . . . . 4879 1 988 . 1 1 84 84 VAL HA H 1 4.41 . . 1 . . . . . . . . 4879 1 989 . 1 1 84 84 VAL CB C 13 35.21 . . 1 . . . . . . . . 4879 1 990 . 1 1 84 84 VAL HB H 1 1.69 . . 1 . . . . . . . . 4879 1 991 . 1 1 84 84 VAL CG1 C 13 20.78 . . 1 . . . . . . . . 4879 1 992 . 1 1 84 84 VAL HG11 H 1 0.64 . . 1 . . . . . . . . 4879 1 993 . 1 1 84 84 VAL HG12 H 1 0.64 . . 1 . . . . . . . . 4879 1 994 . 1 1 84 84 VAL HG13 H 1 0.64 . . 1 . . . . . . . . 4879 1 995 . 1 1 84 84 VAL CG2 C 13 21.91 . . 1 . . . . . . . . 4879 1 996 . 1 1 84 84 VAL HG21 H 1 0.64 . . 1 . . . . . . . . 4879 1 997 . 1 1 84 84 VAL HG22 H 1 0.64 . . 1 . . . . . . . . 4879 1 998 . 1 1 84 84 VAL HG23 H 1 0.64 . . 1 . . . . . . . . 4879 1 999 . 1 1 84 84 VAL C C 13 173.73 . . 1 . . . . . . . . 4879 1 1000 . 1 1 85 85 TYR N N 15 123.83 . . 1 . . . . . . . . 4879 1 1001 . 1 1 85 85 TYR H H 1 9.20 . . 1 . . . . . . . . 4879 1 1002 . 1 1 85 85 TYR CA C 13 56.16 . . 1 . . . . . . . . 4879 1 1003 . 1 1 85 85 TYR HA H 1 5.61 . . 1 . . . . . . . . 4879 1 1004 . 1 1 85 85 TYR CB C 13 40.74 . . 1 . . . . . . . . 4879 1 1005 . 1 1 85 85 TYR HB2 H 1 3.01 . . 1 . . . . . . . . 4879 1 1006 . 1 1 85 85 TYR HB3 H 1 2.87 . . 1 . . . . . . . . 4879 1 1007 . 1 1 85 85 TYR CD1 C 13 133.21 . . 1 . . . . . . . . 4879 1 1008 . 1 1 85 85 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 4879 1 1009 . 1 1 85 85 TYR CD2 C 13 133.21 . . 1 . . . . . . . . 4879 1 1010 . 1 1 85 85 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 4879 1 1011 . 1 1 85 85 TYR CE1 C 13 117.37 . . 1 . . . . . . . . 4879 1 1012 . 1 1 85 85 TYR HE1 H 1 6.66 . . 1 . . . . . . . . 4879 1 1013 . 1 1 85 85 TYR CE2 C 13 117.37 . . 1 . . . . . . . . 4879 1 1014 . 1 1 85 85 TYR HE2 H 1 6.66 . . 1 . . . . . . . . 4879 1 1015 . 1 1 85 85 TYR C C 13 174.79 . . 1 . . . . . . . . 4879 1 1016 . 1 1 86 86 PHE N N 15 125.62 . . 1 . . . . . . . . 4879 1 1017 . 1 1 86 86 PHE H H 1 9.60 . . 1 . . . . . . . . 4879 1 1018 . 1 1 86 86 PHE CA C 13 53.98 . . 1 . . . . . . . . 4879 1 1019 . 1 1 86 86 PHE HA H 1 5.96 . . 1 . . . . . . . . 4879 1 1020 . 1 1 86 86 PHE CB C 13 43.00 . . 1 . . . . . . . . 4879 1 1021 . 1 1 86 86 PHE HB2 H 1 2.89 . . 1 . . . . . . . . 4879 1 1022 . 1 1 86 86 PHE HB3 H 1 3.50 . . 1 . . . . . . . . 4879 1 1023 . 1 1 86 86 PHE CD1 C 13 131.46 . . 1 . . . . . . . . 4879 1 1024 . 1 1 86 86 PHE HD1 H 1 7.16 . . 1 . . . . . . . . 4879 1 1025 . 1 1 86 86 PHE CD2 C 13 131.46 . . 1 . . . . . . . . 4879 1 1026 . 1 1 86 86 PHE HD2 H 1 7.16 . . 1 . . . . . . . . 4879 1 1027 . 1 1 86 86 PHE CE1 C 13 131.46 . . 1 . . . . . . . . 4879 1 1028 . 1 1 86 86 PHE HE1 H 1 6.96 . . 1 . . . . . . . . 4879 1 1029 . 1 1 86 86 PHE CE2 C 13 131.46 . . 1 . . . . . . . . 4879 1 1030 . 1 1 86 86 PHE HE2 H 1 6.96 . . 1 . . . . . . . . 4879 1 1031 . 1 1 86 86 PHE C C 13 173.53 . . 1 . . . . . . . . 4879 1 1032 . 1 1 87 87 LYS N N 15 130.34 . . 1 . . . . . . . . 4879 1 1033 . 1 1 87 87 LYS H H 1 9.37 . . 1 . . . . . . . . 4879 1 1034 . 1 1 87 87 LYS CA C 13 55.49 . . 1 . . . . . . . . 4879 1 1035 . 1 1 87 87 LYS HA H 1 5.15 . . 1 . . . . . . . . 4879 1 1036 . 1 1 87 87 LYS CB C 13 34.37 . . 1 . . . . . . . . 4879 1 1037 . 1 1 87 87 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4879 1 1038 . 1 1 87 87 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 4879 1 1039 . 1 1 87 87 LYS CG C 13 25.13 . . 2 . . . . . . . . 4879 1 1040 . 1 1 87 87 LYS HG2 H 1 1.31 . . 2 . . . . . . . . 4879 1 1041 . 1 1 87 87 LYS HG3 H 1 1.42 . . 2 . . . . . . . . 4879 1 1042 . 1 1 87 87 LYS CD C 13 29.97 . . 2 . . . . . . . . 4879 1 1043 . 1 1 87 87 LYS HD2 H 1 1.72 . . 2 . . . . . . . . 4879 1 1044 . 1 1 87 87 LYS CE C 13 42.52 . . 1 . . . . . . . . 4879 1 1045 . 1 1 87 87 LYS HE2 H 1 2.95 . . 2 . . . . . . . . 4879 1 1046 . 1 1 87 87 LYS HE3 H 1 3.03 . . 2 . . . . . . . . 4879 1 1047 . 1 1 87 87 LYS C C 13 175.04 . . 1 . . . . . . . . 4879 1 1048 . 1 1 88 88 VAL N N 15 121.81 . . 1 . . . . . . . . 4879 1 1049 . 1 1 88 88 VAL H H 1 8.05 . . 1 . . . . . . . . 4879 1 1050 . 1 1 88 88 VAL CA C 13 59.85 . . 1 . . . . . . . . 4879 1 1051 . 1 1 88 88 VAL HA H 1 4.34 . . 1 . . . . . . . . 4879 1 1052 . 1 1 88 88 VAL CB C 13 33.87 . . 1 . . . . . . . . 4879 1 1053 . 1 1 88 88 VAL HB H 1 1.63 . . 1 . . . . . . . . 4879 1 1054 . 1 1 88 88 VAL CG1 C 13 19.60 . . 1 . . . . . . . . 4879 1 1055 . 1 1 88 88 VAL HG11 H 1 0.56 . . 2 . . . . . . . . 4879 1 1056 . 1 1 88 88 VAL HG12 H 1 0.56 . . 2 . . . . . . . . 4879 1 1057 . 1 1 88 88 VAL HG13 H 1 0.56 . . 2 . . . . . . . . 4879 1 1058 . 1 1 88 88 VAL CG2 C 13 21.37 . . 1 . . . . . . . . 4879 1 1059 . 1 1 88 88 VAL HG21 H 1 0.50 . . 2 . . . . . . . . 4879 1 1060 . 1 1 88 88 VAL HG22 H 1 0.50 . . 2 . . . . . . . . 4879 1 1061 . 1 1 88 88 VAL HG23 H 1 0.50 . . 2 . . . . . . . . 4879 1 1062 . 1 1 88 88 VAL C C 13 175.77 . . 1 . . . . . . . . 4879 1 1063 . 1 1 89 89 GLY N N 15 116.08 . . 1 . . . . . . . . 4879 1 1064 . 1 1 89 89 GLY H H 1 8.99 . . 1 . . . . . . . . 4879 1 1065 . 1 1 89 89 GLY CA C 13 47.28 . . 1 . . . . . . . . 4879 1 1066 . 1 1 89 89 GLY HA2 H 1 3.69 . . 1 . . . . . . . . 4879 1 1067 . 1 1 89 89 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4879 1 1068 . 1 1 89 89 GLY C C 13 175.14 . . 1 . . . . . . . . 4879 1 1069 . 1 1 90 90 ASN N N 15 124.89 . . 1 . . . . . . . . 4879 1 1070 . 1 1 90 90 ASN H H 1 8.90 . . 1 . . . . . . . . 4879 1 1071 . 1 1 90 90 ASN CA C 13 53.56 . . 1 . . . . . . . . 4879 1 1072 . 1 1 90 90 ASN HA H 1 4.79 . . 1 . . . . . . . . 4879 1 1073 . 1 1 90 90 ASN CB C 13 38.73 . . 1 . . . . . . . . 4879 1 1074 . 1 1 90 90 ASN HB2 H 1 2.79 . . 1 . . . . . . . . 4879 1 1075 . 1 1 90 90 ASN HB3 H 1 2.93 . . 1 . . . . . . . . 4879 1 1076 . 1 1 90 90 ASN ND2 N 15 112.56 . . 1 . . . . . . . . 4879 1 1077 . 1 1 90 90 ASN HD21 H 1 6.84 . . 2 . . . . . . . . 4879 1 1078 . 1 1 90 90 ASN HD22 H 1 7.50 . . 2 . . . . . . . . 4879 1 1079 . 1 1 90 90 ASN C C 13 174.96 . . 1 . . . . . . . . 4879 1 1080 . 1 1 91 91 GLU N N 15 121.44 . . 1 . . . . . . . . 4879 1 1081 . 1 1 91 91 GLU H H 1 8.38 . . 1 . . . . . . . . 4879 1 1082 . 1 1 91 91 GLU CA C 13 55.99 . . 1 . . . . . . . . 4879 1 1083 . 1 1 91 91 GLU HA H 1 4.60 . . 1 . . . . . . . . 4879 1 1084 . 1 1 91 91 GLU CB C 13 32.44 . . 1 . . . . . . . . 4879 1 1085 . 1 1 91 91 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 4879 1 1086 . 1 1 91 91 GLU CG C 13 36.56 . . 1 . . . . . . . . 4879 1 1087 . 1 1 91 91 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 4879 1 1088 . 1 1 91 91 GLU HG3 H 1 2.21 . . 2 . . . . . . . . 4879 1 1089 . 1 1 91 91 GLU C C 13 175.74 . . 1 . . . . . . . . 4879 1 1090 . 1 1 92 92 THR N N 15 120.57 . . 1 . . . . . . . . 4879 1 1091 . 1 1 92 92 THR H H 1 8.64 . . 1 . . . . . . . . 4879 1 1092 . 1 1 92 92 THR CA C 13 62.86 . . 1 . . . . . . . . 4879 1 1093 . 1 1 92 92 THR HA H 1 4.66 . . 1 . . . . . . . . 4879 1 1094 . 1 1 92 92 THR CB C 13 69.90 . . 1 . . . . . . . . 4879 1 1095 . 1 1 92 92 THR HB H 1 4.00 . . 1 . . . . . . . . 4879 1 1096 . 1 1 92 92 THR CG2 C 13 22.10 . . 1 . . . . . . . . 4879 1 1097 . 1 1 92 92 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4879 1 1098 . 1 1 92 92 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4879 1 1099 . 1 1 92 92 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4879 1 1100 . 1 1 92 92 THR C C 13 174.15 . . 1 . . . . . . . . 4879 1 1101 . 1 1 93 93 ARG N N 15 129.18 . . 1 . . . . . . . . 4879 1 1102 . 1 1 93 93 ARG H H 1 9.33 . . 1 . . . . . . . . 4879 1 1103 . 1 1 93 93 ARG CA C 13 56.33 . . 1 . . . . . . . . 4879 1 1104 . 1 1 93 93 ARG HA H 1 4.53 . . 1 . . . . . . . . 4879 1 1105 . 1 1 93 93 ARG CB C 13 32.61 . . 1 . . . . . . . . 4879 1 1106 . 1 1 93 93 ARG HB2 H 1 2.29 . . 1 . . . . . . . . 4879 1 1107 . 1 1 93 93 ARG HB3 H 1 1.94 . . 1 . . . . . . . . 4879 1 1108 . 1 1 93 93 ARG CG C 13 28.01 . . 1 . . . . . . . . 4879 1 1109 . 1 1 93 93 ARG HG2 H 1 1.72 . . 1 . . . . . . . . 4879 1 1110 . 1 1 93 93 ARG HG3 H 1 1.72 . . 1 . . . . . . . . 4879 1 1111 . 1 1 93 93 ARG CD C 13 44.55 . . 1 . . . . . . . . 4879 1 1112 . 1 1 93 93 ARG HD2 H 1 3.14 . . 2 . . . . . . . . 4879 1 1113 . 1 1 93 93 ARG HD3 H 1 3.36 . . 2 . . . . . . . . 4879 1 1114 . 1 1 93 93 ARG C C 13 174.53 . . 1 . . . . . . . . 4879 1 1115 . 1 1 94 94 LYS N N 15 122.34 . . 1 . . . . . . . . 4879 1 1116 . 1 1 94 94 LYS H H 1 8.35 . . 1 . . . . . . . . 4879 1 1117 . 1 1 94 94 LYS CA C 13 55.66 . . 1 . . . . . . . . 4879 1 1118 . 1 1 94 94 LYS HA H 1 5.11 . . 1 . . . . . . . . 4879 1 1119 . 1 1 94 94 LYS CB C 13 35.46 . . 1 . . . . . . . . 4879 1 1120 . 1 1 94 94 LYS HB2 H 1 1.71 . . 1 . . . . . . . . 4879 1 1121 . 1 1 94 94 LYS HB3 H 1 1.51 . . 1 . . . . . . . . 4879 1 1122 . 1 1 94 94 LYS CG C 13 25.20 . . 1 . . . . . . . . 4879 1 1123 . 1 1 94 94 LYS HG2 H 1 1.31 . . 2 . . . . . . . . 4879 1 1124 . 1 1 94 94 LYS HG3 H 1 1.41 . . 2 . . . . . . . . 4879 1 1125 . 1 1 94 94 LYS CD C 13 29.90 . . 1 . . . . . . . . 4879 1 1126 . 1 1 94 94 LYS CE C 13 42.80 . . 1 . . . . . . . . 4879 1 1127 . 1 1 94 94 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 4879 1 1128 . 1 1 94 94 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 4879 1 1129 . 1 1 94 94 LYS C C 13 174.68 . . 1 . . . . . . . . 4879 1 1130 . 1 1 95 95 TYR N N 15 119.80 . . 1 . . . . . . . . 4879 1 1131 . 1 1 95 95 TYR H H 1 8.99 . . 1 . . . . . . . . 4879 1 1132 . 1 1 95 95 TYR CA C 13 55.34 . . 1 . . . . . . . . 4879 1 1133 . 1 1 95 95 TYR HA H 1 5.07 . . 1 . . . . . . . . 4879 1 1134 . 1 1 95 95 TYR CB C 13 43.59 . . 1 . . . . . . . . 4879 1 1135 . 1 1 95 95 TYR HB2 H 1 2.25 . . 1 . . . . . . . . 4879 1 1136 . 1 1 95 95 TYR HB3 H 1 2.40 . . 1 . . . . . . . . 4879 1 1137 . 1 1 95 95 TYR CD1 C 13 133.52 . . 1 . . . . . . . . 4879 1 1138 . 1 1 95 95 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 4879 1 1139 . 1 1 95 95 TYR CD2 C 13 133.52 . . 1 . . . . . . . . 4879 1 1140 . 1 1 95 95 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 4879 1 1141 . 1 1 95 95 TYR CE1 C 13 117.68 . . 1 . . . . . . . . 4879 1 1142 . 1 1 95 95 TYR HE1 H 1 6.50 . . 1 . . . . . . . . 4879 1 1143 . 1 1 95 95 TYR CE2 C 13 117.68 . . 1 . . . . . . . . 4879 1 1144 . 1 1 95 95 TYR HE2 H 1 6.50 . . 1 . . . . . . . . 4879 1 1145 . 1 1 95 95 TYR C C 13 173.34 . . 1 . . . . . . . . 4879 1 1146 . 1 1 96 96 LYS N N 15 120.01 . . 1 . . . . . . . . 4879 1 1147 . 1 1 96 96 LYS H H 1 9.01 . . 1 . . . . . . . . 4879 1 1148 . 1 1 96 96 LYS CA C 13 54.73 . . 1 . . . . . . . . 4879 1 1149 . 1 1 96 96 LYS HA H 1 5.11 . . 1 . . . . . . . . 4879 1 1150 . 1 1 96 96 LYS CB C 13 36.48 . . 1 . . . . . . . . 4879 1 1151 . 1 1 96 96 LYS HB2 H 1 1.66 . . 1 . . . . . . . . 4879 1 1152 . 1 1 96 96 LYS HB3 H 1 1.47 . . 1 . . . . . . . . 4879 1 1153 . 1 1 96 96 LYS CG C 13 24.85 . . 1 . . . . . . . . 4879 1 1154 . 1 1 96 96 LYS HG2 H 1 1.30 . . 1 . . . . . . . . 4879 1 1155 . 1 1 96 96 LYS HG3 H 1 1.36 . . 1 . . . . . . . . 4879 1 1156 . 1 1 96 96 LYS CD C 13 29.97 . . 1 . . . . . . . . 4879 1 1157 . 1 1 96 96 LYS CE C 13 42.31 . . 1 . . . . . . . . 4879 1 1158 . 1 1 96 96 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 4879 1 1159 . 1 1 96 96 LYS C C 13 176.80 . . 1 . . . . . . . . 4879 1 1160 . 1 1 97 97 MET N N 15 125.78 . . 1 . . . . . . . . 4879 1 1161 . 1 1 97 97 MET H H 1 9.19 . . 1 . . . . . . . . 4879 1 1162 . 1 1 97 97 MET CA C 13 57.33 . . 1 . . . . . . . . 4879 1 1163 . 1 1 97 97 MET HA H 1 4.51 . . 1 . . . . . . . . 4879 1 1164 . 1 1 97 97 MET CB C 13 32.11 . . 1 . . . . . . . . 4879 1 1165 . 1 1 97 97 MET HB2 H 1 2.17 . . 1 . . . . . . . . 4879 1 1166 . 1 1 97 97 MET HB3 H 1 2.33 . . 1 . . . . . . . . 4879 1 1167 . 1 1 97 97 MET CG C 13 32.90 . . 2 . . . . . . . . 4879 1 1168 . 1 1 97 97 MET HG2 H 1 2.51 . . 2 . . . . . . . . 4879 1 1169 . 1 1 97 97 MET CE C 13 17.07 . . 1 . . . . . . . . 4879 1 1170 . 1 1 97 97 MET HE1 H 1 1.61 . . 1 . . . . . . . . 4879 1 1171 . 1 1 97 97 MET HE2 H 1 1.61 . . 1 . . . . . . . . 4879 1 1172 . 1 1 97 97 MET HE3 H 1 1.61 . . 1 . . . . . . . . 4879 1 1173 . 1 1 97 97 MET C C 13 176.09 . . 2 . . . . . . . . 4879 1 1174 . 1 1 98 98 THR N N 15 112.65 . . 1 . . . . . . . . 4879 1 1175 . 1 1 98 98 THR H H 1 7.41 . . 1 . . . . . . . . 4879 1 1176 . 1 1 98 98 THR CA C 13 62.92 . . 2 . . . . . . . . 4879 1 1177 . 1 1 98 98 THR HA H 1 5.58 . . 2 . . . . . . . . 4879 1 1178 . 1 1 98 98 THR CB C 13 71.00 . . 1 . . . . . . . . 4879 1 1179 . 1 1 98 98 THR CG2 C 13 22.54 . . 1 . . . . . . . . 4879 1 1180 . 1 1 98 98 THR HG21 H 1 1.34 . . 1 . . . . . . . . 4879 1 1181 . 1 1 98 98 THR HG22 H 1 1.34 . . 1 . . . . . . . . 4879 1 1182 . 1 1 98 98 THR HG23 H 1 1.34 . . 1 . . . . . . . . 4879 1 1183 . 1 1 98 98 THR C C 13 173.85 . . 1 . . . . . . . . 4879 1 1184 . 1 1 99 99 SER N N 15 112.65 . . 1 . . . . . . . . 4879 1 1185 . 1 1 99 99 SER H H 1 7.41 . . 1 . . . . . . . . 4879 1 1186 . 1 1 99 99 SER CA C 13 57.84 . . 2 . . . . . . . . 4879 1 1187 . 1 1 99 99 SER HA H 1 5.58 . . 2 . . . . . . . . 4879 1 1188 . 1 1 99 99 SER CB C 13 68.22 . . 1 . . . . . . . . 4879 1 1189 . 1 1 99 99 SER HB2 H 1 3.16 . . 1 . . . . . . . . 4879 1 1190 . 1 1 99 99 SER HB3 H 1 3.62 . . 1 . . . . . . . . 4879 1 1191 . 1 1 100 100 ILE H H 1 7.04 . . 1 . . . . . . . . 4879 1 1192 . 1 1 100 100 ILE CA C 13 60.96 . . 1 . . . . . . . . 4879 1 1193 . 1 1 100 100 ILE CB C 13 34.65 . . 1 . . . . . . . . 4879 1 1194 . 1 1 100 100 ILE HB H 1 1.42 . . 2 . . . . . . . . 4879 1 1195 . 1 1 100 100 ILE CG1 C 13 27.26 . . 1 . . . . . . . . 4879 1 1196 . 1 1 100 100 ILE HG12 H 1 0.90 . . 2 . . . . . . . . 4879 1 1197 . 1 1 100 100 ILE HG13 H 1 1.28 . . 2 . . . . . . . . 4879 1 1198 . 1 1 100 100 ILE CG2 C 13 17.08 . . 1 . . . . . . . . 4879 1 1199 . 1 1 100 100 ILE HG21 H 1 0.13 . . 1 . . . . . . . . 4879 1 1200 . 1 1 100 100 ILE HG22 H 1 0.13 . . 1 . . . . . . . . 4879 1 1201 . 1 1 100 100 ILE HG23 H 1 0.13 . . 1 . . . . . . . . 4879 1 1202 . 1 1 100 100 ILE CD1 C 13 14.17 . . 1 . . . . . . . . 4879 1 1203 . 1 1 100 100 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4879 1 1204 . 1 1 100 100 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4879 1 1205 . 1 1 100 100 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4879 1 1206 . 1 1 100 100 ILE C C 13 175.82 . . 1 . . . . . . . . 4879 1 1207 . 1 1 101 101 ARG N N 15 126.02 . . 1 . . . . . . . . 4879 1 1208 . 1 1 101 101 ARG H H 1 9.10 . . 1 . . . . . . . . 4879 1 1209 . 1 1 101 101 ARG CA C 13 54.90 . . 1 . . . . . . . . 4879 1 1210 . 1 1 101 101 ARG HA H 1 4.57 . . 2 . . . . . . . . 4879 1 1211 . 1 1 101 101 ARG CB C 13 32.61 . . 1 . . . . . . . . 4879 1 1212 . 1 1 101 101 ARG HB2 H 1 1.70 . . 1 . . . . . . . . 4879 1 1213 . 1 1 101 101 ARG HB3 H 1 1.94 . . 1 . . . . . . . . 4879 1 1214 . 1 1 101 101 ARG C C 13 173.57 . . 1 . . . . . . . . 4879 1 1215 . 1 1 102 102 ASP N N 15 123.90 . . 2 . . . . . . . . 4879 1 1216 . 1 1 102 102 ASP H H 1 7.90 . . 2 . . . . . . . . 4879 1 1217 . 1 1 102 102 ASP CA C 13 55.35 . . 2 . . . . . . . . 4879 1 1218 . 1 1 102 102 ASP HA H 1 4.43 . . 1 . . . . . . . . 4879 1 1219 . 1 1 102 102 ASP CB C 13 42.02 . . 2 . . . . . . . . 4879 1 1220 . 1 1 102 102 ASP HB2 H 1 1.74 . . 1 . . . . . . . . 4879 1 1221 . 1 1 102 102 ASP HB3 H 1 2.14 . . 1 . . . . . . . . 4879 1 1222 . 1 1 102 102 ASP C C 13 175.91 . . 1 . . . . . . . . 4879 1 1223 . 1 1 103 103 VAL N N 15 114.93 . . 2 . . . . . . . . 4879 1 1224 . 1 1 103 103 VAL H H 1 7.78 . . 2 . . . . . . . . 4879 1 1225 . 1 1 103 103 VAL CA C 13 60.18 . . 2 . . . . . . . . 4879 1 1226 . 1 1 103 103 VAL HA H 1 4.47 . . 2 . . . . . . . . 4879 1 1227 . 1 1 103 103 VAL CB C 13 34.62 . . 2 . . . . . . . . 4879 1 1228 . 1 1 105 105 PRO CA C 13 63.68 . . 1 . . . . . . . . 4879 1 1229 . 1 1 105 105 PRO HA H 1 4.39 . . 2 . . . . . . . . 4879 1 1230 . 1 1 105 105 PRO CB C 13 32.28 . . 1 . . . . . . . . 4879 1 1231 . 1 1 105 105 PRO HB2 H 1 2.15 . . 1 . . . . . . . . 4879 1 1232 . 1 1 105 105 PRO HB3 H 1 1.75 . . 1 . . . . . . . . 4879 1 1233 . 1 1 105 105 PRO CG C 13 27.59 . . 1 . . . . . . . . 4879 1 1234 . 1 1 105 105 PRO HG2 H 1 1.95 . . 1 . . . . . . . . 4879 1 1235 . 1 1 105 105 PRO HG3 H 1 1.95 . . 1 . . . . . . . . 4879 1 1236 . 1 1 105 105 PRO CD C 13 51.68 . . 1 . . . . . . . . 4879 1 1237 . 1 1 105 105 PRO HD2 H 1 3.59 . . 1 . . . . . . . . 4879 1 1238 . 1 1 105 105 PRO HD3 H 1 4.15 . . 1 . . . . . . . . 4879 1 1239 . 1 1 106 106 THR N N 15 120.05 . . 2 . . . . . . . . 4879 1 1240 . 1 1 106 106 THR H H 1 7.95 . . 2 . . . . . . . . 4879 1 1241 . 1 1 106 106 THR CA C 13 61.24 . . 1 . . . . . . . . 4879 1 1242 . 1 1 106 106 THR HA H 1 4.20 . . 2 . . . . . . . . 4879 1 1243 . 1 1 106 106 THR CB C 13 69.24 . . 1 . . . . . . . . 4879 1 1244 . 1 1 106 106 THR HB H 1 4.50 . . 2 . . . . . . . . 4879 1 1245 . 1 1 106 106 THR CG2 C 13 22.14 . . 1 . . . . . . . . 4879 1 1246 . 1 1 106 106 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4879 1 1247 . 1 1 106 106 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4879 1 1248 . 1 1 106 106 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4879 1 1249 . 1 1 106 106 THR C C 13 175.04 . . 1 . . . . . . . . 4879 1 1250 . 1 1 107 107 ASP N N 15 123.13 . . 1 . . . . . . . . 4879 1 1251 . 1 1 107 107 ASP H H 1 7.58 . . 1 . . . . . . . . 4879 1 1252 . 1 1 107 107 ASP CA C 13 55.24 . . 1 . . . . . . . . 4879 1 1253 . 1 1 107 107 ASP HA H 1 4.69 . . 1 . . . . . . . . 4879 1 1254 . 1 1 107 107 ASP CB C 13 40.99 . . 1 . . . . . . . . 4879 1 1255 . 1 1 107 107 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4879 1 1256 . 1 1 107 107 ASP HB3 H 1 2.74 . . 1 . . . . . . . . 4879 1 1257 . 1 1 107 107 ASP C C 13 176.66 . . 1 . . . . . . . . 4879 1 1258 . 1 1 108 108 VAL N N 15 119.13 . . 1 . . . . . . . . 4879 1 1259 . 1 1 108 108 VAL H H 1 8.16 . . 1 . . . . . . . . 4879 1 1260 . 1 1 108 108 VAL CA C 13 62.01 . . 1 . . . . . . . . 4879 1 1261 . 1 1 108 108 VAL HA H 1 4.31 . . 1 . . . . . . . . 4879 1 1262 . 1 1 108 108 VAL CB C 13 32.56 . . 1 . . . . . . . . 4879 1 1263 . 1 1 108 108 VAL HB H 1 2.27 . . 1 . . . . . . . . 4879 1 1264 . 1 1 108 108 VAL CG1 C 13 19.43 . . 1 . . . . . . . . 4879 1 1265 . 1 1 108 108 VAL HG11 H 1 0.91 . . 2 . . . . . . . . 4879 1 1266 . 1 1 108 108 VAL HG12 H 1 0.91 . . 2 . . . . . . . . 4879 1 1267 . 1 1 108 108 VAL HG13 H 1 0.91 . . 2 . . . . . . . . 4879 1 1268 . 1 1 108 108 VAL CG2 C 13 21.55 . . 1 . . . . . . . . 4879 1 1269 . 1 1 108 108 VAL HG21 H 1 0.95 . . 2 . . . . . . . . 4879 1 1270 . 1 1 108 108 VAL HG22 H 1 0.95 . . 2 . . . . . . . . 4879 1 1271 . 1 1 108 108 VAL HG23 H 1 0.95 . . 2 . . . . . . . . 4879 1 1272 . 1 1 108 108 VAL C C 13 177.49 . . 1 . . . . . . . . 4879 1 1273 . 1 1 109 109 GLY N N 15 111.60 . . 1 . . . . . . . . 4879 1 1274 . 1 1 109 109 GLY H H 1 8.65 . . 1 . . . . . . . . 4879 1 1275 . 1 1 109 109 GLY CA C 13 46.29 . . 1 . . . . . . . . 4879 1 1276 . 1 1 109 109 GLY HA2 H 1 4.07 . . 1 . . . . . . . . 4879 1 1277 . 1 1 109 109 GLY HA3 H 1 3.92 . . 1 . . . . . . . . 4879 1 1278 . 1 1 109 109 GLY C C 13 176.14 . . 1 . . . . . . . . 4879 1 1279 . 1 1 110 110 VAL N N 15 116.81 . . 1 . . . . . . . . 4879 1 1280 . 1 1 110 110 VAL H H 1 7.27 . . 1 . . . . . . . . 4879 1 1281 . 1 1 110 110 VAL CA C 13 64.81 . . 1 . . . . . . . . 4879 1 1282 . 1 1 110 110 VAL HA H 1 3.77 . . 1 . . . . . . . . 4879 1 1283 . 1 1 110 110 VAL CB C 13 31.86 . . 1 . . . . . . . . 4879 1 1284 . 1 1 110 110 VAL HB H 1 2.07 . . 1 . . . . . . . . 4879 1 1285 . 1 1 110 110 VAL CG1 C 13 20.56 . . 1 . . . . . . . . 4879 1 1286 . 1 1 110 110 VAL HG11 H 1 0.83 . . 2 . . . . . . . . 4879 1 1287 . 1 1 110 110 VAL HG12 H 1 0.83 . . 2 . . . . . . . . 4879 1 1288 . 1 1 110 110 VAL HG13 H 1 0.83 . . 2 . . . . . . . . 4879 1 1289 . 1 1 110 110 VAL CG2 C 13 21.80 . . 1 . . . . . . . . 4879 1 1290 . 1 1 110 110 VAL HG21 H 1 0.88 . . 2 . . . . . . . . 4879 1 1291 . 1 1 110 110 VAL HG22 H 1 0.88 . . 2 . . . . . . . . 4879 1 1292 . 1 1 110 110 VAL HG23 H 1 0.88 . . 2 . . . . . . . . 4879 1 1293 . 1 1 110 110 VAL C C 13 176.87 . . 1 . . . . . . . . 4879 1 1294 . 1 1 111 111 LEU N N 15 116.51 . . 1 . . . . . . . . 4879 1 1295 . 1 1 111 111 LEU H H 1 7.86 . . 1 . . . . . . . . 4879 1 1296 . 1 1 111 111 LEU CA C 13 54.39 . . 1 . . . . . . . . 4879 1 1297 . 1 1 111 111 LEU HA H 1 4.27 . . 1 . . . . . . . . 4879 1 1298 . 1 1 111 111 LEU CB C 13 41.14 . . 1 . . . . . . . . 4879 1 1299 . 1 1 111 111 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 4879 1 1300 . 1 1 111 111 LEU HB3 H 1 1.70 . . 1 . . . . . . . . 4879 1 1301 . 1 1 111 111 LEU CG C 13 27.24 . . 1 . . . . . . . . 4879 1 1302 . 1 1 111 111 LEU HG H 1 1.56 . . 1 . . . . . . . . 4879 1 1303 . 1 1 111 111 LEU CD1 C 13 25.44 . . 1 . . . . . . . . 4879 1 1304 . 1 1 111 111 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 4879 1 1305 . 1 1 111 111 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 4879 1 1306 . 1 1 111 111 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 4879 1 1307 . 1 1 111 111 LEU CD2 C 13 22.82 . . 1 . . . . . . . . 4879 1 1308 . 1 1 111 111 LEU HD21 H 1 0.74 . . 1 . . . . . . . . 4879 1 1309 . 1 1 111 111 LEU HD22 H 1 0.74 . . 1 . . . . . . . . 4879 1 1310 . 1 1 111 111 LEU HD23 H 1 0.74 . . 1 . . . . . . . . 4879 1 1311 . 1 1 111 111 LEU C C 13 178.11 . . 1 . . . . . . . . 4879 1 1312 . 1 1 112 112 ASP N N 15 120.79 . . 1 . . . . . . . . 4879 1 1313 . 1 1 112 112 ASP H H 1 7.51 . . 1 . . . . . . . . 4879 1 1314 . 1 1 112 112 ASP CA C 13 54.90 . . 1 . . . . . . . . 4879 1 1315 . 1 1 112 112 ASP HA H 1 4.52 . . 1 . . . . . . . . 4879 1 1316 . 1 1 112 112 ASP CB C 13 41.33 . . 1 . . . . . . . . 4879 1 1317 . 1 1 112 112 ASP HB2 H 1 2.58 . . 1 . . . . . . . . 4879 1 1318 . 1 1 112 112 ASP HB3 H 1 2.74 . . 1 . . . . . . . . 4879 1 1319 . 1 1 112 112 ASP C C 13 177.04 . . 1 . . . . . . . . 4879 1 1320 . 1 1 113 113 GLU N N 15 120.91 . . 1 . . . . . . . . 4879 1 1321 . 1 1 113 113 GLU H H 1 8.65 . . 1 . . . . . . . . 4879 1 1322 . 1 1 113 113 GLU CA C 13 56.33 . . 1 . . . . . . . . 4879 1 1323 . 1 1 113 113 GLU HA H 1 4.62 . . 1 . . . . . . . . 4879 1 1324 . 1 1 113 113 GLU CB C 13 31.44 . . 1 . . . . . . . . 4879 1 1325 . 1 1 113 113 GLU HB2 H 1 2.02 . . 1 . . . . . . . . 4879 1 1326 . 1 1 113 113 GLU HB3 H 1 1.86 . . 1 . . . . . . . . 4879 1 1327 . 1 1 113 113 GLU CG C 13 36.56 . . 1 . . . . . . . . 4879 1 1328 . 1 1 113 113 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 4879 1 1329 . 1 1 113 113 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 4879 1 1330 . 1 1 113 113 GLU C C 13 177.25 . . 1 . . . . . . . . 4879 1 1331 . 1 1 114 114 GLN N N 15 124.28 . . 1 . . . . . . . . 4879 1 1332 . 1 1 114 114 GLN H H 1 8.47 . . 1 . . . . . . . . 4879 1 1333 . 1 1 114 114 GLN CA C 13 54.06 . . 1 . . . . . . . . 4879 1 1334 . 1 1 114 114 GLN HA H 1 4.36 . . 1 . . . . . . . . 4879 1 1335 . 1 1 114 114 GLN CB C 13 28.34 . . 1 . . . . . . . . 4879 1 1336 . 1 1 114 114 GLN HB2 H 1 1.75 . . 1 . . . . . . . . 4879 1 1337 . 1 1 114 114 GLN HB3 H 1 1.86 . . 1 . . . . . . . . 4879 1 1338 . 1 1 114 114 GLN CG C 13 33.41 . . 1 . . . . . . . . 4879 1 1339 . 1 1 114 114 GLN HG2 H 1 2.26 . . 2 . . . . . . . . 4879 1 1340 . 1 1 114 114 GLN NE2 N 15 113.31 . . 1 . . . . . . . . 4879 1 1341 . 1 1 114 114 GLN HE21 H 1 6.68 . . 1 . . . . . . . . 4879 1 1342 . 1 1 114 114 GLN HE22 H 1 7.26 . . 1 . . . . . . . . 4879 1 1343 . 1 1 114 114 GLN C C 13 175.22 . . 1 . . . . . . . . 4879 1 1344 . 1 1 115 115 LYS N N 15 122.36 . . 1 . . . . . . . . 4879 1 1345 . 1 1 115 115 LYS H H 1 8.15 . . 1 . . . . . . . . 4879 1 1346 . 1 1 115 115 LYS CA C 13 57.92 . . 1 . . . . . . . . 4879 1 1347 . 1 1 115 115 LYS HA H 1 4.01 . . 1 . . . . . . . . 4879 1 1348 . 1 1 115 115 LYS CB C 13 32.05 . . 1 . . . . . . . . 4879 1 1349 . 1 1 115 115 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 4879 1 1350 . 1 1 115 115 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 4879 1 1351 . 1 1 115 115 LYS CG C 13 24.99 . . 1 . . . . . . . . 4879 1 1352 . 1 1 115 115 LYS HG2 H 1 1.45 . . 2 . . . . . . . . 4879 1 1353 . 1 1 115 115 LYS CD C 13 29.27 . . 1 . . . . . . . . 4879 1 1354 . 1 1 115 115 LYS CE C 13 42.45 . . 1 . . . . . . . . 4879 1 1355 . 1 1 115 115 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 4879 1 1356 . 1 1 115 115 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4879 1 1357 . 1 1 116 116 GLY CA C 13 45.52 . . 1 . . . . . . . . 4879 1 1358 . 1 1 116 116 GLY HA2 H 1 4.09 . . 1 . . . . . . . . 4879 1 1359 . 1 1 116 116 GLY HA3 H 1 3.78 . . 1 . . . . . . . . 4879 1 1360 . 1 1 116 116 GLY C C 13 174.22 . . 1 . . . . . . . . 4879 1 1361 . 1 1 117 117 LYS N N 15 119.36 . . 1 . . . . . . . . 4879 1 1362 . 1 1 117 117 LYS H H 1 7.48 . . 1 . . . . . . . . 4879 1 1363 . 1 1 117 117 LYS CA C 13 55.24 . . 1 . . . . . . . . 4879 1 1364 . 1 1 117 117 LYS HA H 1 4.47 . . 1 . . . . . . . . 4879 1 1365 . 1 1 117 117 LYS CB C 13 33.87 . . 1 . . . . . . . . 4879 1 1366 . 1 1 117 117 LYS HB2 H 1 1.93 . . 1 . . . . . . . . 4879 1 1367 . 1 1 117 117 LYS HB3 H 1 1.80 . . 1 . . . . . . . . 4879 1 1368 . 1 1 117 117 LYS CG C 13 24.82 . . 1 . . . . . . . . 4879 1 1369 . 1 1 117 117 LYS HG2 H 1 1.30 . . 2 . . . . . . . . 4879 1 1370 . 1 1 117 117 LYS HG3 H 1 1.56 . . 2 . . . . . . . . 4879 1 1371 . 1 1 117 117 LYS CD C 13 28.67 . . 1 . . . . . . . . 4879 1 1372 . 1 1 117 117 LYS CE C 13 42.42 . . 1 . . . . . . . . 4879 1 1373 . 1 1 117 117 LYS C C 13 176.28 . . 1 . . . . . . . . 4879 1 1374 . 1 1 118 118 ASP N N 15 119.75 . . 1 . . . . . . . . 4879 1 1375 . 1 1 118 118 ASP H H 1 8.09 . . 1 . . . . . . . . 4879 1 1376 . 1 1 118 118 ASP CA C 13 55.07 . . 1 . . . . . . . . 4879 1 1377 . 1 1 118 118 ASP HA H 1 4.54 . . 1 . . . . . . . . 4879 1 1378 . 1 1 118 118 ASP CB C 13 41.66 . . 1 . . . . . . . . 4879 1 1379 . 1 1 118 118 ASP HB2 H 1 2.47 . . 1 . . . . . . . . 4879 1 1380 . 1 1 118 118 ASP HB3 H 1 2.92 . . 1 . . . . . . . . 4879 1 1381 . 1 1 118 118 ASP C C 13 176.57 . . 1 . . . . . . . . 4879 1 1382 . 1 1 119 119 LYS N N 15 122.11 . . 1 . . . . . . . . 4879 1 1383 . 1 1 119 119 LYS H H 1 8.84 . . 1 . . . . . . . . 4879 1 1384 . 1 1 119 119 LYS CA C 13 58.42 . . 1 . . . . . . . . 4879 1 1385 . 1 1 119 119 LYS HA H 1 4.60 . . 1 . . . . . . . . 4879 1 1386 . 1 1 119 119 LYS CB C 13 32.78 . . 1 . . . . . . . . 4879 1 1387 . 1 1 119 119 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 4879 1 1388 . 1 1 119 119 LYS HB3 H 1 2.39 . . 1 . . . . . . . . 4879 1 1389 . 1 1 119 119 LYS CG C 13 26.82 . . 1 . . . . . . . . 4879 1 1390 . 1 1 119 119 LYS HG2 H 1 1.54 . . 1 . . . . . . . . 4879 1 1391 . 1 1 119 119 LYS HG3 H 1 1.80 . . 1 . . . . . . . . 4879 1 1392 . 1 1 119 119 LYS CD C 13 29.69 . . 1 . . . . . . . . 4879 1 1393 . 1 1 119 119 LYS CE C 13 42.80 . . 1 . . . . . . . . 4879 1 1394 . 1 1 119 119 LYS C C 13 175.84 . . 1 . . . . . . . . 4879 1 1395 . 1 1 120 120 GLN N N 15 116.62 . . 1 . . . . . . . . 4879 1 1396 . 1 1 120 120 GLN H H 1 9.50 . . 1 . . . . . . . . 4879 1 1397 . 1 1 120 120 GLN CA C 13 53.92 . . 1 . . . . . . . . 4879 1 1398 . 1 1 120 120 GLN HA H 1 5.65 . . 1 . . . . . . . . 4879 1 1399 . 1 1 120 120 GLN CB C 13 34.04 . . 1 . . . . . . . . 4879 1 1400 . 1 1 120 120 GLN HB2 H 1 1.94 . . 1 . . . . . . . . 4879 1 1401 . 1 1 120 120 GLN HB3 H 1 1.94 . . 1 . . . . . . . . 4879 1 1402 . 1 1 120 120 GLN CG C 13 33.34 . . 1 . . . . . . . . 4879 1 1403 . 1 1 120 120 GLN HG2 H 1 2.05 . . 1 . . . . . . . . 4879 1 1404 . 1 1 120 120 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 4879 1 1405 . 1 1 120 120 GLN NE2 N 15 110.29 . . 1 . . . . . . . . 4879 1 1406 . 1 1 120 120 GLN HE21 H 1 7.38 . . 1 . . . . . . . . 4879 1 1407 . 1 1 120 120 GLN HE22 H 1 6.11 . . 1 . . . . . . . . 4879 1 1408 . 1 1 120 120 GLN C C 13 174.44 . . 1 . . . . . . . . 4879 1 1409 . 1 1 121 121 LEU N N 15 122.11 . . 1 . . . . . . . . 4879 1 1410 . 1 1 121 121 LEU H H 1 8.91 . . 1 . . . . . . . . 4879 1 1411 . 1 1 121 121 LEU CA C 13 53.06 . . 1 . . . . . . . . 4879 1 1412 . 1 1 121 121 LEU HA H 1 5.21 . . 1 . . . . . . . . 4879 1 1413 . 1 1 121 121 LEU CB C 13 45.12 . . 1 . . . . . . . . 4879 1 1414 . 1 1 121 121 LEU HB2 H 1 0.82 . . 1 . . . . . . . . 4879 1 1415 . 1 1 121 121 LEU HB3 H 1 0.68 . . 1 . . . . . . . . 4879 1 1416 . 1 1 121 121 LEU CG C 13 25.85 . . 2 . . . . . . . . 4879 1 1417 . 1 1 121 121 LEU HG H 1 0.17 . . 2 . . . . . . . . 4879 1 1418 . 1 1 121 121 LEU CD1 C 13 24.36 . . 1 . . . . . . . . 4879 1 1419 . 1 1 121 121 LEU HD11 H 1 0.24 . . 2 . . . . . . . . 4879 1 1420 . 1 1 121 121 LEU HD12 H 1 0.24 . . 2 . . . . . . . . 4879 1 1421 . 1 1 121 121 LEU HD13 H 1 0.24 . . 2 . . . . . . . . 4879 1 1422 . 1 1 121 121 LEU CD2 C 13 26.36 . . 1 . . . . . . . . 4879 1 1423 . 1 1 121 121 LEU HD21 H 1 0.04 . . 2 . . . . . . . . 4879 1 1424 . 1 1 121 121 LEU HD22 H 1 0.04 . . 2 . . . . . . . . 4879 1 1425 . 1 1 121 121 LEU HD23 H 1 0.04 . . 2 . . . . . . . . 4879 1 1426 . 1 1 121 121 LEU C C 13 176.49 . . 1 . . . . . . . . 4879 1 1427 . 1 1 122 122 THR N N 15 120.80 . . 1 . . . . . . . . 4879 1 1428 . 1 1 122 122 THR H H 1 8.95 . . 1 . . . . . . . . 4879 1 1429 . 1 1 122 122 THR CA C 13 62.61 . . 1 . . . . . . . . 4879 1 1430 . 1 1 122 122 THR HA H 1 4.50 . . 1 . . . . . . . . 4879 1 1431 . 1 1 122 122 THR CB C 13 69.40 . . 1 . . . . . . . . 4879 1 1432 . 1 1 122 122 THR HB H 1 4.13 . . 1 . . . . . . . . 4879 1 1433 . 1 1 122 122 THR CG2 C 13 22.33 . . 1 . . . . . . . . 4879 1 1434 . 1 1 122 122 THR HG21 H 1 0.97 . . 1 . . . . . . . . 4879 1 1435 . 1 1 122 122 THR HG22 H 1 0.97 . . 1 . . . . . . . . 4879 1 1436 . 1 1 122 122 THR HG23 H 1 0.97 . . 1 . . . . . . . . 4879 1 1437 . 1 1 122 122 THR C C 13 173.35 . . 1 . . . . . . . . 4879 1 1438 . 1 1 123 123 LEU N N 15 128.03 . . 1 . . . . . . . . 4879 1 1439 . 1 1 123 123 LEU H H 1 9.28 . . 1 . . . . . . . . 4879 1 1440 . 1 1 123 123 LEU CA C 13 53.14 . . 1 . . . . . . . . 4879 1 1441 . 1 1 123 123 LEU HA H 1 5.20 . . 1 . . . . . . . . 4879 1 1442 . 1 1 123 123 LEU CB C 13 41.47 . . 1 . . . . . . . . 4879 1 1443 . 1 1 123 123 LEU HB2 H 1 1.82 . . 1 . . . . . . . . 4879 1 1444 . 1 1 123 123 LEU HB3 H 1 0.68 . . 1 . . . . . . . . 4879 1 1445 . 1 1 123 123 LEU CG C 13 27.26 . . 1 . . . . . . . . 4879 1 1446 . 1 1 123 123 LEU HG H 1 1.43 . . 1 . . . . . . . . 4879 1 1447 . 1 1 123 123 LEU CD1 C 13 24.90 . . 1 . . . . . . . . 4879 1 1448 . 1 1 123 123 LEU HD11 H 1 0.45 . . 2 . . . . . . . . 4879 1 1449 . 1 1 123 123 LEU HD12 H 1 0.45 . . 2 . . . . . . . . 4879 1 1450 . 1 1 123 123 LEU HD13 H 1 0.45 . . 2 . . . . . . . . 4879 1 1451 . 1 1 123 123 LEU CD2 C 13 26.03 . . 1 . . . . . . . . 4879 1 1452 . 1 1 123 123 LEU HD21 H 1 0.36 . . 2 . . . . . . . . 4879 1 1453 . 1 1 123 123 LEU HD22 H 1 0.36 . . 2 . . . . . . . . 4879 1 1454 . 1 1 123 123 LEU HD23 H 1 0.36 . . 2 . . . . . . . . 4879 1 1455 . 1 1 123 123 LEU C C 13 175.88 . . 1 . . . . . . . . 4879 1 1456 . 1 1 124 124 ILE N N 15 123.49 . . 1 . . . . . . . . 4879 1 1457 . 1 1 124 124 ILE H H 1 9.31 . . 1 . . . . . . . . 4879 1 1458 . 1 1 124 124 ILE CA C 13 59.95 . . 1 . . . . . . . . 4879 1 1459 . 1 1 124 124 ILE HA H 1 5.12 . . 1 . . . . . . . . 4879 1 1460 . 1 1 124 124 ILE CB C 13 41.66 . . 1 . . . . . . . . 4879 1 1461 . 1 1 124 124 ILE HB H 1 1.54 . . 1 . . . . . . . . 4879 1 1462 . 1 1 124 124 ILE CG1 C 13 27.73 . . 1 . . . . . . . . 4879 1 1463 . 1 1 124 124 ILE HG12 H 1 0.70 . . 1 . . . . . . . . 4879 1 1464 . 1 1 124 124 ILE HG13 H 1 0.70 . . 1 . . . . . . . . 4879 1 1465 . 1 1 124 124 ILE CG2 C 13 18.16 . . 1 . . . . . . . . 4879 1 1466 . 1 1 124 124 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4879 1 1467 . 1 1 124 124 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4879 1 1468 . 1 1 124 124 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4879 1 1469 . 1 1 124 124 ILE CD1 C 13 15.24 . . 1 . . . . . . . . 4879 1 1470 . 1 1 124 124 ILE HD11 H 1 0.71 . . 1 . . . . . . . . 4879 1 1471 . 1 1 124 124 ILE HD12 H 1 0.71 . . 1 . . . . . . . . 4879 1 1472 . 1 1 124 124 ILE HD13 H 1 0.71 . . 1 . . . . . . . . 4879 1 1473 . 1 1 124 124 ILE C C 13 177.14 . . 1 . . . . . . . . 4879 1 1474 . 1 1 125 125 THR N N 15 118.76 . . 1 . . . . . . . . 4879 1 1475 . 1 1 125 125 THR H H 1 9.32 . . 1 . . . . . . . . 4879 1 1476 . 1 1 125 125 THR CA C 13 60.29 . . 1 . . . . . . . . 4879 1 1477 . 1 1 125 125 THR HA H 1 5.11 . . 1 . . . . . . . . 4879 1 1478 . 1 1 125 125 THR CB C 13 69.06 . . 1 . . . . . . . . 4879 1 1479 . 1 1 125 125 THR HB H 1 4.17 . . 1 . . . . . . . . 4879 1 1480 . 1 1 125 125 THR CG2 C 13 23.05 . . 1 . . . . . . . . 4879 1 1481 . 1 1 125 125 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4879 1 1482 . 1 1 125 125 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4879 1 1483 . 1 1 125 125 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4879 1 1484 . 1 1 125 125 THR C C 13 174.55 . . 1 . . . . . . . . 4879 1 1485 . 1 1 126 126 CYS N N 15 120.13 . . 1 . . . . . . . . 4879 1 1486 . 1 1 126 126 CYS H H 1 7.96 . . 1 . . . . . . . . 4879 1 1487 . 1 1 126 126 CYS CA C 13 58.25 . . 1 . . . . . . . . 4879 1 1488 . 1 1 126 126 CYS HA H 1 4.87 . . 1 . . . . . . . . 4879 1 1489 . 1 1 126 126 CYS CB C 13 29.76 . . 1 . . . . . . . . 4879 1 1490 . 1 1 126 126 CYS HB2 H 1 1.42 . . 1 . . . . . . . . 4879 1 1491 . 1 1 126 126 CYS HB3 H 1 1.09 . . 1 . . . . . . . . 4879 1 1492 . 1 1 126 126 CYS C C 13 172.56 . . 1 . . . . . . . . 4879 1 1493 . 1 1 127 127 ASP N N 15 121.72 . . 1 . . . . . . . . 4879 1 1494 . 1 1 127 127 ASP H H 1 8.69 . . 1 . . . . . . . . 4879 1 1495 . 1 1 127 127 ASP CA C 13 53.31 . . 1 . . . . . . . . 4879 1 1496 . 1 1 127 127 ASP HA H 1 5.10 . . 1 . . . . . . . . 4879 1 1497 . 1 1 127 127 ASP CB C 13 44.76 . . 1 . . . . . . . . 4879 1 1498 . 1 1 127 127 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 4879 1 1499 . 1 1 127 127 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 4879 1 1500 . 1 1 127 127 ASP C C 13 174.53 . . 1 . . . . . . . . 4879 1 1501 . 1 1 128 128 ASP N N 15 121.29 . . 1 . . . . . . . . 4879 1 1502 . 1 1 128 128 ASP H H 1 9.27 . . 1 . . . . . . . . 4879 1 1503 . 1 1 128 128 ASP CA C 13 55.57 . . 1 . . . . . . . . 4879 1 1504 . 1 1 128 128 ASP HA H 1 4.42 . . 1 . . . . . . . . 4879 1 1505 . 1 1 128 128 ASP CB C 13 39.15 . . 1 . . . . . . . . 4879 1 1506 . 1 1 128 128 ASP HB2 H 1 3.10 . . 1 . . . . . . . . 4879 1 1507 . 1 1 128 128 ASP HB3 H 1 2.68 . . 1 . . . . . . . . 4879 1 1508 . 1 1 128 128 ASP C C 13 174.82 . . 1 . . . . . . . . 4879 1 1509 . 1 1 129 129 TYR N N 15 124.52 . . 1 . . . . . . . . 4879 1 1510 . 1 1 129 129 TYR H H 1 8.70 . . 1 . . . . . . . . 4879 1 1511 . 1 1 129 129 TYR CA C 13 60.01 . . 1 . . . . . . . . 4879 1 1512 . 1 1 129 129 TYR HA H 1 3.88 . . 1 . . . . . . . . 4879 1 1513 . 1 1 129 129 TYR CB C 13 37.74 . . 1 . . . . . . . . 4879 1 1514 . 1 1 129 129 TYR HB2 H 1 2.22 . . 1 . . . . . . . . 4879 1 1515 . 1 1 129 129 TYR HB3 H 1 1.70 . . 1 . . . . . . . . 4879 1 1516 . 1 1 129 129 TYR CD1 C 13 132.68 . . 1 . . . . . . . . 4879 1 1517 . 1 1 129 129 TYR HD1 H 1 5.52 . . 1 . . . . . . . . 4879 1 1518 . 1 1 129 129 TYR CD2 C 13 132.68 . . 1 . . . . . . . . 4879 1 1519 . 1 1 129 129 TYR HD2 H 1 5.52 . . 1 . . . . . . . . 4879 1 1520 . 1 1 129 129 TYR CE1 C 13 116.91 . . 1 . . . . . . . . 4879 1 1521 . 1 1 129 129 TYR HE1 H 1 6.20 . . 1 . . . . . . . . 4879 1 1522 . 1 1 129 129 TYR CE2 C 13 116.91 . . 1 . . . . . . . . 4879 1 1523 . 1 1 129 129 TYR HE2 H 1 6.20 . . 1 . . . . . . . . 4879 1 1524 . 1 1 129 129 TYR C C 13 175.32 . . 1 . . . . . . . . 4879 1 1525 . 1 1 130 130 ASN N N 15 128.62 . . 1 . . . . . . . . 4879 1 1526 . 1 1 130 130 ASN H H 1 8.03 . . 1 . . . . . . . . 4879 1 1527 . 1 1 130 130 ASN CA C 13 51.72 . . 1 . . . . . . . . 4879 1 1528 . 1 1 130 130 ASN HA H 1 4.58 . . 1 . . . . . . . . 4879 1 1529 . 1 1 130 130 ASN CB C 13 39.00 . . 1 . . . . . . . . 4879 1 1530 . 1 1 130 130 ASN HB2 H 1 2.43 . . 1 . . . . . . . . 4879 1 1531 . 1 1 130 130 ASN HB3 H 1 3.10 . . 1 . . . . . . . . 4879 1 1532 . 1 1 130 130 ASN ND2 N 15 113.34 . . 1 . . . . . . . . 4879 1 1533 . 1 1 130 130 ASN HD21 H 1 6.78 . . 1 . . . . . . . . 4879 1 1534 . 1 1 130 130 ASN HD22 H 1 7.73 . . 1 . . . . . . . . 4879 1 1535 . 1 1 130 130 ASN C C 13 174.82 . . 1 . . . . . . . . 4879 1 1536 . 1 1 131 131 GLU N N 15 123.78 . . 1 . . . . . . . . 4879 1 1537 . 1 1 131 131 GLU H H 1 8.76 . . 1 . . . . . . . . 4879 1 1538 . 1 1 131 131 GLU CA C 13 58.42 . . 1 . . . . . . . . 4879 1 1539 . 1 1 131 131 GLU HA H 1 3.78 . . 1 . . . . . . . . 4879 1 1540 . 1 1 131 131 GLU CB C 13 29.34 . . 1 . . . . . . . . 4879 1 1541 . 1 1 131 131 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4879 1 1542 . 1 1 131 131 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4879 1 1543 . 1 1 131 131 GLU CG C 13 36.21 . . 1 . . . . . . . . 4879 1 1544 . 1 1 131 131 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4879 1 1545 . 1 1 131 131 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 4879 1 1546 . 1 1 131 131 GLU C C 13 177.71 . . 1 . . . . . . . . 4879 1 1547 . 1 1 132 132 LYS N N 15 118.38 . . 1 . . . . . . . . 4879 1 1548 . 1 1 132 132 LYS H H 1 8.12 . . 1 . . . . . . . . 4879 1 1549 . 1 1 132 132 LYS CA C 13 58.51 . . 1 . . . . . . . . 4879 1 1550 . 1 1 132 132 LYS HA H 1 4.12 . . 1 . . . . . . . . 4879 1 1551 . 1 1 132 132 LYS CB C 13 32.19 . . 1 . . . . . . . . 4879 1 1552 . 1 1 132 132 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 4879 1 1553 . 1 1 132 132 LYS HB3 H 1 1.96 . . 2 . . . . . . . . 4879 1 1554 . 1 1 132 132 LYS CG C 13 24.99 . . 1 . . . . . . . . 4879 1 1555 . 1 1 132 132 LYS CD C 13 28.84 . . 1 . . . . . . . . 4879 1 1556 . 1 1 132 132 LYS CE C 13 42.45 . . 1 . . . . . . . . 4879 1 1557 . 1 1 132 132 LYS C C 13 178.44 . . 1 . . . . . . . . 4879 1 1558 . 1 1 133 133 THR N N 15 106.52 . . 1 . . . . . . . . 4879 1 1559 . 1 1 133 133 THR H H 1 7.07 . . 1 . . . . . . . . 4879 1 1560 . 1 1 133 133 THR CA C 13 61.44 . . 1 . . . . . . . . 4879 1 1561 . 1 1 133 133 THR HA H 1 4.23 . . 1 . . . . . . . . 4879 1 1562 . 1 1 133 133 THR CB C 13 69.73 . . 1 . . . . . . . . 4879 1 1563 . 1 1 133 133 THR HB H 1 4.17 . . 1 . . . . . . . . 4879 1 1564 . 1 1 133 133 THR CG2 C 13 22.05 . . 1 . . . . . . . . 4879 1 1565 . 1 1 133 133 THR HG21 H 1 1.02 . . 1 . . . . . . . . 4879 1 1566 . 1 1 133 133 THR HG22 H 1 1.02 . . 1 . . . . . . . . 4879 1 1567 . 1 1 133 133 THR HG23 H 1 1.02 . . 1 . . . . . . . . 4879 1 1568 . 1 1 133 133 THR C C 13 176.43 . . 1 . . . . . . . . 4879 1 1569 . 1 1 134 134 GLY N N 15 112.13 . . 1 . . . . . . . . 4879 1 1570 . 1 1 134 134 GLY H H 1 8.27 . . 1 . . . . . . . . 4879 1 1571 . 1 1 134 134 GLY CA C 13 46.13 . . 1 . . . . . . . . 4879 1 1572 . 1 1 134 134 GLY HA2 H 1 3.50 . . 1 . . . . . . . . 4879 1 1573 . 1 1 134 134 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 4879 1 1574 . 1 1 134 134 GLY C C 13 173.74 . . 1 . . . . . . . . 4879 1 1575 . 1 1 135 135 VAL N N 15 115.66 . . 1 . . . . . . . . 4879 1 1576 . 1 1 135 135 VAL H H 1 6.67 . . 1 . . . . . . . . 4879 1 1577 . 1 1 135 135 VAL CA C 13 60.10 . . 1 . . . . . . . . 4879 1 1578 . 1 1 135 135 VAL HA H 1 4.29 . . 1 . . . . . . . . 4879 1 1579 . 1 1 135 135 VAL CB C 13 35.38 . . 1 . . . . . . . . 4879 1 1580 . 1 1 135 135 VAL HB H 1 1.92 . . 1 . . . . . . . . 4879 1 1581 . 1 1 135 135 VAL CG1 C 13 21.15 . . 1 . . . . . . . . 4879 1 1582 . 1 1 135 135 VAL HG11 H 1 0.78 . . 1 . . . . . . . . 4879 1 1583 . 1 1 135 135 VAL HG12 H 1 0.78 . . 1 . . . . . . . . 4879 1 1584 . 1 1 135 135 VAL HG13 H 1 0.78 . . 1 . . . . . . . . 4879 1 1585 . 1 1 135 135 VAL CG2 C 13 20.22 . . 1 . . . . . . . . 4879 1 1586 . 1 1 135 135 VAL HG21 H 1 0.70 . . 1 . . . . . . . . 4879 1 1587 . 1 1 135 135 VAL HG22 H 1 0.70 . . 1 . . . . . . . . 4879 1 1588 . 1 1 135 135 VAL HG23 H 1 0.70 . . 1 . . . . . . . . 4879 1 1589 . 1 1 135 135 VAL C C 13 174.85 . . 1 . . . . . . . . 4879 1 1590 . 1 1 136 136 TRP N N 15 124.97 . . 1 . . . . . . . . 4879 1 1591 . 1 1 136 136 TRP H H 1 8.32 . . 1 . . . . . . . . 4879 1 1592 . 1 1 136 136 TRP CA C 13 60.01 . . 1 . . . . . . . . 4879 1 1593 . 1 1 136 136 TRP HA H 1 4.44 . . 1 . . . . . . . . 4879 1 1594 . 1 1 136 136 TRP CB C 13 28.45 . . 2 . . . . . . . . 4879 1 1595 . 1 1 136 136 TRP HB2 H 1 3.16 . . 2 . . . . . . . . 4879 1 1596 . 1 1 136 136 TRP HB3 H 1 3.05 . . 2 . . . . . . . . 4879 1 1597 . 1 1 136 136 TRP CD1 C 13 128.53 . . 1 . . . . . . . . 4879 1 1598 . 1 1 136 136 TRP HD1 H 1 7.46 . . 1 . . . . . . . . 4879 1 1599 . 1 1 136 136 TRP NE1 N 15 130.05 . . 1 . . . . . . . . 4879 1 1600 . 1 1 136 136 TRP HE1 H 1 10.22 . . 1 . . . . . . . . 4879 1 1601 . 1 1 136 136 TRP CE3 C 13 120.42 . . 1 . . . . . . . . 4879 1 1602 . 1 1 136 136 TRP HE3 H 1 7.32 . . 1 . . . . . . . . 4879 1 1603 . 1 1 136 136 TRP CZ2 C 13 114.74 . . 1 . . . . . . . . 4879 1 1604 . 1 1 136 136 TRP HZ2 H 1 6.60 . . 1 . . . . . . . . 4879 1 1605 . 1 1 136 136 TRP CZ3 C 13 122.35 . . 1 . . . . . . . . 4879 1 1606 . 1 1 136 136 TRP HZ3 H 1 7.29 . . 1 . . . . . . . . 4879 1 1607 . 1 1 136 136 TRP CH2 C 13 123.98 . . 2 . . . . . . . . 4879 1 1608 . 1 1 136 136 TRP HH2 H 1 6.88 . . 2 . . . . . . . . 4879 1 1609 . 1 1 136 136 TRP C C 13 175.91 . . 1 . . . . . . . . 4879 1 1610 . 1 1 137 137 GLU N N 15 124.96 . . 1 . . . . . . . . 4879 1 1611 . 1 1 137 137 GLU H H 1 8.32 . . 1 . . . . . . . . 4879 1 1612 . 1 1 137 137 GLU CA C 13 57.00 . . 1 . . . . . . . . 4879 1 1613 . 1 1 137 137 GLU HA H 1 4.43 . . 1 . . . . . . . . 4879 1 1614 . 1 1 137 137 GLU CB C 13 28.25 . . 1 . . . . . . . . 4879 1 1615 . 1 1 137 137 GLU HB2 H 1 2.43 . . 2 . . . . . . . . 4879 1 1616 . 1 1 137 137 GLU HB3 H 1 2.74 . . 2 . . . . . . . . 4879 1 1617 . 1 1 137 137 GLU CG C 13 40.20 . . 1 . . . . . . . . 4879 1 1618 . 1 1 137 137 GLU C C 13 175.84 . . 1 . . . . . . . . 4879 1 1619 . 1 1 138 138 LYS N N 15 123.64 . . 1 . . . . . . . . 4879 1 1620 . 1 1 138 138 LYS H H 1 8.58 . . 1 . . . . . . . . 4879 1 1621 . 1 1 138 138 LYS CA C 13 59.76 . . 1 . . . . . . . . 4879 1 1622 . 1 1 138 138 LYS HA H 1 4.09 . . 1 . . . . . . . . 4879 1 1623 . 1 1 138 138 LYS CB C 13 29.76 . . 1 . . . . . . . . 4879 1 1624 . 1 1 138 138 LYS HB2 H 1 2.31 . . 1 . . . . . . . . 4879 1 1625 . 1 1 138 138 LYS HB3 H 1 2.17 . . 1 . . . . . . . . 4879 1 1626 . 1 1 138 138 LYS HG2 H 1 2.21 . . 2 . . . . . . . . 4879 1 1627 . 1 1 138 138 LYS C C 13 177.52 . . 1 . . . . . . . . 4879 1 1628 . 1 1 139 139 ARG N N 15 119.83 . . 1 . . . . . . . . 4879 1 1629 . 1 1 139 139 ARG H H 1 8.21 . . 1 . . . . . . . . 4879 1 1630 . 1 1 139 139 ARG CA C 13 55.66 . . 1 . . . . . . . . 4879 1 1631 . 1 1 139 139 ARG HA H 1 4.78 . . 1 . . . . . . . . 4879 1 1632 . 1 1 139 139 ARG CB C 13 33.95 . . 1 . . . . . . . . 4879 1 1633 . 1 1 139 139 ARG HB2 H 1 1.63 . . 1 . . . . . . . . 4879 1 1634 . 1 1 139 139 ARG HB3 H 1 1.72 . . 1 . . . . . . . . 4879 1 1635 . 1 1 139 139 ARG C C 13 175.22 . . 1 . . . . . . . . 4879 1 1636 . 1 1 140 140 LYS N N 15 124.42 . . 1 . . . . . . . . 4879 1 1637 . 1 1 140 140 LYS H H 1 8.32 . . 1 . . . . . . . . 4879 1 1638 . 1 1 140 140 LYS CA C 13 54.82 . . 1 . . . . . . . . 4879 1 1639 . 1 1 140 140 LYS HA H 1 5.62 . . 1 . . . . . . . . 4879 1 1640 . 1 1 140 140 LYS CB C 13 36.30 . . 1 . . . . . . . . 4879 1 1641 . 1 1 140 140 LYS HB2 H 1 1.80 . . 1 . . . . . . . . 4879 1 1642 . 1 1 140 140 LYS HB3 H 1 1.35 . . 1 . . . . . . . . 4879 1 1643 . 1 1 140 140 LYS CG C 13 26.68 . . 1 . . . . . . . . 4879 1 1644 . 1 1 140 140 LYS HG2 H 1 1.78 . . 1 . . . . . . . . 4879 1 1645 . 1 1 140 140 LYS HG3 H 1 1.81 . . 1 . . . . . . . . 4879 1 1646 . 1 1 140 140 LYS CE C 13 44.76 . . 1 . . . . . . . . 4879 1 1647 . 1 1 140 140 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4879 1 1648 . 1 1 140 140 LYS HE3 H 1 3.55 . . 1 . . . . . . . . 4879 1 1649 . 1 1 140 140 LYS C C 13 174.76 . . 1 . . . . . . . . 4879 1 1650 . 1 1 141 141 ILE N N 15 118.59 . . 1 . . . . . . . . 4879 1 1651 . 1 1 141 141 ILE H H 1 8.91 . . 1 . . . . . . . . 4879 1 1652 . 1 1 141 141 ILE CA C 13 59.09 . . 1 . . . . . . . . 4879 1 1653 . 1 1 141 141 ILE HA H 1 5.40 . . 1 . . . . . . . . 4879 1 1654 . 1 1 141 141 ILE CB C 13 40.36 . . 1 . . . . . . . . 4879 1 1655 . 1 1 141 141 ILE HB H 1 1.64 . . 1 . . . . . . . . 4879 1 1656 . 1 1 141 141 ILE CG1 C 13 26.73 . . 1 . . . . . . . . 4879 1 1657 . 1 1 141 141 ILE HG12 H 1 1.10 . . 1 . . . . . . . . 4879 1 1658 . 1 1 141 141 ILE HG13 H 1 1.32 . . 1 . . . . . . . . 4879 1 1659 . 1 1 141 141 ILE CG2 C 13 18.58 . . 1 . . . . . . . . 4879 1 1660 . 1 1 141 141 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 4879 1 1661 . 1 1 141 141 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 4879 1 1662 . 1 1 141 141 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 4879 1 1663 . 1 1 141 141 ILE CD1 C 13 13.55 . . 1 . . . . . . . . 4879 1 1664 . 1 1 141 141 ILE HD11 H 1 0.61 . . 1 . . . . . . . . 4879 1 1665 . 1 1 141 141 ILE HD12 H 1 0.61 . . 1 . . . . . . . . 4879 1 1666 . 1 1 141 141 ILE HD13 H 1 0.61 . . 1 . . . . . . . . 4879 1 1667 . 1 1 141 141 ILE C C 13 173.91 . . 1 . . . . . . . . 4879 1 1668 . 1 1 142 142 PHE N N 15 125.14 . . 1 . . . . . . . . 4879 1 1669 . 1 1 142 142 PHE H H 1 9.34 . . 1 . . . . . . . . 4879 1 1670 . 1 1 142 142 PHE CA C 13 56.14 . . 1 . . . . . . . . 4879 1 1671 . 1 1 142 142 PHE HA H 1 4.90 . . 1 . . . . . . . . 4879 1 1672 . 1 1 142 142 PHE CB C 13 39.73 . . 1 . . . . . . . . 4879 1 1673 . 1 1 142 142 PHE HB2 H 1 2.92 . . 1 . . . . . . . . 4879 1 1674 . 1 1 142 142 PHE HB3 H 1 3.00 . . 1 . . . . . . . . 4879 1 1675 . 1 1 142 142 PHE CD1 C 13 130.20 . . 1 . . . . . . . . 4879 1 1676 . 1 1 142 142 PHE HD1 H 1 6.92 . . 1 . . . . . . . . 4879 1 1677 . 1 1 142 142 PHE CD2 C 13 130.20 . . 1 . . . . . . . . 4879 1 1678 . 1 1 142 142 PHE HD2 H 1 6.92 . . 1 . . . . . . . . 4879 1 1679 . 1 1 142 142 PHE CE1 C 13 130.73 . . 1 . . . . . . . . 4879 1 1680 . 1 1 142 142 PHE HE1 H 1 7.30 . . 1 . . . . . . . . 4879 1 1681 . 1 1 142 142 PHE CE2 C 13 130.73 . . 1 . . . . . . . . 4879 1 1682 . 1 1 142 142 PHE HE2 H 1 7.30 . . 1 . . . . . . . . 4879 1 1683 . 1 1 142 142 PHE C C 13 174.68 . . 1 . . . . . . . . 4879 1 1684 . 1 1 143 143 VAL N N 15 123.64 . . 1 . . . . . . . . 4879 1 1685 . 1 1 143 143 VAL H H 1 9.02 . . 1 . . . . . . . . 4879 1 1686 . 1 1 143 143 VAL CA C 13 61.71 . . 1 . . . . . . . . 4879 1 1687 . 1 1 143 143 VAL HA H 1 4.79 . . 1 . . . . . . . . 4879 1 1688 . 1 1 143 143 VAL CB C 13 33.03 . . 1 . . . . . . . . 4879 1 1689 . 1 1 143 143 VAL HB H 1 1.91 . . 1 . . . . . . . . 4879 1 1690 . 1 1 143 143 VAL CG1 C 13 22.08 . . 2 . . . . . . . . 4879 1 1691 . 1 1 143 143 VAL HG11 H 1 0.84 . . 2 . . . . . . . . 4879 1 1692 . 1 1 143 143 VAL HG12 H 1 0.84 . . 2 . . . . . . . . 4879 1 1693 . 1 1 143 143 VAL HG13 H 1 0.84 . . 2 . . . . . . . . 4879 1 1694 . 1 1 143 143 VAL CG2 C 13 21.53 . . 2 . . . . . . . . 4879 1 1695 . 1 1 143 143 VAL HG21 H 1 0.72 . . 2 . . . . . . . . 4879 1 1696 . 1 1 143 143 VAL HG22 H 1 0.72 . . 2 . . . . . . . . 4879 1 1697 . 1 1 143 143 VAL HG23 H 1 0.72 . . 2 . . . . . . . . 4879 1 1698 . 1 1 143 143 VAL C C 13 174.78 . . 1 . . . . . . . . 4879 1 1699 . 1 1 144 144 ALA N N 15 131.79 . . 1 . . . . . . . . 4879 1 1700 . 1 1 144 144 ALA H H 1 9.15 . . 1 . . . . . . . . 4879 1 1701 . 1 1 144 144 ALA CA C 13 50.20 . . 1 . . . . . . . . 4879 1 1702 . 1 1 144 144 ALA HA H 1 5.30 . . 1 . . . . . . . . 4879 1 1703 . 1 1 144 144 ALA CB C 13 22.30 . . 1 . . . . . . . . 4879 1 1704 . 1 1 144 144 ALA HB1 H 1 1.08 . . 1 . . . . . . . . 4879 1 1705 . 1 1 144 144 ALA HB2 H 1 1.08 . . 1 . . . . . . . . 4879 1 1706 . 1 1 144 144 ALA HB3 H 1 1.08 . . 1 . . . . . . . . 4879 1 1707 . 1 1 144 144 ALA C C 13 175.61 . . 1 . . . . . . . . 4879 1 1708 . 1 1 145 145 THR N N 15 117.93 . . 1 . . . . . . . . 4879 1 1709 . 1 1 145 145 THR H H 1 8.61 . . 1 . . . . . . . . 4879 1 1710 . 1 1 145 145 THR CA C 13 62.19 . . 1 . . . . . . . . 4879 1 1711 . 1 1 145 145 THR HA H 1 5.01 . . 1 . . . . . . . . 4879 1 1712 . 1 1 145 145 THR CB C 13 70.71 . . 1 . . . . . . . . 4879 1 1713 . 1 1 145 145 THR HB H 1 4.11 . . 1 . . . . . . . . 4879 1 1714 . 1 1 145 145 THR CG2 C 13 22.03 . . 1 . . . . . . . . 4879 1 1715 . 1 1 145 145 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4879 1 1716 . 1 1 145 145 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4879 1 1717 . 1 1 145 145 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4879 1 1718 . 1 1 145 145 THR C C 13 174.76 . . 1 . . . . . . . . 4879 1 1719 . 1 1 146 146 GLU N N 15 127.55 . . 1 . . . . . . . . 4879 1 1720 . 1 1 146 146 GLU H H 1 9.04 . . 1 . . . . . . . . 4879 1 1721 . 1 1 146 146 GLU CA C 13 57.83 . . 1 . . . . . . . . 4879 1 1722 . 1 1 146 146 GLU HA H 1 4.09 . . 1 . . . . . . . . 4879 1 1723 . 1 1 146 146 GLU CB C 13 30.35 . . 1 . . . . . . . . 4879 1 1724 . 1 1 146 146 GLU HB2 H 1 1.88 . . 1 . . . . . . . . 4879 1 1725 . 1 1 146 146 GLU HB3 H 1 1.88 . . 1 . . . . . . . . 4879 1 1726 . 1 1 146 146 GLU C C 13 175.63 . . 1 . . . . . . . . 4879 1 1727 . 1 1 147 147 VAL N N 15 124.99 . . 1 . . . . . . . . 4879 1 1728 . 1 1 147 147 VAL H H 1 8.15 . . 1 . . . . . . . . 4879 1 1729 . 1 1 147 147 VAL CA C 13 61.52 . . 1 . . . . . . . . 4879 1 1730 . 1 1 147 147 VAL HA H 1 4.21 . . 1 . . . . . . . . 4879 1 1731 . 1 1 147 147 VAL CB C 13 33.53 . . 1 . . . . . . . . 4879 1 1732 . 1 1 147 147 VAL HB H 1 1.84 . . 1 . . . . . . . . 4879 1 1733 . 1 1 147 147 VAL CG1 C 13 21.41 . . 2 . . . . . . . . 4879 1 1734 . 1 1 147 147 VAL HG11 H 1 0.91 . . 2 . . . . . . . . 4879 1 1735 . 1 1 147 147 VAL HG12 H 1 0.91 . . 2 . . . . . . . . 4879 1 1736 . 1 1 147 147 VAL HG13 H 1 0.91 . . 2 . . . . . . . . 4879 1 1737 . 1 1 147 147 VAL CG2 C 13 20.93 . . 1 . . . . . . . . 4879 1 1738 . 1 1 147 147 VAL HG21 H 1 0.75 . . 2 . . . . . . . . 4879 1 1739 . 1 1 147 147 VAL HG22 H 1 0.75 . . 2 . . . . . . . . 4879 1 1740 . 1 1 147 147 VAL HG23 H 1 0.75 . . 2 . . . . . . . . 4879 1 1741 . 1 1 147 147 VAL C C 13 174.65 . . 1 . . . . . . . . 4879 1 1742 . 1 1 148 148 LYS N N 15 130.48 . . 1 . . . . . . . . 4879 1 1743 . 1 1 148 148 LYS H H 1 7.97 . . 1 . . . . . . . . 4879 1 1744 . 1 1 148 148 LYS CA C 13 57.69 . . 1 . . . . . . . . 4879 1 1745 . 1 1 148 148 LYS HA H 1 4.16 . . 1 . . . . . . . . 4879 1 1746 . 1 1 148 148 LYS CB C 13 33.95 . . 1 . . . . . . . . 4879 1 1747 . 1 1 148 148 LYS HB2 H 1 1.67 . . 1 . . . . . . . . 4879 1 1748 . 1 1 148 148 LYS HB3 H 1 1.80 . . 1 . . . . . . . . 4879 1 1749 . 1 1 148 148 LYS CG C 13 25.06 . . 1 . . . . . . . . 4879 1 1750 . 1 1 148 148 LYS HG2 H 1 1.37 . . 1 . . . . . . . . 4879 1 1751 . 1 1 148 148 LYS HG3 H 1 1.48 . . 2 . . . . . . . . 4879 1 1752 . 1 1 148 148 LYS CD C 13 29.20 . . 1 . . . . . . . . 4879 1 1753 . 1 1 148 148 LYS CE C 13 42.52 . . 1 . . . . . . . . 4879 1 1754 . 1 1 148 148 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 4879 1 1755 . 1 1 148 148 LYS C C 13 177.18 . . 1 . . . . . . . . 4879 1 stop_ save_