data_19826 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19826 _Entry.Title ; Solution structure of sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-03 _Entry.Accession_date 2014-03-03 _Entry.Last_release_date 2014-11-17 _Entry.Original_release_date 2014-11-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kristaps Jaudzems . . . 19826 2 Dmitry Zhulenkovs . . . 19826 3 Ainars Leonchiks . . . 19826 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19826 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'HYDROLASE/HYDROLASE INHIBITOR' . 19826 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19826 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 660 19826 '15N chemical shifts' 148 19826 '1H chemical shifts' 1035 19826 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 . . 2014-11-17 2014-03-03 original author . 19826 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MLM 'BMRB Entry Tracking System' 19826 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19826 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25282649 _Citation.Full_citation . _Citation.Title 'Solution structure of sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Bioorg. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Kristaps Jaudzems . . . 19826 1 2 Dmitry Zhulenkovs . . . 19826 1 3 Ainars Leonchiks . . . 19826 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19826 _Assembly.ID 1 _Assembly.Name 'sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 sortase_A 1 $sortase_A A . yes native no no . . . 19826 1 2 inhibitor_2W7 2 $entity_2W7 A . yes native no no . . . 19826 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 CYS 126 126 SG . 2 . 2 2W7 1 1 S2 . . . . . . . . . . 19826 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sortase_A _Entity.Sf_category entity _Entity.Sf_framecode sortase_A _Entity.Entry_ID 19826 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sortase_A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQAKPQIPKDKSKVAGYIEI PDADIKEPVYPGPATPEQLN RGVSFAEENESLDDQNISIA GHTFIDRPNYQFTNLKAAKK GSMVYFKVGNETRKYKMTSI RDVKPTDVEVLDEQKGKDKQ LTLITCDDYNEKTGVWEKRK IFVATEVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 126 (UNK) is a covalently modified cysteine' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16807.176 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16270 . Sortase_A . . . . . 100.00 148 99.32 99.32 3.67e-102 . . . . 19826 1 2 no BMRB 19624 . circular_sortase_A . . . . . 99.32 156 100.00 100.00 2.19e-102 . . . . 19826 1 3 no PDB 1IJA . "Structure Of Sortase" . . . . . 100.00 148 99.32 99.32 3.67e-102 . . . . 19826 1 4 no PDB 1T2O . "Crystal Structure Of Se-Srta, C184-Ala" . . . . . 98.65 146 97.26 97.26 7.23e-97 . . . . 19826 1 5 no PDB 1T2P . "Crystal Structure Of Sortase A From Staphylococcus Aureus" . . . . . 98.65 146 99.32 99.32 2.63e-100 . . . . 19826 1 6 no PDB 1T2W . "Crystal Structure Of Sortase A In Complex With A Lpetg Peptide" . . . . . 97.97 145 98.62 98.62 2.05e-98 . . . . 19826 1 7 no PDB 2KID . "Solution Structure Of The S. Aureus Sortase A-Substrate Complex" . . . . . 100.00 148 99.32 99.32 3.67e-102 . . . . 19826 1 8 no PDB 2MLM . "Solution Structure Of Sortase A From S. Aureus In Complex With Benzo[d]isothiazol-3-one Based Inhibitor" . . . . . 100.00 148 100.00 100.00 2.64e-103 . . . . 19826 1 9 no DBJ BAB43619 . "sortase [Staphylococcus aureus subsp. aureus N315]" . . . . . 99.32 206 100.00 100.00 5.60e-102 . . . . 19826 1 10 no DBJ BAB58690 . "sortase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 99.32 206 100.00 100.00 5.60e-102 . . . . 19826 1 11 no DBJ BAB96313 . "sortase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 99.32 206 100.00 100.00 5.54e-102 . . . . 19826 1 12 no DBJ BAF68698 . "sortase A, peptide LPXTG peptidoglycan transferase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 99.32 206 99.32 99.32 7.86e-101 . . . . 19826 1 13 no DBJ BAF79395 . "sortase [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 99.32 206 100.00 100.00 5.60e-102 . . . . 19826 1 14 no EMBL CAG41587 . "sortase A [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 99.32 206 100.00 100.00 5.60e-102 . . . . 19826 1 15 no EMBL CAG44229 . "sortase A [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 99.32 206 100.00 100.00 5.54e-102 . . . . 19826 1 16 no EMBL CAI82090 . "sortase [Staphylococcus aureus RF122]" . . . . . 99.32 206 97.96 97.96 1.69e-99 . . . . 19826 1 17 no EMBL CAQ50958 . "sortase [Staphylococcus aureus subsp. aureus ST398]" . . . . . 99.32 206 99.32 99.32 4.13e-101 . . . . 19826 1 18 no EMBL CBI50513 . "sortase A [Staphylococcus aureus subsp. aureus TW20]" . . . . . 99.32 206 99.32 99.32 7.86e-101 . . . . 19826 1 19 no GB AAD48437 . "sortase [Staphylococcus aureus]" . . . . . 99.32 206 99.32 99.32 7.86e-101 . . . . 19826 1 20 no GB AAW37316 . "sortase [Staphylococcus aureus subsp. aureus COL]" . . . . . 99.32 206 99.32 99.32 7.86e-101 . . . . 19826 1 21 no GB ABD22861 . "sortase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 99.32 206 99.32 99.32 7.86e-101 . . . . 19826 1 22 no GB ABD31836 . "sortase, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 99.32 206 99.32 99.32 7.86e-101 . . . . 19826 1 23 no GB ABQ50328 . "sortase family protein [Staphylococcus aureus subsp. aureus JH9]" . . . . . 99.32 206 100.00 100.00 5.60e-102 . . . . 19826 1 24 no REF WP_000759357 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 99.32 99.32 3.43e-101 . . . . 19826 1 25 no REF WP_000759358 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 98.64 99.32 5.98e-101 . . . . 19826 1 26 no REF WP_000759359 . "MULTISPECIES: sortase A [Bacteria]" . . . . . 99.32 206 100.00 100.00 5.54e-102 . . . . 19826 1 27 no REF WP_000759360 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 99.32 99.32 3.47e-101 . . . . 19826 1 28 no REF WP_000759361 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 99.32 99.32 7.86e-101 . . . . 19826 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 . 19826 1 2 . GLN . 19826 1 3 . ALA . 19826 1 4 . LYS . 19826 1 5 . PRO . 19826 1 6 . GLN . 19826 1 7 . ILE . 19826 1 8 . PRO . 19826 1 9 . LYS . 19826 1 10 . ASP . 19826 1 11 . LYS . 19826 1 12 . SER . 19826 1 13 . LYS . 19826 1 14 . VAL . 19826 1 15 . ALA . 19826 1 16 . GLY . 19826 1 17 . TYR . 19826 1 18 . ILE . 19826 1 19 . GLU . 19826 1 20 . ILE . 19826 1 21 . PRO . 19826 1 22 . ASP . 19826 1 23 . ALA . 19826 1 24 . ASP . 19826 1 25 . ILE . 19826 1 26 . LYS . 19826 1 27 . GLU . 19826 1 28 . PRO . 19826 1 29 . VAL . 19826 1 30 . TYR . 19826 1 31 . PRO . 19826 1 32 . GLY . 19826 1 33 . PRO . 19826 1 34 . ALA . 19826 1 35 . THR . 19826 1 36 . PRO . 19826 1 37 . GLU . 19826 1 38 . GLN . 19826 1 39 . LEU . 19826 1 40 . ASN . 19826 1 41 . ARG . 19826 1 42 . GLY . 19826 1 43 . VAL . 19826 1 44 . SER . 19826 1 45 . PHE . 19826 1 46 . ALA . 19826 1 47 . GLU . 19826 1 48 . GLU . 19826 1 49 . ASN . 19826 1 50 . GLU . 19826 1 51 . SER . 19826 1 52 . LEU . 19826 1 53 . ASP . 19826 1 54 . ASP . 19826 1 55 . GLN . 19826 1 56 . ASN . 19826 1 57 . ILE . 19826 1 58 . SER . 19826 1 59 . ILE . 19826 1 60 . ALA . 19826 1 61 . GLY . 19826 1 62 . HIS . 19826 1 63 . THR . 19826 1 64 . PHE . 19826 1 65 . ILE . 19826 1 66 . ASP . 19826 1 67 . ARG . 19826 1 68 . PRO . 19826 1 69 . ASN . 19826 1 70 . TYR . 19826 1 71 . GLN . 19826 1 72 . PHE . 19826 1 73 . THR . 19826 1 74 . ASN . 19826 1 75 . LEU . 19826 1 76 . LYS . 19826 1 77 . ALA . 19826 1 78 . ALA . 19826 1 79 . LYS . 19826 1 80 . LYS . 19826 1 81 . GLY . 19826 1 82 . SER . 19826 1 83 . MET . 19826 1 84 . VAL . 19826 1 85 . TYR . 19826 1 86 . PHE . 19826 1 87 . LYS . 19826 1 88 . VAL . 19826 1 89 . GLY . 19826 1 90 . ASN . 19826 1 91 . GLU . 19826 1 92 . THR . 19826 1 93 . ARG . 19826 1 94 . LYS . 19826 1 95 . TYR . 19826 1 96 . LYS . 19826 1 97 . MET . 19826 1 98 . THR . 19826 1 99 . SER . 19826 1 100 . ILE . 19826 1 101 . ARG . 19826 1 102 . ASP . 19826 1 103 . VAL . 19826 1 104 . LYS . 19826 1 105 . PRO . 19826 1 106 . THR . 19826 1 107 . ASP . 19826 1 108 . VAL . 19826 1 109 . GLU . 19826 1 110 . VAL . 19826 1 111 . LEU . 19826 1 112 . ASP . 19826 1 113 . GLU . 19826 1 114 . GLN . 19826 1 115 . LYS . 19826 1 116 . GLY . 19826 1 117 . LYS . 19826 1 118 . ASP . 19826 1 119 . LYS . 19826 1 120 . GLN . 19826 1 121 . LEU . 19826 1 122 . THR . 19826 1 123 . LEU . 19826 1 124 . ILE . 19826 1 125 . THR . 19826 1 126 . CYS . 19826 1 127 . ASP . 19826 1 128 . ASP . 19826 1 129 . TYR . 19826 1 130 . ASN . 19826 1 131 . GLU . 19826 1 132 . LYS . 19826 1 133 . THR . 19826 1 134 . GLY . 19826 1 135 . VAL . 19826 1 136 . TRP . 19826 1 137 . GLU . 19826 1 138 . LYS . 19826 1 139 . ARG . 19826 1 140 . LYS . 19826 1 141 . ILE . 19826 1 142 . PHE . 19826 1 143 . VAL . 19826 1 144 . ALA . 19826 1 145 . THR . 19826 1 146 . GLU . 19826 1 147 . VAL . 19826 1 148 . LYS . 19826 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 19826 1 . GLN 2 2 19826 1 . ALA 3 3 19826 1 . LYS 4 4 19826 1 . PRO 5 5 19826 1 . GLN 6 6 19826 1 . ILE 7 7 19826 1 . PRO 8 8 19826 1 . LYS 9 9 19826 1 . ASP 10 10 19826 1 . LYS 11 11 19826 1 . SER 12 12 19826 1 . LYS 13 13 19826 1 . VAL 14 14 19826 1 . ALA 15 15 19826 1 . GLY 16 16 19826 1 . TYR 17 17 19826 1 . ILE 18 18 19826 1 . GLU 19 19 19826 1 . ILE 20 20 19826 1 . PRO 21 21 19826 1 . ASP 22 22 19826 1 . ALA 23 23 19826 1 . ASP 24 24 19826 1 . ILE 25 25 19826 1 . LYS 26 26 19826 1 . GLU 27 27 19826 1 . PRO 28 28 19826 1 . VAL 29 29 19826 1 . TYR 30 30 19826 1 . PRO 31 31 19826 1 . GLY 32 32 19826 1 . PRO 33 33 19826 1 . ALA 34 34 19826 1 . THR 35 35 19826 1 . PRO 36 36 19826 1 . GLU 37 37 19826 1 . GLN 38 38 19826 1 . LEU 39 39 19826 1 . ASN 40 40 19826 1 . ARG 41 41 19826 1 . GLY 42 42 19826 1 . VAL 43 43 19826 1 . SER 44 44 19826 1 . PHE 45 45 19826 1 . ALA 46 46 19826 1 . GLU 47 47 19826 1 . GLU 48 48 19826 1 . ASN 49 49 19826 1 . GLU 50 50 19826 1 . SER 51 51 19826 1 . LEU 52 52 19826 1 . ASP 53 53 19826 1 . ASP 54 54 19826 1 . GLN 55 55 19826 1 . ASN 56 56 19826 1 . ILE 57 57 19826 1 . SER 58 58 19826 1 . ILE 59 59 19826 1 . ALA 60 60 19826 1 . GLY 61 61 19826 1 . HIS 62 62 19826 1 . THR 63 63 19826 1 . PHE 64 64 19826 1 . ILE 65 65 19826 1 . ASP 66 66 19826 1 . ARG 67 67 19826 1 . PRO 68 68 19826 1 . ASN 69 69 19826 1 . TYR 70 70 19826 1 . GLN 71 71 19826 1 . PHE 72 72 19826 1 . THR 73 73 19826 1 . ASN 74 74 19826 1 . LEU 75 75 19826 1 . LYS 76 76 19826 1 . ALA 77 77 19826 1 . ALA 78 78 19826 1 . LYS 79 79 19826 1 . LYS 80 80 19826 1 . GLY 81 81 19826 1 . SER 82 82 19826 1 . MET 83 83 19826 1 . VAL 84 84 19826 1 . TYR 85 85 19826 1 . PHE 86 86 19826 1 . LYS 87 87 19826 1 . VAL 88 88 19826 1 . GLY 89 89 19826 1 . ASN 90 90 19826 1 . GLU 91 91 19826 1 . THR 92 92 19826 1 . ARG 93 93 19826 1 . LYS 94 94 19826 1 . TYR 95 95 19826 1 . LYS 96 96 19826 1 . MET 97 97 19826 1 . THR 98 98 19826 1 . SER 99 99 19826 1 . ILE 100 100 19826 1 . ARG 101 101 19826 1 . ASP 102 102 19826 1 . VAL 103 103 19826 1 . LYS 104 104 19826 1 . PRO 105 105 19826 1 . THR 106 106 19826 1 . ASP 107 107 19826 1 . VAL 108 108 19826 1 . GLU 109 109 19826 1 . VAL 110 110 19826 1 . LEU 111 111 19826 1 . ASP 112 112 19826 1 . GLU 113 113 19826 1 . GLN 114 114 19826 1 . LYS 115 115 19826 1 . GLY 116 116 19826 1 . LYS 117 117 19826 1 . ASP 118 118 19826 1 . LYS 119 119 19826 1 . GLN 120 120 19826 1 . LEU 121 121 19826 1 . THR 122 122 19826 1 . LEU 123 123 19826 1 . ILE 124 124 19826 1 . THR 125 125 19826 1 . CYS 126 126 19826 1 . ASP 127 127 19826 1 . ASP 128 128 19826 1 . TYR 129 129 19826 1 . ASN 130 130 19826 1 . GLU 131 131 19826 1 . LYS 132 132 19826 1 . THR 133 133 19826 1 . GLY 134 134 19826 1 . VAL 135 135 19826 1 . TRP 136 136 19826 1 . GLU 137 137 19826 1 . LYS 138 138 19826 1 . ARG 139 139 19826 1 . LYS 140 140 19826 1 . ILE 141 141 19826 1 . PHE 142 142 19826 1 . VAL 143 143 19826 1 . ALA 144 144 19826 1 . THR 145 145 19826 1 . GLU 146 146 19826 1 . VAL 147 147 19826 1 . LYS 148 148 19826 1 stop_ save_ save_entity_2W7 _Entity.Sf_category entity _Entity.Sf_framecode entity_2W7 _Entity.Entry_ID 19826 _Entity.ID 2 _Entity.BMRB_code 2W7 _Entity.Name entity_2W7 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 2W7 _Entity.Nonpolymer_comp_label $chem_comp_2W7 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 344.471 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide BMRB 19826 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide BMRB 19826 2 2W7 'Three letter code' 19826 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 2W7 $chem_comp_2W7 19826 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19826 _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_A . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . $citations 19826 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 19826 _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_A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET23a . . . . . $citations 19826 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_2W7 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_2W7 _Chem_comp.Entry_ID 19826 _Chem_comp.ID 2W7 _Chem_comp.Provenance PDB _Chem_comp.Name N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 2W7 _Chem_comp.PDB_code 2W7 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-03-14 _Chem_comp.Modified_date 2014-03-14 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 2W7 _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 24 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19- _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C19 H24 N2 O2 S' _Chem_comp.Formula_weight 344.471 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2MLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S SMILES 'OpenEye OEToolkits' 1.7.6 19826 2W7 c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 19826 2W7 InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19- InChI InChI 1.03 19826 2W7 O=C(c1ccccc1S)NCC(=O)NC24CC3CC(CC(C2)C3)C4 SMILES ACDLabs 12.01 19826 2W7 Sc1ccccc1C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3 SMILES CACTVS 3.370 19826 2W7 Sc1ccccc1C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3 SMILES_CANONICAL CACTVS 3.370 19826 2W7 XDQOSIXIPHKGDJ-KRFSREQESA-N InChIKey InChI 1.03 19826 2W7 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-2-sulfanyl-benzamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 19826 2W7 N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide 'SYSTEMATIC NAME' ACDLabs 12.01 19826 2W7 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID S2 S2 S2 S2 . S . . N 0 . . . 1 no no . . . . 8.008 . 25.896 . 11.670 . -5.686 -1.738 0.024 1 . 19826 2W7 C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 6.716 . 26.953 . 11.138 . -5.284 -0.023 0.010 2 . 19826 2W7 C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 5.405 . 26.479 . 11.171 . -6.294 0.933 0.008 3 . 19826 2W7 C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 6.975 . 28.250 . 10.664 . -3.941 0.387 0.007 4 . 19826 2W7 C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 4.359 . 27.282 . 10.738 . -5.976 2.274 -0.003 5 . 19826 2W7 C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 4.613 . 28.564 . 10.267 . -4.651 2.682 -0.012 6 . 19826 2W7 C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 5.917 . 29.047 . 10.232 . -3.636 1.751 0.001 7 . 19826 2W7 C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 8.270 . 28.781 . 10.638 . -2.859 -0.614 0.009 8 . 19826 2W7 O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 8.898 . 29.000 . 11.679 . -3.129 -1.800 0.014 9 . 19826 2W7 N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 8.731 . 29.083 . 9.415 . -1.572 -0.216 0.006 10 . 19826 2W7 C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 9.886 . 29.977 . 9.225 . -0.497 -1.212 0.009 11 . 19826 2W7 C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 10.987 . 29.273 . 8.432 . 0.837 -0.511 0.005 12 . 19826 2W7 O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 10.721 . 28.439 . 7.570 . 0.885 0.701 -0.000 13 . 19826 2W7 N4 N4 N4 N4 . N . . N 0 . . . 1 no no . . . . 12.234 . 29.656 . 8.744 . 1.977 -1.230 0.006 14 . 19826 2W7 C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 13.352 . 29.383 . 7.828 . 3.273 -0.549 0.002 15 . 19826 2W7 C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . 13.519 . 27.887 . 7.638 . 3.388 0.322 -1.251 16 . 19826 2W7 C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . 14.684 . 27.619 . 6.694 . 4.742 1.033 -1.255 17 . 19826 2W7 C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . 14.408 . 28.270 . 5.345 . 4.860 1.914 -0.009 18 . 19826 2W7 C23 C23 C23 C23 . C . . N 0 . . . 1 no no . . . . 14.245 . 29.770 . 5.539 . 4.745 1.043 1.243 19 . 19826 2W7 C24 C24 C24 C24 . C . . N 0 . . . 1 no no . . . . 13.082 . 30.038 . 6.481 . 3.391 0.332 1.248 20 . 19826 2W7 C25 C25 C25 C25 . C . . N 0 . . . 1 no no . . . . 15.515 . 30.351 . 6.137 . 5.868 0.003 1.246 21 . 19826 2W7 C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . 15.793 . 29.696 . 7.478 . 5.750 -0.877 0.001 22 . 19826 2W7 C26 C26 C26 C26 . C . . N 0 . . . 1 no no . . . . 14.628 . 29.955 . 8.423 . 4.396 -1.589 0.005 23 . 19826 2W7 C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 15.958 . 28.199 . 7.287 . 5.865 -0.007 -1.252 24 . 19826 2W7 H1 H1 H1 H1 . H . . N 0 . . . 1 no yes . . . . 7.356 . 24.827 . 12.018 . -5.761 -2.042 -1.284 25 . 19826 2W7 H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 5.203 . 25.483 . 11.535 . -7.329 0.623 0.014 26 . 19826 2W7 H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 3.346 . 26.909 . 10.767 . -6.764 3.013 -0.005 27 . 19826 2W7 H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 3.798 . 29.186 . 9.928 . -4.413 3.736 -0.021 28 . 19826 2W7 H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 6.110 . 30.045 . 9.868 . -2.605 2.075 -0.005 29 . 19826 2W7 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 8.280 . 28.692 . 8.613 . -1.357 0.730 0.002 30 . 19826 2W7 H122 H122 H122 H122 . H . . N 0 . . . 0 no no . . . . 10.281 . 30.271 . 10.209 . -0.579 -1.832 0.902 31 . 19826 2W7 H121 H121 H121 H121 . H . . N 0 . . . 0 no no . . . . 9.562 . 30.874 . 8.676 . -0.581 -1.839 -0.878 32 . 19826 2W7 H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 12.405 . 30.131 . 9.607 . 1.938 -2.200 0.010 33 . 19826 2W7 HZ12 HZ12 HZ12 HZ12 . H . . N 0 . . . 0 no no . . . . 12.597 . 27.467 . 7.210 . 3.304 -0.306 -2.138 34 . 19826 2W7 HZ11 HZ11 HZ11 HZ11 . H . . N 0 . . . 0 no no . . . . 13.720 . 27.415 . 8.611 . 2.588 1.062 -1.253 35 . 19826 2W7 HY1 HY1 HY1 HY1 . H . . N 0 . . . 1 no no . . . . 14.803 . 26.534 . 6.559 . 4.824 1.653 -2.148 36 . 19826 2W7 HX22 HX22 HX22 HX22 . H . . N 0 . . . 0 no no . . . . 13.485 . 27.852 . 4.916 . 5.825 2.421 -0.013 37 . 19826 2W7 HX21 HX21 HX21 HX21 . H . . N 0 . . . 0 no no . . . . 15.250 . 28.076 . 4.664 . 4.060 2.655 -0.012 38 . 19826 2W7 HY3 HY3 HY3 HY3 . H . . N 0 . . . 1 no no . . . . 14.046 . 30.246 . 4.567 . 4.829 1.671 2.131 39 . 19826 2W7 HZ21 HZ21 HZ21 HZ21 . H . . N 0 . . . 0 no no . . . . 12.966 . 31.123 . 6.619 . 2.591 1.072 1.246 40 . 19826 2W7 HZ22 HZ22 HZ22 HZ22 . H . . N 0 . . . 0 no no . . . . 12.159 . 29.622 . 6.050 . 3.309 -0.289 2.140 41 . 19826 2W7 HX31 HX31 HX31 HX31 . H . . N 0 . . . 0 no no . . . . 16.359 . 30.164 . 5.456 . 6.833 0.510 1.243 42 . 19826 2W7 HX32 HX32 HX32 HX32 . H . . N 0 . . . 0 no no . . . . 15.391 . 31.435 . 6.278 . 5.786 -0.617 2.139 43 . 19826 2W7 HY2 HY2 HY2 HY2 . H . . N 0 . . . 1 no no . . . . 16.714 . 30.116 . 7.908 . 6.550 -1.618 0.003 44 . 19826 2W7 HZ32 HZ32 HZ32 HZ32 . H . . N 0 . . . 0 no no . . . . 14.828 . 29.473 . 9.392 . 4.314 -2.209 0.898 45 . 19826 2W7 HZ31 HZ31 HZ31 HZ31 . H . . N 0 . . . 0 no no . . . . 14.510 . 31.039 . 8.570 . 4.312 -2.216 -0.882 46 . 19826 2W7 HX12 HX12 HX12 HX12 . H . . N 0 . . . 0 no no . . . . 16.158 . 27.725 . 8.259 . 5.781 -0.634 -2.140 47 . 19826 2W7 HX11 HX11 HX11 HX11 . H . . N 0 . . . 0 no no . . . . 16.800 . 28.007 . 6.605 . 6.830 0.500 -1.255 48 . 19826 2W7 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C19 C23 no N 1 . 19826 2W7 2 . SING C19 C17 no N 2 . 19826 2W7 3 . SING C23 C25 no N 3 . 19826 2W7 4 . SING C23 C24 no N 4 . 19826 2W7 5 . SING C25 C20 no N 5 . 19826 2W7 6 . SING C24 C14 no N 6 . 19826 2W7 7 . SING C17 C16 no N 7 . 19826 2W7 8 . SING C17 C18 no N 8 . 19826 2W7 9 . SING C16 C20 no N 9 . 19826 2W7 10 . SING C20 C26 no N 10 . 19826 2W7 11 . DOUB O3 C13 no N 11 . 19826 2W7 12 . SING C18 C14 no N 12 . 19826 2W7 13 . SING C14 C26 no N 13 . 19826 2W7 14 . SING C14 N4 no N 14 . 19826 2W7 15 . SING C13 N4 no N 15 . 19826 2W7 16 . SING C13 C12 no N 16 . 19826 2W7 17 . SING C12 N3 no N 17 . 19826 2W7 18 . SING N3 C11 no N 18 . 19826 2W7 19 . DOUB C9 C8 yes N 19 . 19826 2W7 20 . SING C9 C10 yes N 20 . 19826 2W7 21 . SING C8 C7 yes N 21 . 19826 2W7 22 . SING C11 C10 no N 22 . 19826 2W7 23 . DOUB C11 O2 no N 23 . 19826 2W7 24 . DOUB C10 C5 yes N 24 . 19826 2W7 25 . DOUB C7 C6 yes N 25 . 19826 2W7 26 . SING C5 C6 yes N 26 . 19826 2W7 27 . SING C5 S2 no N 27 . 19826 2W7 28 . SING S2 H1 no N 28 . 19826 2W7 29 . SING C6 H6 no N 29 . 19826 2W7 30 . SING C7 H7 no N 30 . 19826 2W7 31 . SING C8 H8 no N 31 . 19826 2W7 32 . SING C9 H9 no N 32 . 19826 2W7 33 . SING N3 H3 no N 33 . 19826 2W7 34 . SING C12 H122 no N 34 . 19826 2W7 35 . SING C12 H121 no N 35 . 19826 2W7 36 . SING N4 H4 no N 36 . 19826 2W7 37 . SING C18 HZ12 no N 37 . 19826 2W7 38 . SING C18 HZ11 no N 38 . 19826 2W7 39 . SING C17 HY1 no N 39 . 19826 2W7 40 . SING C19 HX22 no N 40 . 19826 2W7 41 . SING C19 HX21 no N 41 . 19826 2W7 42 . SING C23 HY3 no N 42 . 19826 2W7 43 . SING C24 HZ21 no N 43 . 19826 2W7 44 . SING C24 HZ22 no N 44 . 19826 2W7 45 . SING C25 HX31 no N 45 . 19826 2W7 46 . SING C25 HX32 no N 46 . 19826 2W7 47 . SING C20 HY2 no N 47 . 19826 2W7 48 . SING C26 HZ32 no N 48 . 19826 2W7 49 . SING C26 HZ31 no N 49 . 19826 2W7 50 . SING C16 HX12 no N 50 . 19826 2W7 51 . SING C16 HX11 no N 51 . 19826 2W7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19826 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sortase A' '[U-100% 13C; U-100% 15N]' . . 1 $sortase_A . . 1.6 . . mM 0.2 . . . 19826 1 2 N-(adamantan-1-yl)-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-acetamide 'natural abundance' . . . . . . 2.4 . . mM 0.2 . . . 19826 1 3 D2O '[U-100% 2H]' . . . . . . 5.0 . . % 0.5 . . . 19826 1 4 DMSO '[U-100% 2H]' . . . . . . 2.4 . . % 0.2 . . . 19826 1 5 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM 2 . . . 19826 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 19826 1 7 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM 2 . . . 19826 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19826 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.02 M 19826 1 pH 6.0 0.2 pH 19826 1 pressure 1 . atm 19826 1 temperature 298 0.2 K 19826 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19826 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19826 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19826 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19826 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19826 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19826 2 'structure solution' 19826 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19826 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19826 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19826 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19826 _Software.ID 4 _Software.Name VNMRJ _Software.Version 2.1b _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19826 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19826 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19826 _Software.ID 5 _Software.Name CARA _Software.Version 1.9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R. Keller' . . 19826 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19826 5 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19826 _Software.ID 6 _Software.Name UNIO _Software.Version 2.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann, F. Fiorito, J. Volk' . . 19826 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19826 6 'peak picking' 19826 6 'structure solution' 19826 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_Inova_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_Inova_600 _NMR_spectrometer.Entry_ID 19826 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'HCN triple resonance PFG cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19826 _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 Varian_Inova_600 Varian INOVA . 600 'HCN triple resonance PFG cold probe' . . 19826 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 19826 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 7 '3D (F1)-15N,13C-filtered 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 8 '2D (F1,F2)-13C,15N-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 9 '2D (F1,F2)-13C,15N-filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_Inova_600 . . . . . . . . . . . . . . . . 19826 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19826 _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 water protons . . . . ppm 4.77 internal indirect 0.251449530 . . . . . . . . . 19826 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000000000 . . . . . . . . . 19826 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . . . . . 19826 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19826 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19826 1 2 '3D HNCA' . . . 19826 1 3 '3D CBCA(CO)NH' . . . 19826 1 4 '3D 1H-15N NOESY' . . . 19826 1 5 '3D 1H-13C NOESY aliphatic' . . . 19826 1 6 '3D 1H-13C NOESY aromatic' . . . 19826 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $CARA . . 19826 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 HE1 H 1 2.107 0.02 . 1 . . . A 1 MET ME . 19826 1 2 . 1 1 1 1 MET HE2 H 1 2.107 0.02 . 1 . . . A 1 MET ME . 19826 1 3 . 1 1 1 1 MET HE3 H 1 2.107 0.02 . 1 . . . A 1 MET ME . 19826 1 4 . 1 1 1 1 MET CE C 13 16.890 0.4 . 1 . . . A 1 MET CE . 19826 1 5 . 1 1 2 2 GLN HA H 1 4.368 0.02 . 1 . . . A 2 GLN HA . 19826 1 6 . 1 1 2 2 GLN HB2 H 1 1.995 0.02 . 2 . . . A 2 GLN HB2 . 19826 1 7 . 1 1 2 2 GLN HB3 H 1 2.084 0.02 . 2 . . . A 2 GLN HB3 . 19826 1 8 . 1 1 2 2 GLN HG2 H 1 2.072 0.02 . 2 . . . A 2 GLN HG2 . 19826 1 9 . 1 1 2 2 GLN HG3 H 1 2.382 0.02 . 2 . . . A 2 GLN HG3 . 19826 1 10 . 1 1 2 2 GLN C C 13 175.240 0.4 . 1 . . . A 2 GLN C . 19826 1 11 . 1 1 2 2 GLN CA C 13 55.688 0.4 . 1 . . . A 2 GLN CA . 19826 1 12 . 1 1 2 2 GLN CB C 13 29.642 0.4 . 1 . . . A 2 GLN CB . 19826 1 13 . 1 1 2 2 GLN CG C 13 33.827 0.4 . 1 . . . A 2 GLN CG . 19826 1 14 . 1 1 3 3 ALA H H 1 8.499 0.02 . 1 . . . A 3 ALA H . 19826 1 15 . 1 1 3 3 ALA HA H 1 4.311 0.02 . 1 . . . A 3 ALA HA . 19826 1 16 . 1 1 3 3 ALA HB1 H 1 1.366 0.02 . 1 . . . A 3 ALA MB . 19826 1 17 . 1 1 3 3 ALA HB2 H 1 1.366 0.02 . 1 . . . A 3 ALA MB . 19826 1 18 . 1 1 3 3 ALA HB3 H 1 1.366 0.02 . 1 . . . A 3 ALA MB . 19826 1 19 . 1 1 3 3 ALA C C 13 177.330 0.4 . 1 . . . A 3 ALA C . 19826 1 20 . 1 1 3 3 ALA CA C 13 52.309 0.4 . 1 . . . A 3 ALA CA . 19826 1 21 . 1 1 3 3 ALA CB C 13 19.368 0.4 . 1 . . . A 3 ALA CB . 19826 1 22 . 1 1 3 3 ALA N N 15 126.679 0.4 . 1 . . . A 3 ALA N . 19826 1 23 . 1 1 4 4 LYS H H 1 8.319 0.02 . 1 . . . A 4 LYS H . 19826 1 24 . 1 1 4 4 LYS HA H 1 4.563 0.02 . 1 . . . A 4 LYS HA . 19826 1 25 . 1 1 4 4 LYS HB2 H 1 1.680 0.02 . 2 . . . A 4 LYS HB2 . 19826 1 26 . 1 1 4 4 LYS HB3 H 1 1.844 0.02 . 2 . . . A 4 LYS HB3 . 19826 1 27 . 1 1 4 4 LYS HG2 H 1 1.481 0.02 . 2 . . . A 4 LYS HG2 . 19826 1 28 . 1 1 4 4 LYS CA C 13 54.090 0.4 . 1 . . . A 4 LYS CA . 19826 1 29 . 1 1 4 4 LYS CB C 13 32.376 0.4 . 1 . . . A 4 LYS CB . 19826 1 30 . 1 1 4 4 LYS CG C 13 24.831 0.4 . 1 . . . A 4 LYS CG . 19826 1 31 . 1 1 4 4 LYS CD C 13 29.410 0.4 . 1 . . . A 4 LYS CD . 19826 1 32 . 1 1 4 4 LYS CE C 13 41.960 0.4 . 1 . . . A 4 LYS CE . 19826 1 33 . 1 1 4 4 LYS N N 15 122.322 0.4 . 1 . . . A 4 LYS N . 19826 1 34 . 1 1 5 5 PRO HA H 1 4.440 0.02 . 1 . . . A 5 PRO HA . 19826 1 35 . 1 1 5 5 PRO HB2 H 1 1.729 0.02 . 2 . . . A 5 PRO HB2 . 19826 1 36 . 1 1 5 5 PRO HB3 H 1 2.129 0.02 . 2 . . . A 5 PRO HB3 . 19826 1 37 . 1 1 5 5 PRO HG2 H 1 1.894 0.02 . 2 . . . A 5 PRO HG2 . 19826 1 38 . 1 1 5 5 PRO HG3 H 1 1.961 0.02 . 2 . . . A 5 PRO HG3 . 19826 1 39 . 1 1 5 5 PRO HD2 H 1 3.623 0.02 . 2 . . . A 5 PRO HD2 . 19826 1 40 . 1 1 5 5 PRO HD3 H 1 3.825 0.02 . 2 . . . A 5 PRO HD3 . 19826 1 41 . 1 1 5 5 PRO C C 13 175.750 0.4 . 1 . . . A 5 PRO C . 19826 1 42 . 1 1 5 5 PRO CA C 13 63.027 0.4 . 1 . . . A 5 PRO CA . 19826 1 43 . 1 1 5 5 PRO CB C 13 32.097 0.4 . 1 . . . A 5 PRO CB . 19826 1 44 . 1 1 5 5 PRO CG C 13 27.465 0.4 . 1 . . . A 5 PRO CG . 19826 1 45 . 1 1 5 5 PRO CD C 13 50.591 0.4 . 1 . . . A 5 PRO CD . 19826 1 46 . 1 1 6 6 GLN H H 1 8.300 0.02 . 1 . . . A 6 GLN H . 19826 1 47 . 1 1 6 6 GLN HA H 1 4.575 0.02 . 1 . . . A 6 GLN HA . 19826 1 48 . 1 1 6 6 GLN HB2 H 1 2.037 0.02 . 2 . . . A 6 GLN HB2 . 19826 1 49 . 1 1 6 6 GLN HB3 H 1 1.810 0.02 . 2 . . . A 6 GLN HB3 . 19826 1 50 . 1 1 6 6 GLN HG2 H 1 2.301 0.02 . 2 . . . A 6 GLN HG2 . 19826 1 51 . 1 1 6 6 GLN HG3 H 1 2.351 0.02 . 2 . . . A 6 GLN HG3 . 19826 1 52 . 1 1 6 6 GLN HE21 H 1 7.455 0.02 . 2 . . . A 6 GLN HE21 . 19826 1 53 . 1 1 6 6 GLN HE22 H 1 6.891 0.02 . 2 . . . A 6 GLN HE22 . 19826 1 54 . 1 1 6 6 GLN C C 13 175.530 0.4 . 1 . . . A 6 GLN C . 19826 1 55 . 1 1 6 6 GLN CA C 13 54.046 0.4 . 1 . . . A 6 GLN CA . 19826 1 56 . 1 1 6 6 GLN CB C 13 32.079 0.4 . 1 . . . A 6 GLN CB . 19826 1 57 . 1 1 6 6 GLN CG C 13 33.457 0.4 . 1 . . . A 6 GLN CG . 19826 1 58 . 1 1 6 6 GLN N N 15 118.538 0.4 . 1 . . . A 6 GLN N . 19826 1 59 . 1 1 6 6 GLN NE2 N 15 112.600 0.4 . 1 . . . A 6 GLN NE2 . 19826 1 60 . 1 1 7 7 ILE H H 1 8.583 0.02 . 1 . . . A 7 ILE H . 19826 1 61 . 1 1 7 7 ILE HA H 1 4.251 0.02 . 1 . . . A 7 ILE HA . 19826 1 62 . 1 1 7 7 ILE HB H 1 1.721 0.02 . 1 . . . A 7 ILE HB . 19826 1 63 . 1 1 7 7 ILE HG12 H 1 0.672 0.02 . 2 . . . A 7 ILE HG12 . 19826 1 64 . 1 1 7 7 ILE HG13 H 1 1.614 0.02 . 2 . . . A 7 ILE HG13 . 19826 1 65 . 1 1 7 7 ILE HG21 H 1 1.070 0.02 . 1 . . . A 7 ILE MG . 19826 1 66 . 1 1 7 7 ILE HG22 H 1 1.070 0.02 . 1 . . . A 7 ILE MG . 19826 1 67 . 1 1 7 7 ILE HG23 H 1 1.070 0.02 . 1 . . . A 7 ILE MG . 19826 1 68 . 1 1 7 7 ILE HD11 H 1 0.142 0.02 . 1 . . . A 7 ILE MD . 19826 1 69 . 1 1 7 7 ILE HD12 H 1 0.142 0.02 . 1 . . . A 7 ILE MD . 19826 1 70 . 1 1 7 7 ILE HD13 H 1 0.142 0.02 . 1 . . . A 7 ILE MD . 19826 1 71 . 1 1 7 7 ILE CA C 13 60.105 0.4 . 1 . . . A 7 ILE CA . 19826 1 72 . 1 1 7 7 ILE CB C 13 38.994 0.4 . 1 . . . A 7 ILE CB . 19826 1 73 . 1 1 7 7 ILE CG1 C 13 28.905 0.4 . 1 . . . A 7 ILE CG1 . 19826 1 74 . 1 1 7 7 ILE CG2 C 13 16.795 0.4 . 1 . . . A 7 ILE CG2 . 19826 1 75 . 1 1 7 7 ILE CD1 C 13 12.153 0.4 . 1 . . . A 7 ILE CD1 . 19826 1 76 . 1 1 7 7 ILE N N 15 125.023 0.4 . 1 . . . A 7 ILE N . 19826 1 77 . 1 1 8 8 PRO HA H 1 4.259 0.02 . 1 . . . A 8 PRO HA . 19826 1 78 . 1 1 8 8 PRO HB2 H 1 2.014 0.02 . 2 . . . A 8 PRO HB2 . 19826 1 79 . 1 1 8 8 PRO HB3 H 1 2.376 0.02 . 2 . . . A 8 PRO HB3 . 19826 1 80 . 1 1 8 8 PRO HG2 H 1 2.004 0.02 . 2 . . . A 8 PRO HG2 . 19826 1 81 . 1 1 8 8 PRO HG3 H 1 2.176 0.02 . 2 . . . A 8 PRO HG3 . 19826 1 82 . 1 1 8 8 PRO HD2 H 1 3.904 0.02 . 2 . . . A 8 PRO HD2 . 19826 1 83 . 1 1 8 8 PRO C C 13 176.970 0.4 . 1 . . . A 8 PRO C . 19826 1 84 . 1 1 8 8 PRO CA C 13 64.933 0.4 . 1 . . . A 8 PRO CA . 19826 1 85 . 1 1 8 8 PRO CB C 13 32.197 0.4 . 1 . . . A 8 PRO CB . 19826 1 86 . 1 1 8 8 PRO CG C 13 28.070 0.4 . 1 . . . A 8 PRO CG . 19826 1 87 . 1 1 8 8 PRO CD C 13 50.611 0.4 . 1 . . . A 8 PRO CD . 19826 1 88 . 1 1 9 9 LYS H H 1 8.225 0.02 . 1 . . . A 9 LYS H . 19826 1 89 . 1 1 9 9 LYS HA H 1 4.270 0.02 . 1 . . . A 9 LYS HA . 19826 1 90 . 1 1 9 9 LYS HB2 H 1 1.778 0.02 . 2 . . . A 9 LYS HB2 . 19826 1 91 . 1 1 9 9 LYS HB3 H 1 1.907 0.02 . 2 . . . A 9 LYS HB3 . 19826 1 92 . 1 1 9 9 LYS HG2 H 1 1.517 0.02 . 2 . . . A 9 LYS HG2 . 19826 1 93 . 1 1 9 9 LYS HG3 H 1 1.582 0.02 . 2 . . . A 9 LYS HG3 . 19826 1 94 . 1 1 9 9 LYS HD2 H 1 1.717 0.02 . 2 . . . A 9 LYS HD2 . 19826 1 95 . 1 1 9 9 LYS HE2 H 1 3.039 0.02 . 2 . . . A 9 LYS HE2 . 19826 1 96 . 1 1 9 9 LYS HE3 H 1 3.039 0.02 . 2 . . . A 9 LYS HE3 . 19826 1 97 . 1 1 9 9 LYS C C 13 177.250 0.4 . 1 . . . A 9 LYS C . 19826 1 98 . 1 1 9 9 LYS CA C 13 56.435 0.4 . 1 . . . A 9 LYS CA . 19826 1 99 . 1 1 9 9 LYS CB C 13 32.530 0.4 . 1 . . . A 9 LYS CB . 19826 1 100 . 1 1 9 9 LYS CG C 13 25.044 0.4 . 1 . . . A 9 LYS CG . 19826 1 101 . 1 1 9 9 LYS CD C 13 28.668 0.4 . 1 . . . A 9 LYS CD . 19826 1 102 . 1 1 9 9 LYS CE C 13 42.156 0.4 . 1 . . . A 9 LYS CE . 19826 1 103 . 1 1 9 9 LYS N N 15 119.660 0.4 . 1 . . . A 9 LYS N . 19826 1 104 . 1 1 10 10 ASP H H 1 7.431 0.02 . 1 . . . A 10 ASP H . 19826 1 105 . 1 1 10 10 ASP HA H 1 4.604 0.02 . 1 . . . A 10 ASP HA . 19826 1 106 . 1 1 10 10 ASP HB2 H 1 2.815 0.02 . 2 . . . A 10 ASP HB2 . 19826 1 107 . 1 1 10 10 ASP HB3 H 1 2.631 0.02 . 2 . . . A 10 ASP HB3 . 19826 1 108 . 1 1 10 10 ASP C C 13 176.650 0.4 . 1 . . . A 10 ASP C . 19826 1 109 . 1 1 10 10 ASP CA C 13 53.190 0.4 . 1 . . . A 10 ASP CA . 19826 1 110 . 1 1 10 10 ASP CB C 13 41.349 0.4 . 1 . . . A 10 ASP CB . 19826 1 111 . 1 1 10 10 ASP N N 15 118.815 0.4 . 1 . . . A 10 ASP N . 19826 1 112 . 1 1 11 11 LYS H H 1 8.493 0.02 . 1 . . . A 11 LYS H . 19826 1 113 . 1 1 11 11 LYS HA H 1 3.907 0.02 . 1 . . . A 11 LYS HA . 19826 1 114 . 1 1 11 11 LYS HB2 H 1 1.785 0.02 . 2 . . . A 11 LYS HB2 . 19826 1 115 . 1 1 11 11 LYS HB3 H 1 2.099 0.02 . 2 . . . A 11 LYS HB3 . 19826 1 116 . 1 1 11 11 LYS HG2 H 1 1.515 0.02 . 2 . . . A 11 LYS HG2 . 19826 1 117 . 1 1 11 11 LYS HG3 H 1 1.659 0.02 . 2 . . . A 11 LYS HG3 . 19826 1 118 . 1 1 11 11 LYS HD2 H 1 1.660 0.02 . 2 . . . A 11 LYS HD2 . 19826 1 119 . 1 1 11 11 LYS HD3 H 1 1.606 0.02 . 2 . . . A 11 LYS HD3 . 19826 1 120 . 1 1 11 11 LYS HE2 H 1 3.149 0.02 . 2 . . . A 11 LYS HE2 . 19826 1 121 . 1 1 11 11 LYS HE3 H 1 3.112 0.02 . 2 . . . A 11 LYS HE3 . 19826 1 122 . 1 1 11 11 LYS C C 13 175.770 0.4 . 1 . . . A 11 LYS C . 19826 1 123 . 1 1 11 11 LYS CA C 13 58.103 0.4 . 1 . . . A 11 LYS CA . 19826 1 124 . 1 1 11 11 LYS CB C 13 31.758 0.4 . 1 . . . A 11 LYS CB . 19826 1 125 . 1 1 11 11 LYS CG C 13 25.750 0.4 . 1 . . . A 11 LYS CG . 19826 1 126 . 1 1 11 11 LYS CD C 13 29.037 0.4 . 1 . . . A 11 LYS CD . 19826 1 127 . 1 1 11 11 LYS CE C 13 42.365 0.4 . 1 . . . A 11 LYS CE . 19826 1 128 . 1 1 11 11 LYS N N 15 124.165 0.4 . 1 . . . A 11 LYS N . 19826 1 129 . 1 1 12 12 SER H H 1 8.678 0.02 . 1 . . . A 12 SER H . 19826 1 130 . 1 1 12 12 SER HA H 1 4.303 0.02 . 1 . . . A 12 SER HA . 19826 1 131 . 1 1 12 12 SER HB2 H 1 3.784 0.02 . 2 . . . A 12 SER HB2 . 19826 1 132 . 1 1 12 12 SER HB3 H 1 4.087 0.02 . 2 . . . A 12 SER HB3 . 19826 1 133 . 1 1 12 12 SER C C 13 174.080 0.4 . 1 . . . A 12 SER C . 19826 1 134 . 1 1 12 12 SER CA C 13 58.527 0.4 . 1 . . . A 12 SER CA . 19826 1 135 . 1 1 12 12 SER CB C 13 64.762 0.4 . 1 . . . A 12 SER CB . 19826 1 136 . 1 1 12 12 SER N N 15 111.394 0.4 . 1 . . . A 12 SER N . 19826 1 137 . 1 1 13 13 LYS H H 1 7.620 0.02 . 1 . . . A 13 LYS H . 19826 1 138 . 1 1 13 13 LYS HA H 1 4.517 0.02 . 1 . . . A 13 LYS HA . 19826 1 139 . 1 1 13 13 LYS HB2 H 1 1.833 0.02 . 2 . . . A 13 LYS HB2 . 19826 1 140 . 1 1 13 13 LYS HG2 H 1 1.474 0.02 . 2 . . . A 13 LYS HG2 . 19826 1 141 . 1 1 13 13 LYS HG3 H 1 1.340 0.02 . 2 . . . A 13 LYS HG3 . 19826 1 142 . 1 1 13 13 LYS HD2 H 1 1.712 0.02 . 2 . . . A 13 LYS HD2 . 19826 1 143 . 1 1 13 13 LYS HE2 H 1 3.035 0.02 . 2 . . . A 13 LYS HE2 . 19826 1 144 . 1 1 13 13 LYS HE3 H 1 3.035 0.02 . 2 . . . A 13 LYS HE3 . 19826 1 145 . 1 1 13 13 LYS C C 13 174.050 0.4 . 1 . . . A 13 LYS C . 19826 1 146 . 1 1 13 13 LYS CA C 13 54.713 0.4 . 1 . . . A 13 LYS CA . 19826 1 147 . 1 1 13 13 LYS CB C 13 33.820 0.4 . 1 . . . A 13 LYS CB . 19826 1 148 . 1 1 13 13 LYS CG C 13 25.188 0.4 . 1 . . . A 13 LYS CG . 19826 1 149 . 1 1 13 13 LYS CD C 13 28.941 0.4 . 1 . . . A 13 LYS CD . 19826 1 150 . 1 1 13 13 LYS CE C 13 42.152 0.4 . 1 . . . A 13 LYS CE . 19826 1 151 . 1 1 13 13 LYS N N 15 124.407 0.4 . 1 . . . A 13 LYS N . 19826 1 152 . 1 1 14 14 VAL H H 1 7.821 0.02 . 1 . . . A 14 VAL H . 19826 1 153 . 1 1 14 14 VAL HA H 1 2.900 0.02 . 1 . . . A 14 VAL HA . 19826 1 154 . 1 1 14 14 VAL HB H 1 1.719 0.02 . 1 . . . A 14 VAL HB . 19826 1 155 . 1 1 14 14 VAL HG11 H 1 0.682 0.02 . 2 . . . A 14 VAL MG1 . 19826 1 156 . 1 1 14 14 VAL HG12 H 1 0.682 0.02 . 2 . . . A 14 VAL MG1 . 19826 1 157 . 1 1 14 14 VAL HG13 H 1 0.682 0.02 . 2 . . . A 14 VAL MG1 . 19826 1 158 . 1 1 14 14 VAL HG21 H 1 0.507 0.02 . 2 . . . A 14 VAL MG2 . 19826 1 159 . 1 1 14 14 VAL HG22 H 1 0.507 0.02 . 2 . . . A 14 VAL MG2 . 19826 1 160 . 1 1 14 14 VAL HG23 H 1 0.507 0.02 . 2 . . . A 14 VAL MG2 . 19826 1 161 . 1 1 14 14 VAL C C 13 176.720 0.4 . 1 . . . A 14 VAL C . 19826 1 162 . 1 1 14 14 VAL CA C 13 63.991 0.4 . 1 . . . A 14 VAL CA . 19826 1 163 . 1 1 14 14 VAL CB C 13 32.697 0.4 . 1 . . . A 14 VAL CB . 19826 1 164 . 1 1 14 14 VAL CG1 C 13 23.115 0.4 . 2 . . . A 14 VAL CG1 . 19826 1 165 . 1 1 14 14 VAL CG2 C 13 22.275 0.4 . 2 . . . A 14 VAL CG2 . 19826 1 166 . 1 1 14 14 VAL N N 15 119.792 0.4 . 1 . . . A 14 VAL N . 19826 1 167 . 1 1 15 15 ALA H H 1 9.307 0.02 . 1 . . . A 15 ALA H . 19826 1 168 . 1 1 15 15 ALA HA H 1 4.401 0.02 . 1 . . . A 15 ALA HA . 19826 1 169 . 1 1 15 15 ALA HB1 H 1 1.449 0.02 . 1 . . . A 15 ALA MB . 19826 1 170 . 1 1 15 15 ALA HB2 H 1 1.449 0.02 . 1 . . . A 15 ALA MB . 19826 1 171 . 1 1 15 15 ALA HB3 H 1 1.449 0.02 . 1 . . . A 15 ALA MB . 19826 1 172 . 1 1 15 15 ALA C C 13 176.960 0.4 . 1 . . . A 15 ALA C . 19826 1 173 . 1 1 15 15 ALA CA C 13 52.340 0.4 . 1 . . . A 15 ALA CA . 19826 1 174 . 1 1 15 15 ALA CB C 13 21.979 0.4 . 1 . . . A 15 ALA CB . 19826 1 175 . 1 1 15 15 ALA N N 15 128.347 0.4 . 1 . . . A 15 ALA N . 19826 1 176 . 1 1 16 16 GLY H H 1 7.405 0.02 . 1 . . . A 16 GLY H . 19826 1 177 . 1 1 16 16 GLY HA2 H 1 4.030 0.02 . 2 . . . A 16 GLY HA2 . 19826 1 178 . 1 1 16 16 GLY HA3 H 1 4.157 0.02 . 2 . . . A 16 GLY HA3 . 19826 1 179 . 1 1 16 16 GLY C C 13 170.170 0.4 . 1 . . . A 16 GLY C . 19826 1 180 . 1 1 16 16 GLY CA C 13 45.522 0.4 . 1 . . . A 16 GLY CA . 19826 1 181 . 1 1 16 16 GLY N N 15 104.404 0.4 . 1 . . . A 16 GLY N . 19826 1 182 . 1 1 17 17 TYR H H 1 8.917 0.02 . 1 . . . A 17 TYR H . 19826 1 183 . 1 1 17 17 TYR HA H 1 5.285 0.02 . 1 . . . A 17 TYR HA . 19826 1 184 . 1 1 17 17 TYR HB2 H 1 2.706 0.02 . 2 . . . A 17 TYR HB2 . 19826 1 185 . 1 1 17 17 TYR HB3 H 1 2.812 0.02 . 2 . . . A 17 TYR HB3 . 19826 1 186 . 1 1 17 17 TYR HD1 H 1 6.847 0.02 . 3 . . . A 17 TYR HD1 . 19826 1 187 . 1 1 17 17 TYR HD2 H 1 6.847 0.02 . 3 . . . A 17 TYR HD2 . 19826 1 188 . 1 1 17 17 TYR HE1 H 1 6.705 0.02 . 3 . . . A 17 TYR HE1 . 19826 1 189 . 1 1 17 17 TYR HE2 H 1 6.705 0.02 . 3 . . . A 17 TYR HE2 . 19826 1 190 . 1 1 17 17 TYR C C 13 174.370 0.4 . 1 . . . A 17 TYR C . 19826 1 191 . 1 1 17 17 TYR CA C 13 57.439 0.4 . 1 . . . A 17 TYR CA . 19826 1 192 . 1 1 17 17 TYR CB C 13 42.924 0.4 . 1 . . . A 17 TYR CB . 19826 1 193 . 1 1 17 17 TYR CD1 C 13 133.193 0.4 . 3 . . . A 17 TYR CD1 . 19826 1 194 . 1 1 17 17 TYR CD2 C 13 133.193 0.4 . 3 . . . A 17 TYR CD2 . 19826 1 195 . 1 1 17 17 TYR CE1 C 13 118.224 0.4 . 3 . . . A 17 TYR CE1 . 19826 1 196 . 1 1 17 17 TYR CE2 C 13 118.224 0.4 . 3 . . . A 17 TYR CE2 . 19826 1 197 . 1 1 17 17 TYR N N 15 117.528 0.4 . 1 . . . A 17 TYR N . 19826 1 198 . 1 1 18 18 ILE H H 1 9.468 0.02 . 1 . . . A 18 ILE H . 19826 1 199 . 1 1 18 18 ILE HA H 1 5.575 0.02 . 1 . . . A 18 ILE HA . 19826 1 200 . 1 1 18 18 ILE HB H 1 1.413 0.02 . 1 . . . A 18 ILE HB . 19826 1 201 . 1 1 18 18 ILE HG12 H 1 0.920 0.02 . 2 . . . A 18 ILE HG12 . 19826 1 202 . 1 1 18 18 ILE HG13 H 1 1.414 0.02 . 2 . . . A 18 ILE HG13 . 19826 1 203 . 1 1 18 18 ILE HG21 H 1 0.872 0.02 . 1 . . . A 18 ILE MG . 19826 1 204 . 1 1 18 18 ILE HG22 H 1 0.872 0.02 . 1 . . . A 18 ILE MG . 19826 1 205 . 1 1 18 18 ILE HG23 H 1 0.872 0.02 . 1 . . . A 18 ILE MG . 19826 1 206 . 1 1 18 18 ILE HD11 H 1 0.551 0.02 . 1 . . . A 18 ILE MD . 19826 1 207 . 1 1 18 18 ILE HD12 H 1 0.551 0.02 . 1 . . . A 18 ILE MD . 19826 1 208 . 1 1 18 18 ILE HD13 H 1 0.551 0.02 . 1 . . . A 18 ILE MD . 19826 1 209 . 1 1 18 18 ILE C C 13 172.860 0.4 . 1 . . . A 18 ILE C . 19826 1 210 . 1 1 18 18 ILE CA C 13 57.480 0.4 . 1 . . . A 18 ILE CA . 19826 1 211 . 1 1 18 18 ILE CB C 13 42.581 0.4 . 1 . . . A 18 ILE CB . 19826 1 212 . 1 1 18 18 ILE CG1 C 13 29.374 0.4 . 1 . . . A 18 ILE CG1 . 19826 1 213 . 1 1 18 18 ILE CG2 C 13 16.895 0.4 . 1 . . . A 18 ILE CG2 . 19826 1 214 . 1 1 18 18 ILE CD1 C 13 15.158 0.4 . 1 . . . A 18 ILE CD1 . 19826 1 215 . 1 1 18 18 ILE N N 15 123.131 0.4 . 1 . . . A 18 ILE N . 19826 1 216 . 1 1 19 19 GLU H H 1 9.336 0.02 . 1 . . . A 19 GLU H . 19826 1 217 . 1 1 19 19 GLU HA H 1 5.481 0.02 . 1 . . . A 19 GLU HA . 19826 1 218 . 1 1 19 19 GLU HB2 H 1 2.136 0.02 . 2 . . . A 19 GLU HB2 . 19826 1 219 . 1 1 19 19 GLU HG2 H 1 2.130 0.02 . 2 . . . A 19 GLU HG2 . 19826 1 220 . 1 1 19 19 GLU HG3 H 1 2.320 0.02 . 2 . . . A 19 GLU HG3 . 19826 1 221 . 1 1 19 19 GLU C C 13 175.910 0.4 . 1 . . . A 19 GLU C . 19826 1 222 . 1 1 19 19 GLU CA C 13 54.340 0.4 . 1 . . . A 19 GLU CA . 19826 1 223 . 1 1 19 19 GLU CB C 13 33.870 0.4 . 1 . . . A 19 GLU CB . 19826 1 224 . 1 1 19 19 GLU CG C 13 36.427 0.4 . 1 . . . A 19 GLU CG . 19826 1 225 . 1 1 19 19 GLU N N 15 126.401 0.4 . 1 . . . A 19 GLU N . 19826 1 226 . 1 1 20 20 ILE H H 1 8.791 0.02 . 1 . . . A 20 ILE H . 19826 1 227 . 1 1 20 20 ILE HA H 1 4.995 0.02 . 1 . . . A 20 ILE HA . 19826 1 228 . 1 1 20 20 ILE HB H 1 1.877 0.02 . 1 . . . A 20 ILE HB . 19826 1 229 . 1 1 20 20 ILE HG12 H 1 0.979 0.02 . 2 . . . A 20 ILE HG12 . 19826 1 230 . 1 1 20 20 ILE HG13 H 1 1.437 0.02 . 2 . . . A 20 ILE HG13 . 19826 1 231 . 1 1 20 20 ILE HG21 H 1 0.741 0.02 . 1 . . . A 20 ILE MG . 19826 1 232 . 1 1 20 20 ILE HG22 H 1 0.741 0.02 . 1 . . . A 20 ILE MG . 19826 1 233 . 1 1 20 20 ILE HG23 H 1 0.741 0.02 . 1 . . . A 20 ILE MG . 19826 1 234 . 1 1 20 20 ILE HD11 H 1 0.429 0.02 . 1 . . . A 20 ILE MD . 19826 1 235 . 1 1 20 20 ILE HD12 H 1 0.429 0.02 . 1 . . . A 20 ILE MD . 19826 1 236 . 1 1 20 20 ILE HD13 H 1 0.429 0.02 . 1 . . . A 20 ILE MD . 19826 1 237 . 1 1 20 20 ILE CA C 13 58.423 0.4 . 1 . . . A 20 ILE CA . 19826 1 238 . 1 1 20 20 ILE CB C 13 39.658 0.4 . 1 . . . A 20 ILE CB . 19826 1 239 . 1 1 20 20 ILE CG1 C 13 27.982 0.4 . 1 . . . A 20 ILE CG1 . 19826 1 240 . 1 1 20 20 ILE CG2 C 13 18.205 0.4 . 1 . . . A 20 ILE CG2 . 19826 1 241 . 1 1 20 20 ILE CD1 C 13 15.181 0.4 . 1 . . . A 20 ILE CD1 . 19826 1 242 . 1 1 20 20 ILE N N 15 121.571 0.4 . 1 . . . A 20 ILE N . 19826 1 243 . 1 1 21 21 PRO HA H 1 4.597 0.02 . 1 . . . A 21 PRO HA . 19826 1 244 . 1 1 21 21 PRO HB2 H 1 2.202 0.02 . 2 . . . A 21 PRO HB2 . 19826 1 245 . 1 1 21 21 PRO HB3 H 1 2.522 0.02 . 2 . . . A 21 PRO HB3 . 19826 1 246 . 1 1 21 21 PRO HG2 H 1 2.211 0.02 . 2 . . . A 21 PRO HG2 . 19826 1 247 . 1 1 21 21 PRO HG3 H 1 2.337 0.02 . 2 . . . A 21 PRO HG3 . 19826 1 248 . 1 1 21 21 PRO HD2 H 1 3.605 0.02 . 2 . . . A 21 PRO HD2 . 19826 1 249 . 1 1 21 21 PRO HD3 H 1 4.223 0.02 . 2 . . . A 21 PRO HD3 . 19826 1 250 . 1 1 21 21 PRO C C 13 180.260 0.4 . 1 . . . A 21 PRO C . 19826 1 251 . 1 1 21 21 PRO CA C 13 66.040 0.4 . 1 . . . A 21 PRO CA . 19826 1 252 . 1 1 21 21 PRO CB C 13 32.103 0.4 . 1 . . . A 21 PRO CB . 19826 1 253 . 1 1 21 21 PRO CG C 13 27.439 0.4 . 1 . . . A 21 PRO CG . 19826 1 254 . 1 1 21 21 PRO CD C 13 50.689 0.4 . 1 . . . A 21 PRO CD . 19826 1 255 . 1 1 22 22 ASP H H 1 9.847 0.02 . 1 . . . A 22 ASP H . 19826 1 256 . 1 1 22 22 ASP HA H 1 4.430 0.02 . 1 . . . A 22 ASP HA . 19826 1 257 . 1 1 22 22 ASP HB2 H 1 2.436 0.02 . 2 . . . A 22 ASP HB2 . 19826 1 258 . 1 1 22 22 ASP HB3 H 1 2.745 0.02 . 2 . . . A 22 ASP HB3 . 19826 1 259 . 1 1 22 22 ASP C C 13 175.920 0.4 . 1 . . . A 22 ASP C . 19826 1 260 . 1 1 22 22 ASP CA C 13 56.904 0.4 . 1 . . . A 22 ASP CA . 19826 1 261 . 1 1 22 22 ASP CB C 13 40.129 0.4 . 1 . . . A 22 ASP CB . 19826 1 262 . 1 1 22 22 ASP N N 15 118.233 0.4 . 1 . . . A 22 ASP N . 19826 1 263 . 1 1 23 23 ALA H H 1 7.499 0.02 . 1 . . . A 23 ALA H . 19826 1 264 . 1 1 23 23 ALA HA H 1 4.514 0.02 . 1 . . . A 23 ALA HA . 19826 1 265 . 1 1 23 23 ALA HB1 H 1 1.140 0.02 . 1 . . . A 23 ALA MB . 19826 1 266 . 1 1 23 23 ALA HB2 H 1 1.140 0.02 . 1 . . . A 23 ALA MB . 19826 1 267 . 1 1 23 23 ALA HB3 H 1 1.140 0.02 . 1 . . . A 23 ALA MB . 19826 1 268 . 1 1 23 23 ALA C C 13 175.850 0.4 . 1 . . . A 23 ALA C . 19826 1 269 . 1 1 23 23 ALA CA C 13 50.045 0.4 . 1 . . . A 23 ALA CA . 19826 1 270 . 1 1 23 23 ALA CB C 13 21.971 0.4 . 1 . . . A 23 ALA CB . 19826 1 271 . 1 1 23 23 ALA N N 15 117.465 0.4 . 1 . . . A 23 ALA N . 19826 1 272 . 1 1 24 24 ASP H H 1 8.103 0.02 . 1 . . . A 24 ASP H . 19826 1 273 . 1 1 24 24 ASP HA H 1 4.317 0.02 . 1 . . . A 24 ASP HA . 19826 1 274 . 1 1 24 24 ASP HB2 H 1 3.076 0.02 . 2 . . . A 24 ASP HB2 . 19826 1 275 . 1 1 24 24 ASP HB3 H 1 2.545 0.02 . 2 . . . A 24 ASP HB3 . 19826 1 276 . 1 1 24 24 ASP C C 13 174.610 0.4 . 1 . . . A 24 ASP C . 19826 1 277 . 1 1 24 24 ASP CA C 13 55.609 0.4 . 1 . . . A 24 ASP CA . 19826 1 278 . 1 1 24 24 ASP CB C 13 39.919 0.4 . 1 . . . A 24 ASP CB . 19826 1 279 . 1 1 24 24 ASP N N 15 119.319 0.4 . 1 . . . A 24 ASP N . 19826 1 280 . 1 1 25 25 ILE H H 1 7.081 0.02 . 1 . . . A 25 ILE H . 19826 1 281 . 1 1 25 25 ILE HA H 1 4.414 0.02 . 1 . . . A 25 ILE HA . 19826 1 282 . 1 1 25 25 ILE HB H 1 1.436 0.02 . 1 . . . A 25 ILE HB . 19826 1 283 . 1 1 25 25 ILE HG12 H 1 1.303 0.02 . 2 . . . A 25 ILE HG12 . 19826 1 284 . 1 1 25 25 ILE HG13 H 1 1.712 0.02 . 2 . . . A 25 ILE HG13 . 19826 1 285 . 1 1 25 25 ILE HG21 H 1 0.926 0.02 . 1 . . . A 25 ILE MG . 19826 1 286 . 1 1 25 25 ILE HG22 H 1 0.926 0.02 . 1 . . . A 25 ILE MG . 19826 1 287 . 1 1 25 25 ILE HG23 H 1 0.926 0.02 . 1 . . . A 25 ILE MG . 19826 1 288 . 1 1 25 25 ILE HD11 H 1 0.662 0.02 . 1 . . . A 25 ILE MD . 19826 1 289 . 1 1 25 25 ILE HD12 H 1 0.662 0.02 . 1 . . . A 25 ILE MD . 19826 1 290 . 1 1 25 25 ILE HD13 H 1 0.662 0.02 . 1 . . . A 25 ILE MD . 19826 1 291 . 1 1 25 25 ILE C C 13 176.540 0.4 . 1 . . . A 25 ILE C . 19826 1 292 . 1 1 25 25 ILE CA C 13 60.980 0.4 . 1 . . . A 25 ILE CA . 19826 1 293 . 1 1 25 25 ILE CB C 13 40.753 0.4 . 1 . . . A 25 ILE CB . 19826 1 294 . 1 1 25 25 ILE CG1 C 13 28.038 0.4 . 1 . . . A 25 ILE CG1 . 19826 1 295 . 1 1 25 25 ILE CG2 C 13 16.439 0.4 . 1 . . . A 25 ILE CG2 . 19826 1 296 . 1 1 25 25 ILE CD1 C 13 15.319 0.4 . 1 . . . A 25 ILE CD1 . 19826 1 297 . 1 1 25 25 ILE N N 15 116.375 0.4 . 1 . . . A 25 ILE N . 19826 1 298 . 1 1 26 26 LYS H H 1 9.440 0.02 . 1 . . . A 26 LYS H . 19826 1 299 . 1 1 26 26 LYS HA H 1 5.072 0.02 . 1 . . . A 26 LYS HA . 19826 1 300 . 1 1 26 26 LYS HB2 H 1 1.895 0.02 . 2 . . . A 26 LYS HB2 . 19826 1 301 . 1 1 26 26 LYS HB3 H 1 1.764 0.02 . 2 . . . A 26 LYS HB3 . 19826 1 302 . 1 1 26 26 LYS HG2 H 1 1.464 0.02 . 2 . . . A 26 LYS HG2 . 19826 1 303 . 1 1 26 26 LYS HG3 H 1 1.309 0.02 . 2 . . . A 26 LYS HG3 . 19826 1 304 . 1 1 26 26 LYS HD2 H 1 1.607 0.02 . 2 . . . A 26 LYS HD2 . 19826 1 305 . 1 1 26 26 LYS HD3 H 1 1.534 0.02 . 2 . . . A 26 LYS HD3 . 19826 1 306 . 1 1 26 26 LYS HE2 H 1 2.833 0.02 . 2 . . . A 26 LYS HE2 . 19826 1 307 . 1 1 26 26 LYS C C 13 175.010 0.4 . 1 . . . A 26 LYS C . 19826 1 308 . 1 1 26 26 LYS CA C 13 56.936 0.4 . 1 . . . A 26 LYS CA . 19826 1 309 . 1 1 26 26 LYS CB C 13 33.730 0.4 . 1 . . . A 26 LYS CB . 19826 1 310 . 1 1 26 26 LYS CG C 13 25.279 0.4 . 1 . . . A 26 LYS CG . 19826 1 311 . 1 1 26 26 LYS CD C 13 29.639 0.4 . 1 . . . A 26 LYS CD . 19826 1 312 . 1 1 26 26 LYS CE C 13 41.968 0.4 . 1 . . . A 26 LYS CE . 19826 1 313 . 1 1 26 26 LYS N N 15 133.878 0.4 . 1 . . . A 26 LYS N . 19826 1 314 . 1 1 27 27 GLU H H 1 8.941 0.02 . 1 . . . A 27 GLU H . 19826 1 315 . 1 1 27 27 GLU HA H 1 5.242 0.02 . 1 . . . A 27 GLU HA . 19826 1 316 . 1 1 27 27 GLU HB2 H 1 1.418 0.02 . 2 . . . A 27 GLU HB2 . 19826 1 317 . 1 1 27 27 GLU HB3 H 1 2.080 0.02 . 2 . . . A 27 GLU HB3 . 19826 1 318 . 1 1 27 27 GLU HG2 H 1 2.006 0.02 . 2 . . . A 27 GLU HG2 . 19826 1 319 . 1 1 27 27 GLU HG3 H 1 2.291 0.02 . 2 . . . A 27 GLU HG3 . 19826 1 320 . 1 1 27 27 GLU CA C 13 52.440 0.4 . 1 . . . A 27 GLU CA . 19826 1 321 . 1 1 27 27 GLU CB C 13 34.397 0.4 . 1 . . . A 27 GLU CB . 19826 1 322 . 1 1 27 27 GLU CG C 13 35.888 0.4 . 1 . . . A 27 GLU CG . 19826 1 323 . 1 1 27 27 GLU N N 15 123.836 0.4 . 1 . . . A 27 GLU N . 19826 1 324 . 1 1 28 28 PRO HA H 1 4.269 0.02 . 1 . . . A 28 PRO HA . 19826 1 325 . 1 1 28 28 PRO HB2 H 1 1.508 0.02 . 2 . . . A 28 PRO HB2 . 19826 1 326 . 1 1 28 28 PRO HB3 H 1 1.943 0.02 . 2 . . . A 28 PRO HB3 . 19826 1 327 . 1 1 28 28 PRO HG2 H 1 2.238 0.02 . 2 . . . A 28 PRO HG2 . 19826 1 328 . 1 1 28 28 PRO HG3 H 1 2.381 0.02 . 2 . . . A 28 PRO HG3 . 19826 1 329 . 1 1 28 28 PRO HD2 H 1 3.911 0.02 . 2 . . . A 28 PRO HD2 . 19826 1 330 . 1 1 28 28 PRO HD3 H 1 4.143 0.02 . 2 . . . A 28 PRO HD3 . 19826 1 331 . 1 1 28 28 PRO C C 13 174.590 0.4 . 1 . . . A 28 PRO C . 19826 1 332 . 1 1 28 28 PRO CA C 13 61.601 0.4 . 1 . . . A 28 PRO CA . 19826 1 333 . 1 1 28 28 PRO CB C 13 32.693 0.4 . 1 . . . A 28 PRO CB . 19826 1 334 . 1 1 28 28 PRO CG C 13 27.011 0.4 . 1 . . . A 28 PRO CG . 19826 1 335 . 1 1 28 28 PRO CD C 13 50.885 0.4 . 1 . . . A 28 PRO CD . 19826 1 336 . 1 1 29 29 VAL H H 1 8.235 0.02 . 1 . . . A 29 VAL H . 19826 1 337 . 1 1 29 29 VAL HA H 1 4.224 0.02 . 1 . . . A 29 VAL HA . 19826 1 338 . 1 1 29 29 VAL HB H 1 1.158 0.02 . 1 . . . A 29 VAL HB . 19826 1 339 . 1 1 29 29 VAL HG11 H 1 0.525 0.02 . 2 . . . A 29 VAL MG1 . 19826 1 340 . 1 1 29 29 VAL HG12 H 1 0.525 0.02 . 2 . . . A 29 VAL MG1 . 19826 1 341 . 1 1 29 29 VAL HG13 H 1 0.525 0.02 . 2 . . . A 29 VAL MG1 . 19826 1 342 . 1 1 29 29 VAL HG21 H 1 -0.064 0.02 . 2 . . . A 29 VAL MG2 . 19826 1 343 . 1 1 29 29 VAL HG22 H 1 -0.064 0.02 . 2 . . . A 29 VAL MG2 . 19826 1 344 . 1 1 29 29 VAL HG23 H 1 -0.064 0.02 . 2 . . . A 29 VAL MG2 . 19826 1 345 . 1 1 29 29 VAL C C 13 174.930 0.4 . 1 . . . A 29 VAL C . 19826 1 346 . 1 1 29 29 VAL CA C 13 60.019 0.4 . 1 . . . A 29 VAL CA . 19826 1 347 . 1 1 29 29 VAL CB C 13 33.542 0.4 . 1 . . . A 29 VAL CB . 19826 1 348 . 1 1 29 29 VAL CG1 C 13 21.273 0.4 . 2 . . . A 29 VAL CG1 . 19826 1 349 . 1 1 29 29 VAL CG2 C 13 21.316 0.4 . 2 . . . A 29 VAL CG2 . 19826 1 350 . 1 1 29 29 VAL N N 15 120.301 0.4 . 1 . . . A 29 VAL N . 19826 1 351 . 1 1 30 30 TYR H H 1 9.292 0.02 . 1 . . . A 30 TYR H . 19826 1 352 . 1 1 30 30 TYR HA H 1 4.657 0.02 . 1 . . . A 30 TYR HA . 19826 1 353 . 1 1 30 30 TYR HB2 H 1 2.797 0.02 . 2 . . . A 30 TYR HB2 . 19826 1 354 . 1 1 30 30 TYR HB3 H 1 2.916 0.02 . 2 . . . A 30 TYR HB3 . 19826 1 355 . 1 1 30 30 TYR HD1 H 1 6.904 0.02 . 3 . . . A 30 TYR HD1 . 19826 1 356 . 1 1 30 30 TYR HD2 H 1 6.904 0.02 . 3 . . . A 30 TYR HD2 . 19826 1 357 . 1 1 30 30 TYR HE1 H 1 6.575 0.02 . 3 . . . A 30 TYR HE1 . 19826 1 358 . 1 1 30 30 TYR HE2 H 1 6.575 0.02 . 3 . . . A 30 TYR HE2 . 19826 1 359 . 1 1 30 30 TYR CA C 13 57.678 0.4 . 1 . . . A 30 TYR CA . 19826 1 360 . 1 1 30 30 TYR CB C 13 38.442 0.4 . 1 . . . A 30 TYR CB . 19826 1 361 . 1 1 30 30 TYR CD1 C 13 133.311 0.4 . 3 . . . A 30 TYR CD1 . 19826 1 362 . 1 1 30 30 TYR CD2 C 13 133.311 0.4 . 3 . . . A 30 TYR CD2 . 19826 1 363 . 1 1 30 30 TYR CE1 C 13 117.835 0.4 . 3 . . . A 30 TYR CE1 . 19826 1 364 . 1 1 30 30 TYR CE2 C 13 117.835 0.4 . 3 . . . A 30 TYR CE2 . 19826 1 365 . 1 1 30 30 TYR N N 15 127.543 0.4 . 1 . . . A 30 TYR N . 19826 1 366 . 1 1 31 31 PRO HA H 1 4.501 0.02 . 1 . . . A 31 PRO HA . 19826 1 367 . 1 1 31 31 PRO HB2 H 1 1.809 0.02 . 2 . . . A 31 PRO HB2 . 19826 1 368 . 1 1 31 31 PRO HB3 H 1 2.644 0.02 . 2 . . . A 31 PRO HB3 . 19826 1 369 . 1 1 31 31 PRO HG2 H 1 2.536 0.02 . 2 . . . A 31 PRO HG2 . 19826 1 370 . 1 1 31 31 PRO HG3 H 1 1.827 0.02 . 2 . . . A 31 PRO HG3 . 19826 1 371 . 1 1 31 31 PRO HD2 H 1 3.731 0.02 . 2 . . . A 31 PRO HD2 . 19826 1 372 . 1 1 31 31 PRO HD3 H 1 4.550 0.02 . 2 . . . A 31 PRO HD3 . 19826 1 373 . 1 1 31 31 PRO C C 13 174.470 0.4 . 1 . . . A 31 PRO C . 19826 1 374 . 1 1 31 31 PRO CA C 13 63.901 0.4 . 1 . . . A 31 PRO CA . 19826 1 375 . 1 1 31 31 PRO CB C 13 33.651 0.4 . 1 . . . A 31 PRO CB . 19826 1 376 . 1 1 31 31 PRO CG C 13 30.047 0.4 . 1 . . . A 31 PRO CG . 19826 1 377 . 1 1 31 31 PRO CD C 13 51.741 0.4 . 1 . . . A 31 PRO CD . 19826 1 378 . 1 1 32 32 GLY H H 1 8.701 0.02 . 1 . . . A 32 GLY H . 19826 1 379 . 1 1 32 32 GLY HA2 H 1 3.425 0.02 . 2 . . . A 32 GLY HA2 . 19826 1 380 . 1 1 32 32 GLY HA3 H 1 4.264 0.02 . 2 . . . A 32 GLY HA3 . 19826 1 381 . 1 1 32 32 GLY C C 13 172.720 0.4 . 1 . . . A 32 GLY C . 19826 1 382 . 1 1 32 32 GLY CA C 13 44.575 0.4 . 1 . . . A 32 GLY CA . 19826 1 383 . 1 1 32 32 GLY N N 15 106.993 0.4 . 1 . . . A 32 GLY N . 19826 1 384 . 1 1 33 33 PRO HA H 1 4.037 0.02 . 1 . . . A 33 PRO HA . 19826 1 385 . 1 1 33 33 PRO HB2 H 1 2.179 0.02 . 2 . . . A 33 PRO HB2 . 19826 1 386 . 1 1 33 33 PRO HB3 H 1 2.445 0.02 . 2 . . . A 33 PRO HB3 . 19826 1 387 . 1 1 33 33 PRO HG2 H 1 1.953 0.02 . 2 . . . A 33 PRO HG2 . 19826 1 388 . 1 1 33 33 PRO HG3 H 1 2.059 0.02 . 2 . . . A 33 PRO HG3 . 19826 1 389 . 1 1 33 33 PRO HD2 H 1 3.446 0.02 . 2 . . . A 33 PRO HD2 . 19826 1 390 . 1 1 33 33 PRO HD3 H 1 3.646 0.02 . 2 . . . A 33 PRO HD3 . 19826 1 391 . 1 1 33 33 PRO C C 13 176.030 0.4 . 1 . . . A 33 PRO C . 19826 1 392 . 1 1 33 33 PRO CA C 13 61.581 0.4 . 1 . . . A 33 PRO CA . 19826 1 393 . 1 1 33 33 PRO CB C 13 35.019 0.4 . 1 . . . A 33 PRO CB . 19826 1 394 . 1 1 33 33 PRO CG C 13 24.144 0.4 . 1 . . . A 33 PRO CG . 19826 1 395 . 1 1 33 33 PRO CD C 13 50.027 0.4 . 1 . . . A 33 PRO CD . 19826 1 396 . 1 1 34 34 ALA H H 1 7.422 0.02 . 1 . . . A 34 ALA H . 19826 1 397 . 1 1 34 34 ALA HA H 1 4.280 0.02 . 1 . . . A 34 ALA HA . 19826 1 398 . 1 1 34 34 ALA HB1 H 1 1.068 0.02 . 1 . . . A 34 ALA MB . 19826 1 399 . 1 1 34 34 ALA HB2 H 1 1.068 0.02 . 1 . . . A 34 ALA MB . 19826 1 400 . 1 1 34 34 ALA HB3 H 1 1.068 0.02 . 1 . . . A 34 ALA MB . 19826 1 401 . 1 1 34 34 ALA C C 13 176.520 0.4 . 1 . . . A 34 ALA C . 19826 1 402 . 1 1 34 34 ALA CA C 13 51.693 0.4 . 1 . . . A 34 ALA CA . 19826 1 403 . 1 1 34 34 ALA CB C 13 17.899 0.4 . 1 . . . A 34 ALA CB . 19826 1 404 . 1 1 34 34 ALA N N 15 123.690 0.4 . 1 . . . A 34 ALA N . 19826 1 405 . 1 1 35 35 THR H H 1 7.732 0.02 . 1 . . . A 35 THR H . 19826 1 406 . 1 1 35 35 THR HA H 1 4.673 0.02 . 1 . . . A 35 THR HA . 19826 1 407 . 1 1 35 35 THR HB H 1 4.772 0.02 . 1 . . . A 35 THR HB . 19826 1 408 . 1 1 35 35 THR HG21 H 1 1.306 0.02 . 1 . . . A 35 THR MG . 19826 1 409 . 1 1 35 35 THR HG22 H 1 1.306 0.02 . 1 . . . A 35 THR MG . 19826 1 410 . 1 1 35 35 THR HG23 H 1 1.306 0.02 . 1 . . . A 35 THR MG . 19826 1 411 . 1 1 35 35 THR CA C 13 59.592 0.4 . 1 . . . A 35 THR CA . 19826 1 412 . 1 1 35 35 THR CB C 13 68.387 0.4 . 1 . . . A 35 THR CB . 19826 1 413 . 1 1 35 35 THR CG2 C 13 22.724 0.4 . 1 . . . A 35 THR CG2 . 19826 1 414 . 1 1 35 35 THR N N 15 113.816 0.4 . 1 . . . A 35 THR N . 19826 1 415 . 1 1 36 36 PRO HA H 1 4.219 0.02 . 1 . . . A 36 PRO HA . 19826 1 416 . 1 1 36 36 PRO HB2 H 1 1.923 0.02 . 2 . . . A 36 PRO HB2 . 19826 1 417 . 1 1 36 36 PRO HB3 H 1 2.439 0.02 . 2 . . . A 36 PRO HB3 . 19826 1 418 . 1 1 36 36 PRO C C 13 178.690 0.4 . 1 . . . A 36 PRO C . 19826 1 419 . 1 1 36 36 PRO CA C 13 66.303 0.4 . 1 . . . A 36 PRO CA . 19826 1 420 . 1 1 36 36 PRO CB C 13 31.644 0.4 . 1 . . . A 36 PRO CB . 19826 1 421 . 1 1 36 36 PRO CG C 13 25.577 0.4 . 1 . . . A 36 PRO CG . 19826 1 422 . 1 1 36 36 PRO CD C 13 50.583 0.4 . 1 . . . A 36 PRO CD . 19826 1 423 . 1 1 37 37 GLU H H 1 8.375 0.02 . 1 . . . A 37 GLU H . 19826 1 424 . 1 1 37 37 GLU HA H 1 3.994 0.02 . 1 . . . A 37 GLU HA . 19826 1 425 . 1 1 37 37 GLU HB2 H 1 1.899 0.02 . 2 . . . A 37 GLU HB2 . 19826 1 426 . 1 1 37 37 GLU HB3 H 1 2.033 0.02 . 2 . . . A 37 GLU HB3 . 19826 1 427 . 1 1 37 37 GLU HG2 H 1 2.222 0.02 . 2 . . . A 37 GLU HG2 . 19826 1 428 . 1 1 37 37 GLU HG3 H 1 2.326 0.02 . 2 . . . A 37 GLU HG3 . 19826 1 429 . 1 1 37 37 GLU C C 13 178.900 0.4 . 1 . . . A 37 GLU C . 19826 1 430 . 1 1 37 37 GLU CA C 13 59.839 0.4 . 1 . . . A 37 GLU CA . 19826 1 431 . 1 1 37 37 GLU CB C 13 29.269 0.4 . 1 . . . A 37 GLU CB . 19826 1 432 . 1 1 37 37 GLU CG C 13 36.845 0.4 . 1 . . . A 37 GLU CG . 19826 1 433 . 1 1 37 37 GLU N N 15 114.969 0.4 . 1 . . . A 37 GLU N . 19826 1 434 . 1 1 38 38 GLN H H 1 7.766 0.02 . 1 . . . A 38 GLN H . 19826 1 435 . 1 1 38 38 GLN HA H 1 4.414 0.02 . 1 . . . A 38 GLN HA . 19826 1 436 . 1 1 38 38 GLN HB2 H 1 2.188 0.02 . 2 . . . A 38 GLN HB2 . 19826 1 437 . 1 1 38 38 GLN HB3 H 1 2.155 0.02 . 2 . . . A 38 GLN HB3 . 19826 1 438 . 1 1 38 38 GLN HG2 H 1 2.472 0.02 . 2 . . . A 38 GLN HG2 . 19826 1 439 . 1 1 38 38 GLN HG3 H 1 2.948 0.02 . 2 . . . A 38 GLN HG3 . 19826 1 440 . 1 1 38 38 GLN HE21 H 1 8.221 0.02 . 2 . . . A 38 GLN HE21 . 19826 1 441 . 1 1 38 38 GLN HE22 H 1 7.669 0.02 . 2 . . . A 38 GLN HE22 . 19826 1 442 . 1 1 38 38 GLN C C 13 178.920 0.4 . 1 . . . A 38 GLN C . 19826 1 443 . 1 1 38 38 GLN CA C 13 57.879 0.4 . 1 . . . A 38 GLN CA . 19826 1 444 . 1 1 38 38 GLN CB C 13 29.175 0.4 . 1 . . . A 38 GLN CB . 19826 1 445 . 1 1 38 38 GLN CG C 13 32.352 0.4 . 1 . . . A 38 GLN CG . 19826 1 446 . 1 1 38 38 GLN N N 15 122.421 0.4 . 1 . . . A 38 GLN N . 19826 1 447 . 1 1 38 38 GLN NE2 N 15 113.072 0.4 . 1 . . . A 38 GLN NE2 . 19826 1 448 . 1 1 39 39 LEU H H 1 8.370 0.02 . 1 . . . A 39 LEU H . 19826 1 449 . 1 1 39 39 LEU HA H 1 4.669 0.02 . 1 . . . A 39 LEU HA . 19826 1 450 . 1 1 39 39 LEU HB2 H 1 1.466 0.02 . 2 . . . A 39 LEU HB2 . 19826 1 451 . 1 1 39 39 LEU HB3 H 1 1.012 0.02 . 2 . . . A 39 LEU HB3 . 19826 1 452 . 1 1 39 39 LEU HG H 1 1.246 0.02 . 1 . . . A 39 LEU HG . 19826 1 453 . 1 1 39 39 LEU HD11 H 1 0.113 0.02 . 2 . . . A 39 LEU MD1 . 19826 1 454 . 1 1 39 39 LEU HD12 H 1 0.113 0.02 . 2 . . . A 39 LEU MD1 . 19826 1 455 . 1 1 39 39 LEU HD13 H 1 0.113 0.02 . 2 . . . A 39 LEU MD1 . 19826 1 456 . 1 1 39 39 LEU HD21 H 1 0.470 0.02 . 2 . . . A 39 LEU MD2 . 19826 1 457 . 1 1 39 39 LEU HD22 H 1 0.470 0.02 . 2 . . . A 39 LEU MD2 . 19826 1 458 . 1 1 39 39 LEU HD23 H 1 0.470 0.02 . 2 . . . A 39 LEU MD2 . 19826 1 459 . 1 1 39 39 LEU C C 13 178.720 0.4 . 1 . . . A 39 LEU C . 19826 1 460 . 1 1 39 39 LEU CA C 13 56.031 0.4 . 1 . . . A 39 LEU CA . 19826 1 461 . 1 1 39 39 LEU CB C 13 41.341 0.4 . 1 . . . A 39 LEU CB . 19826 1 462 . 1 1 39 39 LEU CG C 13 27.474 0.4 . 1 . . . A 39 LEU CG . 19826 1 463 . 1 1 39 39 LEU CD1 C 13 25.576 0.4 . 2 . . . A 39 LEU CD1 . 19826 1 464 . 1 1 39 39 LEU CD2 C 13 23.162 0.4 . 2 . . . A 39 LEU CD2 . 19826 1 465 . 1 1 39 39 LEU N N 15 117.740 0.4 . 1 . . . A 39 LEU N . 19826 1 466 . 1 1 40 40 ASN H H 1 7.433 0.02 . 1 . . . A 40 ASN H . 19826 1 467 . 1 1 40 40 ASN HA H 1 4.626 0.02 . 1 . . . A 40 ASN HA . 19826 1 468 . 1 1 40 40 ASN HB2 H 1 2.920 0.02 . 2 . . . A 40 ASN HB2 . 19826 1 469 . 1 1 40 40 ASN HB3 H 1 2.786 0.02 . 2 . . . A 40 ASN HB3 . 19826 1 470 . 1 1 40 40 ASN HD21 H 1 6.916 0.02 . 2 . . . A 40 ASN HD21 . 19826 1 471 . 1 1 40 40 ASN HD22 H 1 7.639 0.02 . 2 . . . A 40 ASN HD22 . 19826 1 472 . 1 1 40 40 ASN C C 13 177.680 0.4 . 1 . . . A 40 ASN C . 19826 1 473 . 1 1 40 40 ASN CA C 13 54.958 0.4 . 1 . . . A 40 ASN CA . 19826 1 474 . 1 1 40 40 ASN CB C 13 38.560 0.4 . 1 . . . A 40 ASN CB . 19826 1 475 . 1 1 40 40 ASN N N 15 115.479 0.4 . 1 . . . A 40 ASN N . 19826 1 476 . 1 1 40 40 ASN ND2 N 15 112.599 0.4 . 1 . . . A 40 ASN ND2 . 19826 1 477 . 1 1 41 41 ARG H H 1 7.729 0.02 . 1 . . . A 41 ARG H . 19826 1 478 . 1 1 41 41 ARG HA H 1 3.960 0.02 . 1 . . . A 41 ARG HA . 19826 1 479 . 1 1 41 41 ARG HB2 H 1 1.044 0.02 . 2 . . . A 41 ARG HB2 . 19826 1 480 . 1 1 41 41 ARG HB3 H 1 1.463 0.02 . 2 . . . A 41 ARG HB3 . 19826 1 481 . 1 1 41 41 ARG HG2 H 1 0.797 0.02 . 2 . . . A 41 ARG HG2 . 19826 1 482 . 1 1 41 41 ARG HG3 H 1 1.328 0.02 . 2 . . . A 41 ARG HG3 . 19826 1 483 . 1 1 41 41 ARG HD2 H 1 2.565 0.02 . 2 . . . A 41 ARG HD2 . 19826 1 484 . 1 1 41 41 ARG HD3 H 1 2.750 0.02 . 2 . . . A 41 ARG HD3 . 19826 1 485 . 1 1 41 41 ARG C C 13 176.820 0.4 . 1 . . . A 41 ARG C . 19826 1 486 . 1 1 41 41 ARG CA C 13 58.090 0.4 . 1 . . . A 41 ARG CA . 19826 1 487 . 1 1 41 41 ARG CB C 13 29.361 0.4 . 1 . . . A 41 ARG CB . 19826 1 488 . 1 1 41 41 ARG CG C 13 27.092 0.4 . 1 . . . A 41 ARG CG . 19826 1 489 . 1 1 41 41 ARG CD C 13 43.933 0.4 . 1 . . . A 41 ARG CD . 19826 1 490 . 1 1 41 41 ARG N N 15 121.156 0.4 . 1 . . . A 41 ARG N . 19826 1 491 . 1 1 42 42 GLY H H 1 7.796 0.02 . 1 . . . A 42 GLY H . 19826 1 492 . 1 1 42 42 GLY HA2 H 1 4.094 0.02 . 2 . . . A 42 GLY HA2 . 19826 1 493 . 1 1 42 42 GLY HA3 H 1 3.883 0.02 . 2 . . . A 42 GLY HA3 . 19826 1 494 . 1 1 42 42 GLY C C 13 171.230 0.4 . 1 . . . A 42 GLY C . 19826 1 495 . 1 1 42 42 GLY CA C 13 46.084 0.4 . 1 . . . A 42 GLY CA . 19826 1 496 . 1 1 42 42 GLY N N 15 105.805 0.4 . 1 . . . A 42 GLY N . 19826 1 497 . 1 1 43 43 VAL H H 1 8.417 0.02 . 1 . . . A 43 VAL H . 19826 1 498 . 1 1 43 43 VAL HA H 1 3.742 0.02 . 1 . . . A 43 VAL HA . 19826 1 499 . 1 1 43 43 VAL HB H 1 1.834 0.02 . 1 . . . A 43 VAL HB . 19826 1 500 . 1 1 43 43 VAL HG11 H 1 0.096 0.02 . 2 . . . A 43 VAL MG1 . 19826 1 501 . 1 1 43 43 VAL HG12 H 1 0.096 0.02 . 2 . . . A 43 VAL MG1 . 19826 1 502 . 1 1 43 43 VAL HG13 H 1 0.096 0.02 . 2 . . . A 43 VAL MG1 . 19826 1 503 . 1 1 43 43 VAL HG21 H 1 0.347 0.02 . 2 . . . A 43 VAL MG2 . 19826 1 504 . 1 1 43 43 VAL HG22 H 1 0.347 0.02 . 2 . . . A 43 VAL MG2 . 19826 1 505 . 1 1 43 43 VAL HG23 H 1 0.347 0.02 . 2 . . . A 43 VAL MG2 . 19826 1 506 . 1 1 43 43 VAL C C 13 175.310 0.4 . 1 . . . A 43 VAL C . 19826 1 507 . 1 1 43 43 VAL CA C 13 63.294 0.4 . 1 . . . A 43 VAL CA . 19826 1 508 . 1 1 43 43 VAL CB C 13 29.968 0.4 . 1 . . . A 43 VAL CB . 19826 1 509 . 1 1 43 43 VAL CG1 C 13 22.146 0.4 . 2 . . . A 43 VAL CG1 . 19826 1 510 . 1 1 43 43 VAL CG2 C 13 20.968 0.4 . 2 . . . A 43 VAL CG2 . 19826 1 511 . 1 1 43 43 VAL N N 15 117.074 0.4 . 1 . . . A 43 VAL N . 19826 1 512 . 1 1 44 44 SER H H 1 8.076 0.02 . 1 . . . A 44 SER H . 19826 1 513 . 1 1 44 44 SER HA H 1 5.469 0.02 . 1 . . . A 44 SER HA . 19826 1 514 . 1 1 44 44 SER HB2 H 1 3.113 0.02 . 2 . . . A 44 SER HB2 . 19826 1 515 . 1 1 44 44 SER HB3 H 1 3.566 0.02 . 2 . . . A 44 SER HB3 . 19826 1 516 . 1 1 44 44 SER C C 13 173.830 0.4 . 1 . . . A 44 SER C . 19826 1 517 . 1 1 44 44 SER CA C 13 57.576 0.4 . 1 . . . A 44 SER CA . 19826 1 518 . 1 1 44 44 SER CB C 13 68.363 0.4 . 1 . . . A 44 SER CB . 19826 1 519 . 1 1 44 44 SER N N 15 117.433 0.4 . 1 . . . A 44 SER N . 19826 1 520 . 1 1 45 45 PHE H H 1 7.763 0.02 . 1 . . . A 45 PHE H . 19826 1 521 . 1 1 45 45 PHE HA H 1 4.844 0.02 . 1 . . . A 45 PHE HA . 19826 1 522 . 1 1 45 45 PHE HB2 H 1 2.857 0.02 . 2 . . . A 45 PHE HB2 . 19826 1 523 . 1 1 45 45 PHE HB3 H 1 3.315 0.02 . 2 . . . A 45 PHE HB3 . 19826 1 524 . 1 1 45 45 PHE HD1 H 1 7.358 0.02 . 3 . . . A 45 PHE HD1 . 19826 1 525 . 1 1 45 45 PHE HD2 H 1 7.358 0.02 . 3 . . . A 45 PHE HD2 . 19826 1 526 . 1 1 45 45 PHE HE1 H 1 6.862 0.02 . 3 . . . A 45 PHE HE1 . 19826 1 527 . 1 1 45 45 PHE HE2 H 1 6.862 0.02 . 3 . . . A 45 PHE HE2 . 19826 1 528 . 1 1 45 45 PHE HZ H 1 6.617 0.02 . 1 . . . A 45 PHE HZ . 19826 1 529 . 1 1 45 45 PHE C C 13 175.380 0.4 . 1 . . . A 45 PHE C . 19826 1 530 . 1 1 45 45 PHE CA C 13 59.256 0.4 . 1 . . . A 45 PHE CA . 19826 1 531 . 1 1 45 45 PHE CB C 13 38.173 0.4 . 1 . . . A 45 PHE CB . 19826 1 532 . 1 1 45 45 PHE CD1 C 13 132.861 0.4 . 3 . . . A 45 PHE CD1 . 19826 1 533 . 1 1 45 45 PHE CD2 C 13 132.861 0.4 . 3 . . . A 45 PHE CD2 . 19826 1 534 . 1 1 45 45 PHE CE1 C 13 130.474 0.4 . 3 . . . A 45 PHE CE1 . 19826 1 535 . 1 1 45 45 PHE CE2 C 13 130.474 0.4 . 3 . . . A 45 PHE CE2 . 19826 1 536 . 1 1 45 45 PHE CZ C 13 129.105 0.4 . 1 . . . A 45 PHE CZ . 19826 1 537 . 1 1 45 45 PHE N N 15 120.559 0.4 . 1 . . . A 45 PHE N . 19826 1 538 . 1 1 46 46 ALA H H 1 7.802 0.02 . 1 . . . A 46 ALA H . 19826 1 539 . 1 1 46 46 ALA HA H 1 3.851 0.02 . 1 . . . A 46 ALA HA . 19826 1 540 . 1 1 46 46 ALA HB1 H 1 1.230 0.02 . 1 . . . A 46 ALA MB . 19826 1 541 . 1 1 46 46 ALA HB2 H 1 1.230 0.02 . 1 . . . A 46 ALA MB . 19826 1 542 . 1 1 46 46 ALA HB3 H 1 1.230 0.02 . 1 . . . A 46 ALA MB . 19826 1 543 . 1 1 46 46 ALA C C 13 179.960 0.4 . 1 . . . A 46 ALA C . 19826 1 544 . 1 1 46 46 ALA CA C 13 55.518 0.4 . 1 . . . A 46 ALA CA . 19826 1 545 . 1 1 46 46 ALA CB C 13 18.536 0.4 . 1 . . . A 46 ALA CB . 19826 1 546 . 1 1 46 46 ALA N N 15 120.994 0.4 . 1 . . . A 46 ALA N . 19826 1 547 . 1 1 47 47 GLU H H 1 9.045 0.02 . 1 . . . A 47 GLU H . 19826 1 548 . 1 1 47 47 GLU HA H 1 4.641 0.02 . 1 . . . A 47 GLU HA . 19826 1 549 . 1 1 47 47 GLU HB2 H 1 1.869 0.02 . 2 . . . A 47 GLU HB2 . 19826 1 550 . 1 1 47 47 GLU HB3 H 1 2.309 0.02 . 2 . . . A 47 GLU HB3 . 19826 1 551 . 1 1 47 47 GLU HG2 H 1 2.076 0.02 . 2 . . . A 47 GLU HG2 . 19826 1 552 . 1 1 47 47 GLU HG3 H 1 2.150 0.02 . 2 . . . A 47 GLU HG3 . 19826 1 553 . 1 1 47 47 GLU C C 13 176.610 0.4 . 1 . . . A 47 GLU C . 19826 1 554 . 1 1 47 47 GLU CA C 13 54.572 0.4 . 1 . . . A 47 GLU CA . 19826 1 555 . 1 1 47 47 GLU CB C 13 33.717 0.4 . 1 . . . A 47 GLU CB . 19826 1 556 . 1 1 47 47 GLU CG C 13 37.610 0.4 . 1 . . . A 47 GLU CG . 19826 1 557 . 1 1 47 47 GLU N N 15 115.261 0.4 . 1 . . . A 47 GLU N . 19826 1 558 . 1 1 48 48 GLU H H 1 9.220 0.02 . 1 . . . A 48 GLU H . 19826 1 559 . 1 1 48 48 GLU HA H 1 3.605 0.02 . 1 . . . A 48 GLU HA . 19826 1 560 . 1 1 48 48 GLU HB2 H 1 1.927 0.02 . 2 . . . A 48 GLU HB2 . 19826 1 561 . 1 1 48 48 GLU HB3 H 1 1.968 0.02 . 2 . . . A 48 GLU HB3 . 19826 1 562 . 1 1 48 48 GLU HG2 H 1 2.170 0.02 . 2 . . . A 48 GLU HG2 . 19826 1 563 . 1 1 48 48 GLU HG3 H 1 2.297 0.02 . 2 . . . A 48 GLU HG3 . 19826 1 564 . 1 1 48 48 GLU C C 13 176.260 0.4 . 1 . . . A 48 GLU C . 19826 1 565 . 1 1 48 48 GLU CA C 13 58.659 0.4 . 1 . . . A 48 GLU CA . 19826 1 566 . 1 1 48 48 GLU CB C 13 30.345 0.4 . 1 . . . A 48 GLU CB . 19826 1 567 . 1 1 48 48 GLU CG C 13 35.961 0.4 . 1 . . . A 48 GLU CG . 19826 1 568 . 1 1 48 48 GLU N N 15 122.843 0.4 . 1 . . . A 48 GLU N . 19826 1 569 . 1 1 49 49 ASN H H 1 8.288 0.02 . 1 . . . A 49 ASN H . 19826 1 570 . 1 1 49 49 ASN HA H 1 4.813 0.02 . 1 . . . A 49 ASN HA . 19826 1 571 . 1 1 49 49 ASN HB2 H 1 2.808 0.02 . 2 . . . A 49 ASN HB2 . 19826 1 572 . 1 1 49 49 ASN HD21 H 1 7.542 0.02 . 2 . . . A 49 ASN HD21 . 19826 1 573 . 1 1 49 49 ASN HD22 H 1 6.873 0.02 . 2 . . . A 49 ASN HD22 . 19826 1 574 . 1 1 49 49 ASN C C 13 174.530 0.4 . 1 . . . A 49 ASN C . 19826 1 575 . 1 1 49 49 ASN CA C 13 52.322 0.4 . 1 . . . A 49 ASN CA . 19826 1 576 . 1 1 49 49 ASN CB C 13 37.179 0.4 . 1 . . . A 49 ASN CB . 19826 1 577 . 1 1 49 49 ASN N N 15 114.278 0.4 . 1 . . . A 49 ASN N . 19826 1 578 . 1 1 49 49 ASN ND2 N 15 112.462 0.4 . 1 . . . A 49 ASN ND2 . 19826 1 579 . 1 1 50 50 GLU H H 1 6.604 0.02 . 1 . . . A 50 GLU H . 19826 1 580 . 1 1 50 50 GLU HA H 1 4.248 0.02 . 1 . . . A 50 GLU HA . 19826 1 581 . 1 1 50 50 GLU HB2 H 1 2.254 0.02 . 2 . . . A 50 GLU HB2 . 19826 1 582 . 1 1 50 50 GLU HB3 H 1 1.430 0.02 . 2 . . . A 50 GLU HB3 . 19826 1 583 . 1 1 50 50 GLU HG2 H 1 2.111 0.02 . 2 . . . A 50 GLU HG2 . 19826 1 584 . 1 1 50 50 GLU HG3 H 1 1.629 0.02 . 2 . . . A 50 GLU HG3 . 19826 1 585 . 1 1 50 50 GLU C C 13 173.650 0.4 . 1 . . . A 50 GLU C . 19826 1 586 . 1 1 50 50 GLU CA C 13 55.656 0.4 . 1 . . . A 50 GLU CA . 19826 1 587 . 1 1 50 50 GLU CB C 13 29.497 0.4 . 1 . . . A 50 GLU CB . 19826 1 588 . 1 1 50 50 GLU CG C 13 36.231 0.4 . 1 . . . A 50 GLU CG . 19826 1 589 . 1 1 50 50 GLU N N 15 120.295 0.4 . 1 . . . A 50 GLU N . 19826 1 590 . 1 1 51 51 SER H H 1 9.595 0.02 . 1 . . . A 51 SER H . 19826 1 591 . 1 1 51 51 SER HA H 1 4.711 0.02 . 1 . . . A 51 SER HA . 19826 1 592 . 1 1 51 51 SER HB2 H 1 3.626 0.02 . 2 . . . A 51 SER HB2 . 19826 1 593 . 1 1 51 51 SER HB3 H 1 3.782 0.02 . 2 . . . A 51 SER HB3 . 19826 1 594 . 1 1 51 51 SER C C 13 174.920 0.4 . 1 . . . A 51 SER C . 19826 1 595 . 1 1 51 51 SER CA C 13 55.810 0.4 . 1 . . . A 51 SER CA . 19826 1 596 . 1 1 51 51 SER CB C 13 65.607 0.4 . 1 . . . A 51 SER CB . 19826 1 597 . 1 1 51 51 SER N N 15 120.204 0.4 . 1 . . . A 51 SER N . 19826 1 598 . 1 1 52 52 LEU H H 1 8.778 0.02 . 1 . . . A 52 LEU H . 19826 1 599 . 1 1 52 52 LEU HA H 1 4.295 0.02 . 1 . . . A 52 LEU HA . 19826 1 600 . 1 1 52 52 LEU HB2 H 1 1.519 0.02 . 2 . . . A 52 LEU HB2 . 19826 1 601 . 1 1 52 52 LEU HB3 H 1 1.838 0.02 . 2 . . . A 52 LEU HB3 . 19826 1 602 . 1 1 52 52 LEU HG H 1 1.672 0.02 . 1 . . . A 52 LEU HG . 19826 1 603 . 1 1 52 52 LEU HD11 H 1 0.829 0.02 . 2 . . . A 52 LEU MD1 . 19826 1 604 . 1 1 52 52 LEU HD12 H 1 0.829 0.02 . 2 . . . A 52 LEU MD1 . 19826 1 605 . 1 1 52 52 LEU HD13 H 1 0.829 0.02 . 2 . . . A 52 LEU MD1 . 19826 1 606 . 1 1 52 52 LEU HD21 H 1 0.713 0.02 . 2 . . . A 52 LEU MD2 . 19826 1 607 . 1 1 52 52 LEU HD22 H 1 0.713 0.02 . 2 . . . A 52 LEU MD2 . 19826 1 608 . 1 1 52 52 LEU HD23 H 1 0.713 0.02 . 2 . . . A 52 LEU MD2 . 19826 1 609 . 1 1 52 52 LEU C C 13 177.180 0.4 . 1 . . . A 52 LEU C . 19826 1 610 . 1 1 52 52 LEU CA C 13 55.921 0.4 . 1 . . . A 52 LEU CA . 19826 1 611 . 1 1 52 52 LEU CB C 13 40.169 0.4 . 1 . . . A 52 LEU CB . 19826 1 612 . 1 1 52 52 LEU CG C 13 27.038 0.4 . 1 . . . A 52 LEU CG . 19826 1 613 . 1 1 52 52 LEU CD1 C 13 22.851 0.4 . 2 . . . A 52 LEU CD1 . 19826 1 614 . 1 1 52 52 LEU CD2 C 13 25.743 0.4 . 2 . . . A 52 LEU CD2 . 19826 1 615 . 1 1 52 52 LEU N N 15 123.411 0.4 . 1 . . . A 52 LEU N . 19826 1 616 . 1 1 53 53 ASP H H 1 8.261 0.02 . 1 . . . A 53 ASP H . 19826 1 617 . 1 1 53 53 ASP HA H 1 4.867 0.02 . 1 . . . A 53 ASP HA . 19826 1 618 . 1 1 53 53 ASP HB2 H 1 2.848 0.02 . 2 . . . A 53 ASP HB2 . 19826 1 619 . 1 1 53 53 ASP HB3 H 1 2.456 0.02 . 2 . . . A 53 ASP HB3 . 19826 1 620 . 1 1 53 53 ASP C C 13 176.010 0.4 . 1 . . . A 53 ASP C . 19826 1 621 . 1 1 53 53 ASP CA C 13 54.281 0.4 . 1 . . . A 53 ASP CA . 19826 1 622 . 1 1 53 53 ASP CB C 13 41.950 0.4 . 1 . . . A 53 ASP CB . 19826 1 623 . 1 1 53 53 ASP N N 15 118.958 0.4 . 1 . . . A 53 ASP N . 19826 1 624 . 1 1 54 54 ASP H H 1 7.326 0.02 . 1 . . . A 54 ASP H . 19826 1 625 . 1 1 54 54 ASP HA H 1 4.392 0.02 . 1 . . . A 54 ASP HA . 19826 1 626 . 1 1 54 54 ASP HB2 H 1 2.825 0.02 . 2 . . . A 54 ASP HB2 . 19826 1 627 . 1 1 54 54 ASP HB3 H 1 3.035 0.02 . 2 . . . A 54 ASP HB3 . 19826 1 628 . 1 1 54 54 ASP C C 13 176.670 0.4 . 1 . . . A 54 ASP C . 19826 1 629 . 1 1 54 54 ASP CA C 13 55.256 0.4 . 1 . . . A 54 ASP CA . 19826 1 630 . 1 1 54 54 ASP CB C 13 40.519 0.4 . 1 . . . A 54 ASP CB . 19826 1 631 . 1 1 54 54 ASP N N 15 122.643 0.4 . 1 . . . A 54 ASP N . 19826 1 632 . 1 1 55 55 GLN HA H 1 3.992 0.02 . 1 . . . A 55 GLN HA . 19826 1 633 . 1 1 55 55 GLN HB2 H 1 1.968 0.02 . 2 . . . A 55 GLN HB2 . 19826 1 634 . 1 1 55 55 GLN HB3 H 1 2.253 0.02 . 2 . . . A 55 GLN HB3 . 19826 1 635 . 1 1 55 55 GLN HG2 H 1 2.180 0.02 . 2 . . . A 55 GLN HG2 . 19826 1 636 . 1 1 55 55 GLN HG3 H 1 2.598 0.02 . 2 . . . A 55 GLN HG3 . 19826 1 637 . 1 1 55 55 GLN HE21 H 1 7.435 0.02 . 2 . . . A 55 GLN HE21 . 19826 1 638 . 1 1 55 55 GLN HE22 H 1 6.138 0.02 . 2 . . . A 55 GLN HE22 . 19826 1 639 . 1 1 55 55 GLN C C 13 175.280 0.4 . 1 . . . A 55 GLN C . 19826 1 640 . 1 1 55 55 GLN CA C 13 59.550 0.4 . 1 . . . A 55 GLN CA . 19826 1 641 . 1 1 55 55 GLN CB C 13 26.428 0.4 . 1 . . . A 55 GLN CB . 19826 1 642 . 1 1 55 55 GLN CG C 13 34.113 0.4 . 1 . . . A 55 GLN CG . 19826 1 643 . 1 1 55 55 GLN N N 15 119.949 0.4 . 1 . . . A 55 GLN N . 19826 1 644 . 1 1 55 55 GLN NE2 N 15 110.140 0.4 . 1 . . . A 55 GLN NE2 . 19826 1 645 . 1 1 56 56 ASN H H 1 9.272 0.02 . 1 . . . A 56 ASN H . 19826 1 646 . 1 1 56 56 ASN HA H 1 5.094 0.02 . 1 . . . A 56 ASN HA . 19826 1 647 . 1 1 56 56 ASN HB2 H 1 2.820 0.02 . 2 . . . A 56 ASN HB2 . 19826 1 648 . 1 1 56 56 ASN HD21 H 1 6.934 0.02 . 2 . . . A 56 ASN HD21 . 19826 1 649 . 1 1 56 56 ASN HD22 H 1 6.269 0.02 . 2 . . . A 56 ASN HD22 . 19826 1 650 . 1 1 56 56 ASN C C 13 175.060 0.4 . 1 . . . A 56 ASN C . 19826 1 651 . 1 1 56 56 ASN CA C 13 51.118 0.4 . 1 . . . A 56 ASN CA . 19826 1 652 . 1 1 56 56 ASN CB C 13 38.460 0.4 . 1 . . . A 56 ASN CB . 19826 1 653 . 1 1 56 56 ASN N N 15 115.264 0.4 . 1 . . . A 56 ASN N . 19826 1 654 . 1 1 56 56 ASN ND2 N 15 107.846 0.4 . 1 . . . A 56 ASN ND2 . 19826 1 655 . 1 1 57 57 ILE H H 1 8.140 0.02 . 1 . . . A 57 ILE H . 19826 1 656 . 1 1 57 57 ILE HA H 1 4.276 0.02 . 1 . . . A 57 ILE HA . 19826 1 657 . 1 1 57 57 ILE HB H 1 1.686 0.02 . 1 . . . A 57 ILE HB . 19826 1 658 . 1 1 57 57 ILE HG12 H 1 1.091 0.02 . 2 . . . A 57 ILE HG12 . 19826 1 659 . 1 1 57 57 ILE HG13 H 1 1.609 0.02 . 2 . . . A 57 ILE HG13 . 19826 1 660 . 1 1 57 57 ILE HG21 H 1 0.684 0.02 . 1 . . . A 57 ILE MG . 19826 1 661 . 1 1 57 57 ILE HG22 H 1 0.684 0.02 . 1 . . . A 57 ILE MG . 19826 1 662 . 1 1 57 57 ILE HG23 H 1 0.684 0.02 . 1 . . . A 57 ILE MG . 19826 1 663 . 1 1 57 57 ILE HD11 H 1 0.950 0.02 . 1 . . . A 57 ILE MD . 19826 1 664 . 1 1 57 57 ILE HD12 H 1 0.950 0.02 . 1 . . . A 57 ILE MD . 19826 1 665 . 1 1 57 57 ILE HD13 H 1 0.950 0.02 . 1 . . . A 57 ILE MD . 19826 1 666 . 1 1 57 57 ILE C C 13 174.360 0.4 . 1 . . . A 57 ILE C . 19826 1 667 . 1 1 57 57 ILE CA C 13 61.017 0.4 . 1 . . . A 57 ILE CA . 19826 1 668 . 1 1 57 57 ILE CB C 13 38.941 0.4 . 1 . . . A 57 ILE CB . 19826 1 669 . 1 1 57 57 ILE CG1 C 13 27.578 0.4 . 1 . . . A 57 ILE CG1 . 19826 1 670 . 1 1 57 57 ILE CG2 C 13 17.648 0.4 . 1 . . . A 57 ILE CG2 . 19826 1 671 . 1 1 57 57 ILE CD1 C 13 14.875 0.4 . 1 . . . A 57 ILE CD1 . 19826 1 672 . 1 1 57 57 ILE N N 15 132.871 0.4 . 1 . . . A 57 ILE N . 19826 1 673 . 1 1 58 58 SER H H 1 8.370 0.02 . 1 . . . A 58 SER H . 19826 1 674 . 1 1 58 58 SER HA H 1 5.809 0.02 . 1 . . . A 58 SER HA . 19826 1 675 . 1 1 58 58 SER HB2 H 1 3.999 0.02 . 2 . . . A 58 SER HB2 . 19826 1 676 . 1 1 58 58 SER HB3 H 1 3.390 0.02 . 2 . . . A 58 SER HB3 . 19826 1 677 . 1 1 58 58 SER C C 13 174.820 0.4 . 1 . . . A 58 SER C . 19826 1 678 . 1 1 58 58 SER CA C 13 57.523 0.4 . 1 . . . A 58 SER CA . 19826 1 679 . 1 1 58 58 SER CB C 13 64.172 0.4 . 1 . . . A 58 SER CB . 19826 1 680 . 1 1 58 58 SER N N 15 123.550 0.4 . 1 . . . A 58 SER N . 19826 1 681 . 1 1 59 59 ILE H H 1 9.283 0.02 . 1 . . . A 59 ILE H . 19826 1 682 . 1 1 59 59 ILE HA H 1 4.257 0.02 . 1 . . . A 59 ILE HA . 19826 1 683 . 1 1 59 59 ILE HB H 1 1.423 0.02 . 1 . . . A 59 ILE HB . 19826 1 684 . 1 1 59 59 ILE HG12 H 1 0.473 0.02 . 2 . . . A 59 ILE HG12 . 19826 1 685 . 1 1 59 59 ILE HG13 H 1 1.334 0.02 . 2 . . . A 59 ILE HG13 . 19826 1 686 . 1 1 59 59 ILE HG21 H 1 0.459 0.02 . 1 . . . A 59 ILE MG . 19826 1 687 . 1 1 59 59 ILE HG22 H 1 0.459 0.02 . 1 . . . A 59 ILE MG . 19826 1 688 . 1 1 59 59 ILE HG23 H 1 0.459 0.02 . 1 . . . A 59 ILE MG . 19826 1 689 . 1 1 59 59 ILE HD11 H 1 0.201 0.02 . 1 . . . A 59 ILE MD . 19826 1 690 . 1 1 59 59 ILE HD12 H 1 0.201 0.02 . 1 . . . A 59 ILE MD . 19826 1 691 . 1 1 59 59 ILE HD13 H 1 0.201 0.02 . 1 . . . A 59 ILE MD . 19826 1 692 . 1 1 59 59 ILE C C 13 172.420 0.4 . 1 . . . A 59 ILE C . 19826 1 693 . 1 1 59 59 ILE CA C 13 61.282 0.4 . 1 . . . A 59 ILE CA . 19826 1 694 . 1 1 59 59 ILE CB C 13 42.311 0.4 . 1 . . . A 59 ILE CB . 19826 1 695 . 1 1 59 59 ILE CG1 C 13 27.750 0.4 . 1 . . . A 59 ILE CG1 . 19826 1 696 . 1 1 59 59 ILE CG2 C 13 18.680 0.4 . 1 . . . A 59 ILE CG2 . 19826 1 697 . 1 1 59 59 ILE CD1 C 13 14.186 0.4 . 1 . . . A 59 ILE CD1 . 19826 1 698 . 1 1 59 59 ILE N N 15 127.136 0.4 . 1 . . . A 59 ILE N . 19826 1 699 . 1 1 60 60 ALA H H 1 9.194 0.02 . 1 . . . A 60 ALA H . 19826 1 700 . 1 1 60 60 ALA HA H 1 5.626 0.02 . 1 . . . A 60 ALA HA . 19826 1 701 . 1 1 60 60 ALA HB1 H 1 0.929 0.02 . 1 . . . A 60 ALA MB . 19826 1 702 . 1 1 60 60 ALA HB2 H 1 0.929 0.02 . 1 . . . A 60 ALA MB . 19826 1 703 . 1 1 60 60 ALA HB3 H 1 0.929 0.02 . 1 . . . A 60 ALA MB . 19826 1 704 . 1 1 60 60 ALA C C 13 174.470 0.4 . 1 . . . A 60 ALA C . 19826 1 705 . 1 1 60 60 ALA CA C 13 49.721 0.4 . 1 . . . A 60 ALA CA . 19826 1 706 . 1 1 60 60 ALA CB C 13 22.858 0.4 . 1 . . . A 60 ALA CB . 19826 1 707 . 1 1 60 60 ALA N N 15 129.776 0.4 . 1 . . . A 60 ALA N . 19826 1 708 . 1 1 61 61 GLY H H 1 7.993 0.02 . 1 . . . A 61 GLY H . 19826 1 709 . 1 1 61 61 GLY HA2 H 1 2.633 0.02 . 2 . . . A 61 GLY HA2 . 19826 1 710 . 1 1 61 61 GLY HA3 H 1 4.008 0.02 . 2 . . . A 61 GLY HA3 . 19826 1 711 . 1 1 61 61 GLY C C 13 171.770 0.4 . 1 . . . A 61 GLY C . 19826 1 712 . 1 1 61 61 GLY CA C 13 44.378 0.4 . 1 . . . A 61 GLY CA . 19826 1 713 . 1 1 61 61 GLY N N 15 102.548 0.4 . 1 . . . A 61 GLY N . 19826 1 714 . 1 1 62 62 HIS H H 1 9.169 0.02 . 1 . . . A 62 HIS H . 19826 1 715 . 1 1 62 62 HIS HA H 1 4.648 0.02 . 1 . . . A 62 HIS HA . 19826 1 716 . 1 1 62 62 HIS HB2 H 1 2.656 0.02 . 2 . . . A 62 HIS HB2 . 19826 1 717 . 1 1 62 62 HIS HB3 H 1 2.495 0.02 . 2 . . . A 62 HIS HB3 . 19826 1 718 . 1 1 62 62 HIS HD2 H 1 7.085 0.02 . 1 . . . A 62 HIS HD2 . 19826 1 719 . 1 1 62 62 HIS C C 13 175.030 0.4 . 1 . . . A 62 HIS C . 19826 1 720 . 1 1 62 62 HIS CA C 13 56.512 0.4 . 1 . . . A 62 HIS CA . 19826 1 721 . 1 1 62 62 HIS CB C 13 32.223 0.4 . 1 . . . A 62 HIS CB . 19826 1 722 . 1 1 62 62 HIS CD2 C 13 122.331 0.4 . 1 . . . A 62 HIS CD2 . 19826 1 723 . 1 1 62 62 HIS N N 15 119.886 0.4 . 1 . . . A 62 HIS N . 19826 1 724 . 1 1 63 63 THR HA H 1 4.789 0.02 . 1 . . . A 63 THR HA . 19826 1 725 . 1 1 63 63 THR HB H 1 4.179 0.02 . 1 . . . A 63 THR HB . 19826 1 726 . 1 1 63 63 THR HG21 H 1 1.278 0.02 . 1 . . . A 63 THR MG . 19826 1 727 . 1 1 63 63 THR HG22 H 1 1.278 0.02 . 1 . . . A 63 THR MG . 19826 1 728 . 1 1 63 63 THR HG23 H 1 1.278 0.02 . 1 . . . A 63 THR MG . 19826 1 729 . 1 1 63 63 THR C C 13 172.790 0.4 . 1 . . . A 63 THR C . 19826 1 730 . 1 1 63 63 THR CA C 13 58.820 0.4 . 1 . . . A 63 THR CA . 19826 1 731 . 1 1 63 63 THR CB C 13 68.221 0.4 . 1 . . . A 63 THR CB . 19826 1 732 . 1 1 63 63 THR CG2 C 13 21.563 0.4 . 1 . . . A 63 THR CG2 . 19826 1 733 . 1 1 63 63 THR N N 15 125.520 0.4 . 1 . . . A 63 THR N . 19826 1 734 . 1 1 64 64 PHE H H 1 8.787 0.02 . 1 . . . A 64 PHE H . 19826 1 735 . 1 1 64 64 PHE HA H 1 5.107 0.02 . 1 . . . A 64 PHE HA . 19826 1 736 . 1 1 64 64 PHE HB2 H 1 2.862 0.02 . 2 . . . A 64 PHE HB2 . 19826 1 737 . 1 1 64 64 PHE HB3 H 1 3.223 0.02 . 2 . . . A 64 PHE HB3 . 19826 1 738 . 1 1 64 64 PHE HD1 H 1 7.145 0.02 . 3 . . . A 64 PHE HD1 . 19826 1 739 . 1 1 64 64 PHE HD2 H 1 7.145 0.02 . 3 . . . A 64 PHE HD2 . 19826 1 740 . 1 1 64 64 PHE HE1 H 1 7.016 0.02 . 3 . . . A 64 PHE HE1 . 19826 1 741 . 1 1 64 64 PHE HE2 H 1 7.016 0.02 . 3 . . . A 64 PHE HE2 . 19826 1 742 . 1 1 64 64 PHE HZ H 1 6.785 0.02 . 1 . . . A 64 PHE HZ . 19826 1 743 . 1 1 64 64 PHE C C 13 175.960 0.4 . 1 . . . A 64 PHE C . 19826 1 744 . 1 1 64 64 PHE CA C 13 55.653 0.4 . 1 . . . A 64 PHE CA . 19826 1 745 . 1 1 64 64 PHE CB C 13 42.154 0.4 . 1 . . . A 64 PHE CB . 19826 1 746 . 1 1 64 64 PHE CD1 C 13 131.582 0.4 . 3 . . . A 64 PHE CD1 . 19826 1 747 . 1 1 64 64 PHE CD2 C 13 131.582 0.4 . 3 . . . A 64 PHE CD2 . 19826 1 748 . 1 1 64 64 PHE CE1 C 13 131.638 0.4 . 3 . . . A 64 PHE CE1 . 19826 1 749 . 1 1 64 64 PHE CE2 C 13 131.637 0.4 . 3 . . . A 64 PHE CE2 . 19826 1 750 . 1 1 64 64 PHE CZ C 13 128.863 0.4 . 1 . . . A 64 PHE CZ . 19826 1 751 . 1 1 64 64 PHE N N 15 125.400 0.4 . 1 . . . A 64 PHE N . 19826 1 752 . 1 1 65 65 ILE H H 1 8.731 0.02 . 1 . . . A 65 ILE H . 19826 1 753 . 1 1 65 65 ILE HA H 1 3.997 0.02 . 1 . . . A 65 ILE HA . 19826 1 754 . 1 1 65 65 ILE HB H 1 1.930 0.02 . 1 . . . A 65 ILE HB . 19826 1 755 . 1 1 65 65 ILE HG12 H 1 1.493 0.02 . 2 . . . A 65 ILE HG12 . 19826 1 756 . 1 1 65 65 ILE HG13 H 1 1.315 0.02 . 2 . . . A 65 ILE HG13 . 19826 1 757 . 1 1 65 65 ILE HG21 H 1 0.983 0.02 . 1 . . . A 65 ILE MG . 19826 1 758 . 1 1 65 65 ILE HG22 H 1 0.983 0.02 . 1 . . . A 65 ILE MG . 19826 1 759 . 1 1 65 65 ILE HG23 H 1 0.983 0.02 . 1 . . . A 65 ILE MG . 19826 1 760 . 1 1 65 65 ILE HD11 H 1 0.898 0.02 . 1 . . . A 65 ILE MD . 19826 1 761 . 1 1 65 65 ILE HD12 H 1 0.898 0.02 . 1 . . . A 65 ILE MD . 19826 1 762 . 1 1 65 65 ILE HD13 H 1 0.898 0.02 . 1 . . . A 65 ILE MD . 19826 1 763 . 1 1 65 65 ILE C C 13 176.130 0.4 . 1 . . . A 65 ILE C . 19826 1 764 . 1 1 65 65 ILE CA C 13 63.293 0.4 . 1 . . . A 65 ILE CA . 19826 1 765 . 1 1 65 65 ILE CB C 13 38.464 0.4 . 1 . . . A 65 ILE CB . 19826 1 766 . 1 1 65 65 ILE CG1 C 13 27.793 0.4 . 1 . . . A 65 ILE CG1 . 19826 1 767 . 1 1 65 65 ILE CG2 C 13 17.721 0.4 . 1 . . . A 65 ILE CG2 . 19826 1 768 . 1 1 65 65 ILE CD1 C 13 13.630 0.4 . 1 . . . A 65 ILE CD1 . 19826 1 769 . 1 1 65 65 ILE N N 15 121.692 0.4 . 1 . . . A 65 ILE N . 19826 1 770 . 1 1 66 66 ASP H H 1 8.432 0.02 . 1 . . . A 66 ASP H . 19826 1 771 . 1 1 66 66 ASP HA H 1 4.610 0.02 . 1 . . . A 66 ASP HA . 19826 1 772 . 1 1 66 66 ASP HB2 H 1 2.679 0.02 . 2 . . . A 66 ASP HB2 . 19826 1 773 . 1 1 66 66 ASP HB3 H 1 2.733 0.02 . 2 . . . A 66 ASP HB3 . 19826 1 774 . 1 1 66 66 ASP C C 13 175.730 0.4 . 1 . . . A 66 ASP C . 19826 1 775 . 1 1 66 66 ASP CA C 13 54.001 0.4 . 1 . . . A 66 ASP CA . 19826 1 776 . 1 1 66 66 ASP CB C 13 40.467 0.4 . 1 . . . A 66 ASP CB . 19826 1 777 . 1 1 66 66 ASP N N 15 117.254 0.4 . 1 . . . A 66 ASP N . 19826 1 778 . 1 1 67 67 ARG H H 1 7.789 0.02 . 1 . . . A 67 ARG H . 19826 1 779 . 1 1 67 67 ARG HA H 1 4.862 0.02 . 1 . . . A 67 ARG HA . 19826 1 780 . 1 1 67 67 ARG HB2 H 1 1.737 0.02 . 2 . . . A 67 ARG HB2 . 19826 1 781 . 1 1 67 67 ARG HB3 H 1 1.827 0.02 . 2 . . . A 67 ARG HB3 . 19826 1 782 . 1 1 67 67 ARG HG2 H 1 1.446 0.02 . 2 . . . A 67 ARG HG2 . 19826 1 783 . 1 1 67 67 ARG HG3 H 1 1.446 0.02 . 2 . . . A 67 ARG HG3 . 19826 1 784 . 1 1 67 67 ARG HD2 H 1 2.574 0.02 . 2 . . . A 67 ARG HD2 . 19826 1 785 . 1 1 67 67 ARG C C 13 172.710 0.4 . 1 . . . A 67 ARG C . 19826 1 786 . 1 1 67 67 ARG CA C 13 53.460 0.4 . 1 . . . A 67 ARG CA . 19826 1 787 . 1 1 67 67 ARG CB C 13 32.134 0.4 . 1 . . . A 67 ARG CB . 19826 1 788 . 1 1 67 67 ARG CG C 13 25.703 0.4 . 1 . . . A 67 ARG CG . 19826 1 789 . 1 1 67 67 ARG CD C 13 43.950 0.4 . 1 . . . A 67 ARG CD . 19826 1 790 . 1 1 67 67 ARG N N 15 119.705 0.4 . 1 . . . A 67 ARG N . 19826 1 791 . 1 1 68 68 PRO HA H 1 4.332 0.02 . 1 . . . A 68 PRO HA . 19826 1 792 . 1 1 68 68 PRO HB2 H 1 1.892 0.02 . 2 . . . A 68 PRO HB2 . 19826 1 793 . 1 1 68 68 PRO HB3 H 1 2.341 0.02 . 2 . . . A 68 PRO HB3 . 19826 1 794 . 1 1 68 68 PRO HG2 H 1 1.997 0.02 . 2 . . . A 68 PRO HG2 . 19826 1 795 . 1 1 68 68 PRO HG3 H 1 1.997 0.02 . 2 . . . A 68 PRO HG3 . 19826 1 796 . 1 1 68 68 PRO HD2 H 1 3.507 0.02 . 2 . . . A 68 PRO HD2 . 19826 1 797 . 1 1 68 68 PRO HD3 H 1 3.695 0.02 . 2 . . . A 68 PRO HD3 . 19826 1 798 . 1 1 68 68 PRO C C 13 176.880 0.4 . 1 . . . A 68 PRO C . 19826 1 799 . 1 1 68 68 PRO CA C 13 64.468 0.4 . 1 . . . A 68 PRO CA . 19826 1 800 . 1 1 68 68 PRO CB C 13 32.411 0.4 . 1 . . . A 68 PRO CB . 19826 1 801 . 1 1 68 68 PRO CG C 13 27.227 0.4 . 1 . . . A 68 PRO CG . 19826 1 802 . 1 1 68 68 PRO CD C 13 50.294 0.4 . 1 . . . A 68 PRO CD . 19826 1 803 . 1 1 69 69 ASN H H 1 8.485 0.02 . 1 . . . A 69 ASN H . 19826 1 804 . 1 1 69 69 ASN HA H 1 4.872 0.02 . 1 . . . A 69 ASN HA . 19826 1 805 . 1 1 69 69 ASN HB2 H 1 2.809 0.02 . 2 . . . A 69 ASN HB2 . 19826 1 806 . 1 1 69 69 ASN HB3 H 1 3.136 0.02 . 2 . . . A 69 ASN HB3 . 19826 1 807 . 1 1 69 69 ASN HD21 H 1 7.740 0.02 . 2 . . . A 69 ASN HD21 . 19826 1 808 . 1 1 69 69 ASN HD22 H 1 7.024 0.02 . 2 . . . A 69 ASN HD22 . 19826 1 809 . 1 1 69 69 ASN C C 13 174.510 0.4 . 1 . . . A 69 ASN C . 19826 1 810 . 1 1 69 69 ASN CA C 13 53.187 0.4 . 1 . . . A 69 ASN CA . 19826 1 811 . 1 1 69 69 ASN CB C 13 38.728 0.4 . 1 . . . A 69 ASN CB . 19826 1 812 . 1 1 69 69 ASN N N 15 113.699 0.4 . 1 . . . A 69 ASN N . 19826 1 813 . 1 1 69 69 ASN ND2 N 15 112.412 0.4 . 1 . . . A 69 ASN ND2 . 19826 1 814 . 1 1 70 70 TYR H H 1 7.906 0.02 . 1 . . . A 70 TYR H . 19826 1 815 . 1 1 70 70 TYR HA H 1 4.673 0.02 . 1 . . . A 70 TYR HA . 19826 1 816 . 1 1 70 70 TYR HB2 H 1 2.978 0.02 . 2 . . . A 70 TYR HB2 . 19826 1 817 . 1 1 70 70 TYR HB3 H 1 3.068 0.02 . 2 . . . A 70 TYR HB3 . 19826 1 818 . 1 1 70 70 TYR HD1 H 1 6.960 0.02 . 3 . . . A 70 TYR HD1 . 19826 1 819 . 1 1 70 70 TYR HD2 H 1 6.960 0.02 . 3 . . . A 70 TYR HD2 . 19826 1 820 . 1 1 70 70 TYR HE1 H 1 6.685 0.02 . 3 . . . A 70 TYR HE1 . 19826 1 821 . 1 1 70 70 TYR HE2 H 1 6.685 0.02 . 3 . . . A 70 TYR HE2 . 19826 1 822 . 1 1 70 70 TYR C C 13 175.380 0.4 . 1 . . . A 70 TYR C . 19826 1 823 . 1 1 70 70 TYR CA C 13 57.518 0.4 . 1 . . . A 70 TYR CA . 19826 1 824 . 1 1 70 70 TYR CB C 13 40.697 0.4 . 1 . . . A 70 TYR CB . 19826 1 825 . 1 1 70 70 TYR CD1 C 13 133.475 0.4 . 3 . . . A 70 TYR CD1 . 19826 1 826 . 1 1 70 70 TYR CD2 C 13 133.475 0.4 . 3 . . . A 70 TYR CD2 . 19826 1 827 . 1 1 70 70 TYR CE1 C 13 118.785 0.4 . 3 . . . A 70 TYR CE1 . 19826 1 828 . 1 1 70 70 TYR CE2 C 13 118.785 0.4 . 3 . . . A 70 TYR CE2 . 19826 1 829 . 1 1 70 70 TYR N N 15 120.850 0.4 . 1 . . . A 70 TYR N . 19826 1 830 . 1 1 71 71 GLN H H 1 9.200 0.02 . 1 . . . A 71 GLN H . 19826 1 831 . 1 1 71 71 GLN HA H 1 3.020 0.02 . 1 . . . A 71 GLN HA . 19826 1 832 . 1 1 71 71 GLN HB2 H 1 1.627 0.02 . 2 . . . A 71 GLN HB2 . 19826 1 833 . 1 1 71 71 GLN HB3 H 1 1.557 0.02 . 2 . . . A 71 GLN HB3 . 19826 1 834 . 1 1 71 71 GLN HG2 H 1 1.616 0.02 . 2 . . . A 71 GLN HG2 . 19826 1 835 . 1 1 71 71 GLN HG3 H 1 1.196 0.02 . 2 . . . A 71 GLN HG3 . 19826 1 836 . 1 1 71 71 GLN HE21 H 1 7.336 0.02 . 2 . . . A 71 GLN HE21 . 19826 1 837 . 1 1 71 71 GLN HE22 H 1 6.609 0.02 . 2 . . . A 71 GLN HE22 . 19826 1 838 . 1 1 71 71 GLN C C 13 175.450 0.4 . 1 . . . A 71 GLN C . 19826 1 839 . 1 1 71 71 GLN CA C 13 59.286 0.4 . 1 . . . A 71 GLN CA . 19826 1 840 . 1 1 71 71 GLN CB C 13 25.185 0.4 . 1 . . . A 71 GLN CB . 19826 1 841 . 1 1 71 71 GLN CG C 13 33.836 0.4 . 1 . . . A 71 GLN CG . 19826 1 842 . 1 1 71 71 GLN N N 15 127.817 0.4 . 1 . . . A 71 GLN N . 19826 1 843 . 1 1 71 71 GLN NE2 N 15 107.177 0.4 . 1 . . . A 71 GLN NE2 . 19826 1 844 . 1 1 72 72 PHE H H 1 8.378 0.02 . 1 . . . A 72 PHE H . 19826 1 845 . 1 1 72 72 PHE HA H 1 5.064 0.02 . 1 . . . A 72 PHE HA . 19826 1 846 . 1 1 72 72 PHE HB2 H 1 2.598 0.02 . 2 . . . A 72 PHE HB2 . 19826 1 847 . 1 1 72 72 PHE HB3 H 1 3.481 0.02 . 2 . . . A 72 PHE HB3 . 19826 1 848 . 1 1 72 72 PHE HD1 H 1 6.884 0.02 . 3 . . . A 72 PHE HD1 . 19826 1 849 . 1 1 72 72 PHE HD2 H 1 6.884 0.02 . 3 . . . A 72 PHE HD2 . 19826 1 850 . 1 1 72 72 PHE C C 13 176.550 0.4 . 1 . . . A 72 PHE C . 19826 1 851 . 1 1 72 72 PHE CA C 13 52.341 0.4 . 1 . . . A 72 PHE CA . 19826 1 852 . 1 1 72 72 PHE CB C 13 37.731 0.4 . 1 . . . A 72 PHE CB . 19826 1 853 . 1 1 72 72 PHE CD1 C 13 129.382 0.4 . 3 . . . A 72 PHE CD1 . 19826 1 854 . 1 1 72 72 PHE CD2 C 13 129.382 0.4 . 3 . . . A 72 PHE CD2 . 19826 1 855 . 1 1 72 72 PHE CE1 C 13 130.615 0.4 . 3 . . . A 72 PHE CE1 . 19826 1 856 . 1 1 72 72 PHE CE2 C 13 130.615 0.4 . 3 . . . A 72 PHE CE2 . 19826 1 857 . 1 1 72 72 PHE CZ C 13 130.763 0.4 . 1 . . . A 72 PHE CZ . 19826 1 858 . 1 1 72 72 PHE N N 15 121.430 0.4 . 1 . . . A 72 PHE N . 19826 1 859 . 1 1 73 73 THR H H 1 8.853 0.02 . 1 . . . A 73 THR H . 19826 1 860 . 1 1 73 73 THR HA H 1 4.176 0.02 . 1 . . . A 73 THR HA . 19826 1 861 . 1 1 73 73 THR HB H 1 4.206 0.02 . 1 . . . A 73 THR HB . 19826 1 862 . 1 1 73 73 THR HG21 H 1 1.463 0.02 . 1 . . . A 73 THR MG . 19826 1 863 . 1 1 73 73 THR HG22 H 1 1.463 0.02 . 1 . . . A 73 THR MG . 19826 1 864 . 1 1 73 73 THR HG23 H 1 1.463 0.02 . 1 . . . A 73 THR MG . 19826 1 865 . 1 1 73 73 THR C C 13 175.710 0.4 . 1 . . . A 73 THR C . 19826 1 866 . 1 1 73 73 THR CA C 13 68.104 0.4 . 1 . . . A 73 THR CA . 19826 1 867 . 1 1 73 73 THR CB C 13 69.543 0.4 . 1 . . . A 73 THR CB . 19826 1 868 . 1 1 73 73 THR CG2 C 13 22.699 0.4 . 1 . . . A 73 THR CG2 . 19826 1 869 . 1 1 73 73 THR N N 15 121.742 0.4 . 1 . . . A 73 THR N . 19826 1 870 . 1 1 74 74 ASN H H 1 9.807 0.02 . 1 . . . A 74 ASN H . 19826 1 871 . 1 1 74 74 ASN HA H 1 5.081 0.02 . 1 . . . A 74 ASN HA . 19826 1 872 . 1 1 74 74 ASN HB2 H 1 2.724 0.02 . 2 . . . A 74 ASN HB2 . 19826 1 873 . 1 1 74 74 ASN HB3 H 1 2.990 0.02 . 2 . . . A 74 ASN HB3 . 19826 1 874 . 1 1 74 74 ASN HD21 H 1 7.448 0.02 . 2 . . . A 74 ASN HD21 . 19826 1 875 . 1 1 74 74 ASN HD22 H 1 6.961 0.02 . 2 . . . A 74 ASN HD22 . 19826 1 876 . 1 1 74 74 ASN C C 13 176.690 0.4 . 1 . . . A 74 ASN C . 19826 1 877 . 1 1 74 74 ASN CA C 13 52.326 0.4 . 1 . . . A 74 ASN CA . 19826 1 878 . 1 1 74 74 ASN CB C 13 39.614 0.4 . 1 . . . A 74 ASN CB . 19826 1 879 . 1 1 74 74 ASN N N 15 117.260 0.4 . 1 . . . A 74 ASN N . 19826 1 880 . 1 1 74 74 ASN ND2 N 15 111.775 0.4 . 1 . . . A 74 ASN ND2 . 19826 1 881 . 1 1 75 75 LEU H H 1 7.781 0.02 . 1 . . . A 75 LEU H . 19826 1 882 . 1 1 75 75 LEU HA H 1 3.455 0.02 . 1 . . . A 75 LEU HA . 19826 1 883 . 1 1 75 75 LEU HB2 H 1 0.719 0.02 . 2 . . . A 75 LEU HB2 . 19826 1 884 . 1 1 75 75 LEU HB3 H 1 1.026 0.02 . 2 . . . A 75 LEU HB3 . 19826 1 885 . 1 1 75 75 LEU HG H 1 -0.017 0.02 . 1 . . . A 75 LEU HG . 19826 1 886 . 1 1 75 75 LEU HD11 H 1 -0.203 0.02 . 2 . . . A 75 LEU MD1 . 19826 1 887 . 1 1 75 75 LEU HD12 H 1 -0.203 0.02 . 2 . . . A 75 LEU MD1 . 19826 1 888 . 1 1 75 75 LEU HD13 H 1 -0.203 0.02 . 2 . . . A 75 LEU MD1 . 19826 1 889 . 1 1 75 75 LEU HD21 H 1 -0.498 0.02 . 2 . . . A 75 LEU MD2 . 19826 1 890 . 1 1 75 75 LEU HD22 H 1 -0.498 0.02 . 2 . . . A 75 LEU MD2 . 19826 1 891 . 1 1 75 75 LEU HD23 H 1 -0.498 0.02 . 2 . . . A 75 LEU MD2 . 19826 1 892 . 1 1 75 75 LEU C C 13 176.090 0.4 . 1 . . . A 75 LEU C . 19826 1 893 . 1 1 75 75 LEU CA C 13 57.548 0.4 . 1 . . . A 75 LEU CA . 19826 1 894 . 1 1 75 75 LEU CB C 13 41.058 0.4 . 1 . . . A 75 LEU CB . 19826 1 895 . 1 1 75 75 LEU CG C 13 25.452 0.4 . 1 . . . A 75 LEU CG . 19826 1 896 . 1 1 75 75 LEU CD1 C 13 23.575 0.4 . 2 . . . A 75 LEU CD1 . 19826 1 897 . 1 1 75 75 LEU CD2 C 13 25.450 0.4 . 2 . . . A 75 LEU CD2 . 19826 1 898 . 1 1 75 75 LEU N N 15 122.386 0.4 . 1 . . . A 75 LEU N . 19826 1 899 . 1 1 76 76 LYS H H 1 7.503 0.02 . 1 . . . A 76 LYS H . 19826 1 900 . 1 1 76 76 LYS HA H 1 4.299 0.02 . 1 . . . A 76 LYS HA . 19826 1 901 . 1 1 76 76 LYS HB2 H 1 1.932 0.02 . 2 . . . A 76 LYS HB2 . 19826 1 902 . 1 1 76 76 LYS HB3 H 1 2.034 0.02 . 2 . . . A 76 LYS HB3 . 19826 1 903 . 1 1 76 76 LYS HG2 H 1 1.375 0.02 . 2 . . . A 76 LYS HG2 . 19826 1 904 . 1 1 76 76 LYS HG3 H 1 1.539 0.02 . 2 . . . A 76 LYS HG3 . 19826 1 905 . 1 1 76 76 LYS HD2 H 1 1.778 0.02 . 2 . . . A 76 LYS HD2 . 19826 1 906 . 1 1 76 76 LYS HE2 H 1 3.105 0.02 . 2 . . . A 76 LYS HE2 . 19826 1 907 . 1 1 76 76 LYS HE3 H 1 3.105 0.02 . 2 . . . A 76 LYS HE3 . 19826 1 908 . 1 1 76 76 LYS C C 13 175.780 0.4 . 1 . . . A 76 LYS C . 19826 1 909 . 1 1 76 76 LYS CA C 13 57.627 0.4 . 1 . . . A 76 LYS CA . 19826 1 910 . 1 1 76 76 LYS CB C 13 31.550 0.4 . 1 . . . A 76 LYS CB . 19826 1 911 . 1 1 76 76 LYS CG C 13 23.552 0.4 . 1 . . . A 76 LYS CG . 19826 1 912 . 1 1 76 76 LYS CD C 13 29.523 0.4 . 1 . . . A 76 LYS CD . 19826 1 913 . 1 1 76 76 LYS CE C 13 42.184 0.4 . 1 . . . A 76 LYS CE . 19826 1 914 . 1 1 76 76 LYS N N 15 112.361 0.4 . 1 . . . A 76 LYS N . 19826 1 915 . 1 1 77 77 ALA H H 1 7.872 0.02 . 1 . . . A 77 ALA H . 19826 1 916 . 1 1 77 77 ALA HA H 1 4.260 0.02 . 1 . . . A 77 ALA HA . 19826 1 917 . 1 1 77 77 ALA HB1 H 1 1.451 0.02 . 1 . . . A 77 ALA MB . 19826 1 918 . 1 1 77 77 ALA HB2 H 1 1.451 0.02 . 1 . . . A 77 ALA MB . 19826 1 919 . 1 1 77 77 ALA HB3 H 1 1.451 0.02 . 1 . . . A 77 ALA MB . 19826 1 920 . 1 1 77 77 ALA C C 13 178.480 0.4 . 1 . . . A 77 ALA C . 19826 1 921 . 1 1 77 77 ALA CA C 13 53.030 0.4 . 1 . . . A 77 ALA CA . 19826 1 922 . 1 1 77 77 ALA CB C 13 19.412 0.4 . 1 . . . A 77 ALA CB . 19826 1 923 . 1 1 77 77 ALA N N 15 123.518 0.4 . 1 . . . A 77 ALA N . 19826 1 924 . 1 1 78 78 ALA H H 1 8.077 0.02 . 1 . . . A 78 ALA H . 19826 1 925 . 1 1 78 78 ALA HA H 1 4.088 0.02 . 1 . . . A 78 ALA HA . 19826 1 926 . 1 1 78 78 ALA HB1 H 1 1.253 0.02 . 1 . . . A 78 ALA MB . 19826 1 927 . 1 1 78 78 ALA HB2 H 1 1.253 0.02 . 1 . . . A 78 ALA MB . 19826 1 928 . 1 1 78 78 ALA HB3 H 1 1.253 0.02 . 1 . . . A 78 ALA MB . 19826 1 929 . 1 1 78 78 ALA C C 13 174.780 0.4 . 1 . . . A 78 ALA C . 19826 1 930 . 1 1 78 78 ALA CA C 13 51.953 0.4 . 1 . . . A 78 ALA CA . 19826 1 931 . 1 1 78 78 ALA CB C 13 19.194 0.4 . 1 . . . A 78 ALA CB . 19826 1 932 . 1 1 78 78 ALA N N 15 120.458 0.4 . 1 . . . A 78 ALA N . 19826 1 933 . 1 1 79 79 LYS H H 1 8.397 0.02 . 1 . . . A 79 LYS H . 19826 1 934 . 1 1 79 79 LYS HA H 1 4.577 0.02 . 1 . . . A 79 LYS HA . 19826 1 935 . 1 1 79 79 LYS HB2 H 1 1.876 0.02 . 2 . . . A 79 LYS HB2 . 19826 1 936 . 1 1 79 79 LYS HB3 H 1 1.686 0.02 . 2 . . . A 79 LYS HB3 . 19826 1 937 . 1 1 79 79 LYS HG2 H 1 1.345 0.02 . 2 . . . A 79 LYS HG2 . 19826 1 938 . 1 1 79 79 LYS HG3 H 1 1.345 0.02 . 2 . . . A 79 LYS HG3 . 19826 1 939 . 1 1 79 79 LYS HD2 H 1 1.654 0.02 . 2 . . . A 79 LYS HD2 . 19826 1 940 . 1 1 79 79 LYS HD3 H 1 1.654 0.02 . 2 . . . A 79 LYS HD3 . 19826 1 941 . 1 1 79 79 LYS HE2 H 1 2.960 0.02 . 2 . . . A 79 LYS HE2 . 19826 1 942 . 1 1 79 79 LYS C C 13 176.560 0.4 . 1 . . . A 79 LYS C . 19826 1 943 . 1 1 79 79 LYS CA C 13 54.039 0.4 . 1 . . . A 79 LYS CA . 19826 1 944 . 1 1 79 79 LYS CB C 13 35.860 0.4 . 1 . . . A 79 LYS CB . 19826 1 945 . 1 1 79 79 LYS CG C 13 23.931 0.4 . 1 . . . A 79 LYS CG . 19826 1 946 . 1 1 79 79 LYS CD C 13 29.381 0.4 . 1 . . . A 79 LYS CD . 19826 1 947 . 1 1 79 79 LYS CE C 13 41.910 0.4 . 1 . . . A 79 LYS CE . 19826 1 948 . 1 1 79 79 LYS N N 15 116.811 0.4 . 1 . . . A 79 LYS N . 19826 1 949 . 1 1 80 80 LYS H H 1 8.574 0.02 . 1 . . . A 80 LYS H . 19826 1 950 . 1 1 80 80 LYS HA H 1 3.604 0.02 . 1 . . . A 80 LYS HA . 19826 1 951 . 1 1 80 80 LYS HB2 H 1 1.715 0.02 . 2 . . . A 80 LYS HB2 . 19826 1 952 . 1 1 80 80 LYS HB3 H 1 1.715 0.02 . 2 . . . A 80 LYS HB3 . 19826 1 953 . 1 1 80 80 LYS HG2 H 1 1.203 0.02 . 2 . . . A 80 LYS HG2 . 19826 1 954 . 1 1 80 80 LYS HG3 H 1 1.462 0.02 . 2 . . . A 80 LYS HG3 . 19826 1 955 . 1 1 80 80 LYS HD2 H 1 1.727 0.02 . 2 . . . A 80 LYS HD2 . 19826 1 956 . 1 1 80 80 LYS HD3 H 1 1.727 0.02 . 2 . . . A 80 LYS HD3 . 19826 1 957 . 1 1 80 80 LYS HE2 H 1 3.034 0.02 . 2 . . . A 80 LYS HE2 . 19826 1 958 . 1 1 80 80 LYS HE3 H 1 3.034 0.02 . 2 . . . A 80 LYS HE3 . 19826 1 959 . 1 1 80 80 LYS C C 13 177.710 0.4 . 1 . . . A 80 LYS C . 19826 1 960 . 1 1 80 80 LYS CA C 13 59.783 0.4 . 1 . . . A 80 LYS CA . 19826 1 961 . 1 1 80 80 LYS CB C 13 31.520 0.4 . 1 . . . A 80 LYS CB . 19826 1 962 . 1 1 80 80 LYS CG C 13 25.880 0.4 . 1 . . . A 80 LYS CG . 19826 1 963 . 1 1 80 80 LYS CD C 13 29.597 0.4 . 1 . . . A 80 LYS CD . 19826 1 964 . 1 1 80 80 LYS CE C 13 41.923 0.4 . 1 . . . A 80 LYS CE . 19826 1 965 . 1 1 80 80 LYS N N 15 120.563 0.4 . 1 . . . A 80 LYS N . 19826 1 966 . 1 1 81 81 GLY H H 1 9.240 0.02 . 1 . . . A 81 GLY H . 19826 1 967 . 1 1 81 81 GLY HA2 H 1 3.440 0.02 . 2 . . . A 81 GLY HA2 . 19826 1 968 . 1 1 81 81 GLY HA3 H 1 4.571 0.02 . 2 . . . A 81 GLY HA3 . 19826 1 969 . 1 1 81 81 GLY C C 13 174.530 0.4 . 1 . . . A 81 GLY C . 19826 1 970 . 1 1 81 81 GLY CA C 13 45.080 0.4 . 1 . . . A 81 GLY CA . 19826 1 971 . 1 1 81 81 GLY N N 15 114.630 0.4 . 1 . . . A 81 GLY N . 19826 1 972 . 1 1 82 82 SER H H 1 8.610 0.02 . 1 . . . A 82 SER H . 19826 1 973 . 1 1 82 82 SER HA H 1 4.285 0.02 . 1 . . . A 82 SER HA . 19826 1 974 . 1 1 82 82 SER HB2 H 1 3.897 0.02 . 2 . . . A 82 SER HB2 . 19826 1 975 . 1 1 82 82 SER HB3 H 1 4.075 0.02 . 2 . . . A 82 SER HB3 . 19826 1 976 . 1 1 82 82 SER C C 13 173.990 0.4 . 1 . . . A 82 SER C . 19826 1 977 . 1 1 82 82 SER CA C 13 61.863 0.4 . 1 . . . A 82 SER CA . 19826 1 978 . 1 1 82 82 SER CB C 13 63.409 0.4 . 1 . . . A 82 SER CB . 19826 1 979 . 1 1 82 82 SER N N 15 119.022 0.4 . 1 . . . A 82 SER N . 19826 1 980 . 1 1 83 83 MET H H 1 8.486 0.02 . 1 . . . A 83 MET H . 19826 1 981 . 1 1 83 83 MET HA H 1 5.123 0.02 . 1 . . . A 83 MET HA . 19826 1 982 . 1 1 83 83 MET HB2 H 1 1.970 0.02 . 2 . . . A 83 MET HB2 . 19826 1 983 . 1 1 83 83 MET HB3 H 1 1.641 0.02 . 2 . . . A 83 MET HB3 . 19826 1 984 . 1 1 83 83 MET HG2 H 1 2.628 0.02 . 2 . . . A 83 MET HG2 . 19826 1 985 . 1 1 83 83 MET HG3 H 1 2.792 0.02 . 2 . . . A 83 MET HG3 . 19826 1 986 . 1 1 83 83 MET HE1 H 1 1.891 0.02 . 1 . . . A 83 MET ME . 19826 1 987 . 1 1 83 83 MET HE2 H 1 1.891 0.02 . 1 . . . A 83 MET ME . 19826 1 988 . 1 1 83 83 MET HE3 H 1 1.891 0.02 . 1 . . . A 83 MET ME . 19826 1 989 . 1 1 83 83 MET C C 13 176.200 0.4 . 1 . . . A 83 MET C . 19826 1 990 . 1 1 83 83 MET CA C 13 53.772 0.4 . 1 . . . A 83 MET CA . 19826 1 991 . 1 1 83 83 MET CB C 13 32.105 0.4 . 1 . . . A 83 MET CB . 19826 1 992 . 1 1 83 83 MET CG C 13 32.129 0.4 . 1 . . . A 83 MET CG . 19826 1 993 . 1 1 83 83 MET CE C 13 15.480 0.4 . 1 . . . A 83 MET CE . 19826 1 994 . 1 1 83 83 MET N N 15 122.063 0.4 . 1 . . . A 83 MET N . 19826 1 995 . 1 1 84 84 VAL H H 1 8.784 0.02 . 1 . . . A 84 VAL H . 19826 1 996 . 1 1 84 84 VAL HA H 1 4.438 0.02 . 1 . . . A 84 VAL HA . 19826 1 997 . 1 1 84 84 VAL HB H 1 1.647 0.02 . 1 . . . A 84 VAL HB . 19826 1 998 . 1 1 84 84 VAL HG11 H 1 0.653 0.02 . 2 . . . A 84 VAL MG1 . 19826 1 999 . 1 1 84 84 VAL HG12 H 1 0.653 0.02 . 2 . . . A 84 VAL MG1 . 19826 1 1000 . 1 1 84 84 VAL HG13 H 1 0.653 0.02 . 2 . . . A 84 VAL MG1 . 19826 1 1001 . 1 1 84 84 VAL HG21 H 1 0.629 0.02 . 2 . . . A 84 VAL MG2 . 19826 1 1002 . 1 1 84 84 VAL HG22 H 1 0.629 0.02 . 2 . . . A 84 VAL MG2 . 19826 1 1003 . 1 1 84 84 VAL HG23 H 1 0.629 0.02 . 2 . . . A 84 VAL MG2 . 19826 1 1004 . 1 1 84 84 VAL C C 13 173.730 0.4 . 1 . . . A 84 VAL C . 19826 1 1005 . 1 1 84 84 VAL CA C 13 60.769 0.4 . 1 . . . A 84 VAL CA . 19826 1 1006 . 1 1 84 84 VAL CB C 13 35.552 0.4 . 1 . . . A 84 VAL CB . 19826 1 1007 . 1 1 84 84 VAL CG1 C 13 20.838 0.4 . 2 . . . A 84 VAL CG1 . 19826 1 1008 . 1 1 84 84 VAL CG2 C 13 21.651 0.4 . 2 . . . A 84 VAL CG2 . 19826 1 1009 . 1 1 84 84 VAL N N 15 121.268 0.4 . 1 . . . A 84 VAL N . 19826 1 1010 . 1 1 85 85 TYR H H 1 9.296 0.02 . 1 . . . A 85 TYR H . 19826 1 1011 . 1 1 85 85 TYR HA H 1 5.688 0.02 . 1 . . . A 85 TYR HA . 19826 1 1012 . 1 1 85 85 TYR HB2 H 1 3.002 0.02 . 2 . . . A 85 TYR HB2 . 19826 1 1013 . 1 1 85 85 TYR HB3 H 1 2.868 0.02 . 2 . . . A 85 TYR HB3 . 19826 1 1014 . 1 1 85 85 TYR HD1 H 1 6.993 0.02 . 3 . . . A 85 TYR HD1 . 19826 1 1015 . 1 1 85 85 TYR HD2 H 1 6.993 0.02 . 3 . . . A 85 TYR HD2 . 19826 1 1016 . 1 1 85 85 TYR HE1 H 1 6.669 0.02 . 3 . . . A 85 TYR HE1 . 19826 1 1017 . 1 1 85 85 TYR HE2 H 1 6.669 0.02 . 3 . . . A 85 TYR HE2 . 19826 1 1018 . 1 1 85 85 TYR C C 13 174.790 0.4 . 1 . . . A 85 TYR C . 19826 1 1019 . 1 1 85 85 TYR CA C 13 55.812 0.4 . 1 . . . A 85 TYR CA . 19826 1 1020 . 1 1 85 85 TYR CB C 13 40.740 0.4 . 1 . . . A 85 TYR CB . 19826 1 1021 . 1 1 85 85 TYR CD1 C 13 133.426 0.4 . 3 . . . A 85 TYR CD1 . 19826 1 1022 . 1 1 85 85 TYR CD2 C 13 133.426 0.4 . 3 . . . A 85 TYR CD2 . 19826 1 1023 . 1 1 85 85 TYR CE1 C 13 117.804 0.4 . 3 . . . A 85 TYR CE1 . 19826 1 1024 . 1 1 85 85 TYR CE2 C 13 117.804 0.4 . 3 . . . A 85 TYR CE2 . 19826 1 1025 . 1 1 85 85 TYR N N 15 123.674 0.4 . 1 . . . A 85 TYR N . 19826 1 1026 . 1 1 86 86 PHE H H 1 9.665 0.02 . 1 . . . A 86 PHE H . 19826 1 1027 . 1 1 86 86 PHE HA H 1 5.997 0.02 . 1 . . . A 86 PHE HA . 19826 1 1028 . 1 1 86 86 PHE HB2 H 1 2.891 0.02 . 2 . . . A 86 PHE HB2 . 19826 1 1029 . 1 1 86 86 PHE HB3 H 1 3.555 0.02 . 2 . . . A 86 PHE HB3 . 19826 1 1030 . 1 1 86 86 PHE HD1 H 1 7.313 0.02 . 3 . . . A 86 PHE HD1 . 19826 1 1031 . 1 1 86 86 PHE HD2 H 1 7.313 0.02 . 3 . . . A 86 PHE HD2 . 19826 1 1032 . 1 1 86 86 PHE HZ H 1 6.916 0.02 . 1 . . . A 86 PHE HZ . 19826 1 1033 . 1 1 86 86 PHE C C 13 173.530 0.4 . 1 . . . A 86 PHE C . 19826 1 1034 . 1 1 86 86 PHE CA C 13 53.702 0.4 . 1 . . . A 86 PHE CA . 19826 1 1035 . 1 1 86 86 PHE CB C 13 42.873 0.4 . 1 . . . A 86 PHE CB . 19826 1 1036 . 1 1 86 86 PHE CD1 C 13 131.049 0.4 . 3 . . . A 86 PHE CD1 . 19826 1 1037 . 1 1 86 86 PHE CD2 C 13 131.049 0.4 . 3 . . . A 86 PHE CD2 . 19826 1 1038 . 1 1 86 86 PHE CE1 C 13 130.788 0.4 . 3 . . . A 86 PHE CE1 . 19826 1 1039 . 1 1 86 86 PHE CE2 C 13 130.608 0.4 . 3 . . . A 86 PHE CE2 . 19826 1 1040 . 1 1 86 86 PHE CZ C 13 127.768 0.4 . 1 . . . A 86 PHE CZ . 19826 1 1041 . 1 1 86 86 PHE N N 15 125.339 0.4 . 1 . . . A 86 PHE N . 19826 1 1042 . 1 1 87 87 LYS H H 1 9.434 0.02 . 1 . . . A 87 LYS H . 19826 1 1043 . 1 1 87 87 LYS HA H 1 5.163 0.02 . 1 . . . A 87 LYS HA . 19826 1 1044 . 1 1 87 87 LYS HB2 H 1 1.922 0.02 . 2 . . . A 87 LYS HB2 . 19826 1 1045 . 1 1 87 87 LYS HB3 H 1 1.738 0.02 . 2 . . . A 87 LYS HB3 . 19826 1 1046 . 1 1 87 87 LYS HG2 H 1 1.298 0.02 . 2 . . . A 87 LYS HG2 . 19826 1 1047 . 1 1 87 87 LYS HG3 H 1 1.453 0.02 . 2 . . . A 87 LYS HG3 . 19826 1 1048 . 1 1 87 87 LYS HD2 H 1 1.660 0.02 . 2 . . . A 87 LYS HD2 . 19826 1 1049 . 1 1 87 87 LYS HD3 H 1 1.660 0.02 . 2 . . . A 87 LYS HD3 . 19826 1 1050 . 1 1 87 87 LYS HE2 H 1 2.966 0.02 . 2 . . . A 87 LYS HE2 . 19826 1 1051 . 1 1 87 87 LYS HE3 H 1 2.966 0.02 . 2 . . . A 87 LYS HE3 . 19826 1 1052 . 1 1 87 87 LYS C C 13 175.040 0.4 . 1 . . . A 87 LYS C . 19826 1 1053 . 1 1 87 87 LYS CA C 13 55.362 0.4 . 1 . . . A 87 LYS CA . 19826 1 1054 . 1 1 87 87 LYS CB C 13 34.381 0.4 . 1 . . . A 87 LYS CB . 19826 1 1055 . 1 1 87 87 LYS CG C 13 25.440 0.4 . 1 . . . A 87 LYS CG . 19826 1 1056 . 1 1 87 87 LYS CD C 13 29.970 0.4 . 1 . . . A 87 LYS CD . 19826 1 1057 . 1 1 87 87 LYS CE C 13 42.520 0.4 . 1 . . . A 87 LYS CE . 19826 1 1058 . 1 1 87 87 LYS N N 15 130.196 0.4 . 1 . . . A 87 LYS N . 19826 1 1059 . 1 1 88 88 VAL H H 1 8.072 0.02 . 1 . . . A 88 VAL H . 19826 1 1060 . 1 1 88 88 VAL HA H 1 4.374 0.02 . 1 . . . A 88 VAL HA . 19826 1 1061 . 1 1 88 88 VAL HB H 1 1.649 0.02 . 1 . . . A 88 VAL HB . 19826 1 1062 . 1 1 88 88 VAL HG11 H 1 0.586 0.02 . 2 . . . A 88 VAL MG1 . 19826 1 1063 . 1 1 88 88 VAL HG12 H 1 0.586 0.02 . 2 . . . A 88 VAL MG1 . 19826 1 1064 . 1 1 88 88 VAL HG13 H 1 0.586 0.02 . 2 . . . A 88 VAL MG1 . 19826 1 1065 . 1 1 88 88 VAL HG21 H 1 0.461 0.02 . 2 . . . A 88 VAL MG2 . 19826 1 1066 . 1 1 88 88 VAL HG22 H 1 0.461 0.02 . 2 . . . A 88 VAL MG2 . 19826 1 1067 . 1 1 88 88 VAL HG23 H 1 0.461 0.02 . 2 . . . A 88 VAL MG2 . 19826 1 1068 . 1 1 88 88 VAL C C 13 175.770 0.4 . 1 . . . A 88 VAL C . 19826 1 1069 . 1 1 88 88 VAL CA C 13 59.360 0.4 . 1 . . . A 88 VAL CA . 19826 1 1070 . 1 1 88 88 VAL CB C 13 33.952 0.4 . 1 . . . A 88 VAL CB . 19826 1 1071 . 1 1 88 88 VAL CG1 C 13 19.209 0.4 . 2 . . . A 88 VAL CG1 . 19826 1 1072 . 1 1 88 88 VAL CG2 C 13 21.425 0.4 . 2 . . . A 88 VAL CG2 . 19826 1 1073 . 1 1 88 88 VAL N N 15 121.182 0.4 . 1 . . . A 88 VAL N . 19826 1 1074 . 1 1 89 89 GLY H H 1 9.071 0.02 . 1 . . . A 89 GLY H . 19826 1 1075 . 1 1 89 89 GLY HA2 H 1 3.694 0.02 . 2 . . . A 89 GLY HA2 . 19826 1 1076 . 1 1 89 89 GLY HA3 H 1 3.872 0.02 . 2 . . . A 89 GLY HA3 . 19826 1 1077 . 1 1 89 89 GLY C C 13 175.140 0.4 . 1 . . . A 89 GLY C . 19826 1 1078 . 1 1 89 89 GLY CA C 13 47.237 0.4 . 1 . . . A 89 GLY CA . 19826 1 1079 . 1 1 89 89 GLY N N 15 115.699 0.4 . 1 . . . A 89 GLY N . 19826 1 1080 . 1 1 90 90 ASN H H 1 9.015 0.02 . 1 . . . A 90 ASN H . 19826 1 1081 . 1 1 90 90 ASN HA H 1 4.790 0.02 . 1 . . . A 90 ASN HA . 19826 1 1082 . 1 1 90 90 ASN HB2 H 1 2.798 0.02 . 2 . . . A 90 ASN HB2 . 19826 1 1083 . 1 1 90 90 ASN HB3 H 1 2.932 0.02 . 2 . . . A 90 ASN HB3 . 19826 1 1084 . 1 1 90 90 ASN HD21 H 1 7.580 0.02 . 2 . . . A 90 ASN HD21 . 19826 1 1085 . 1 1 90 90 ASN HD22 H 1 6.914 0.02 . 2 . . . A 90 ASN HD22 . 19826 1 1086 . 1 1 90 90 ASN C C 13 174.960 0.4 . 1 . . . A 90 ASN C . 19826 1 1087 . 1 1 90 90 ASN CA C 13 53.126 0.4 . 1 . . . A 90 ASN CA . 19826 1 1088 . 1 1 90 90 ASN CB C 13 38.672 0.4 . 1 . . . A 90 ASN CB . 19826 1 1089 . 1 1 90 90 ASN N N 15 124.843 0.4 . 1 . . . A 90 ASN N . 19826 1 1090 . 1 1 90 90 ASN ND2 N 15 112.456 0.4 . 1 . . . A 90 ASN ND2 . 19826 1 1091 . 1 1 91 91 GLU H H 1 8.459 0.02 . 1 . . . A 91 GLU H . 19826 1 1092 . 1 1 91 91 GLU HA H 1 4.614 0.02 . 1 . . . A 91 GLU HA . 19826 1 1093 . 1 1 91 91 GLU HB2 H 1 2.102 0.02 . 2 . . . A 91 GLU HB2 . 19826 1 1094 . 1 1 91 91 GLU HB3 H 1 2.139 0.02 . 2 . . . A 91 GLU HB3 . 19826 1 1095 . 1 1 91 91 GLU HG2 H 1 2.263 0.02 . 2 . . . A 91 GLU HG2 . 19826 1 1096 . 1 1 91 91 GLU HG3 H 1 2.210 0.02 . 2 . . . A 91 GLU HG3 . 19826 1 1097 . 1 1 91 91 GLU C C 13 175.740 0.4 . 1 . . . A 91 GLU C . 19826 1 1098 . 1 1 91 91 GLU CA C 13 55.763 0.4 . 1 . . . A 91 GLU CA . 19826 1 1099 . 1 1 91 91 GLU CB C 13 32.505 0.4 . 1 . . . A 91 GLU CB . 19826 1 1100 . 1 1 91 91 GLU CG C 13 36.392 0.4 . 1 . . . A 91 GLU CG . 19826 1 1101 . 1 1 91 91 GLU N N 15 121.207 0.4 . 1 . . . A 91 GLU N . 19826 1 1102 . 1 1 92 92 THR H H 1 8.755 0.02 . 1 . . . A 92 THR H . 19826 1 1103 . 1 1 92 92 THR HA H 1 4.662 0.02 . 1 . . . A 92 THR HA . 19826 1 1104 . 1 1 92 92 THR HB H 1 4.027 0.02 . 1 . . . A 92 THR HB . 19826 1 1105 . 1 1 92 92 THR HG21 H 1 1.145 0.02 . 1 . . . A 92 THR MG . 19826 1 1106 . 1 1 92 92 THR HG22 H 1 1.145 0.02 . 1 . . . A 92 THR MG . 19826 1 1107 . 1 1 92 92 THR HG23 H 1 1.145 0.02 . 1 . . . A 92 THR MG . 19826 1 1108 . 1 1 92 92 THR C C 13 174.150 0.4 . 1 . . . A 92 THR C . 19826 1 1109 . 1 1 92 92 THR CA C 13 62.719 0.4 . 1 . . . A 92 THR CA . 19826 1 1110 . 1 1 92 92 THR CB C 13 69.590 0.4 . 1 . . . A 92 THR CB . 19826 1 1111 . 1 1 92 92 THR CG2 C 13 21.910 0.4 . 1 . . . A 92 THR CG2 . 19826 1 1112 . 1 1 92 92 THR N N 15 120.456 0.4 . 1 . . . A 92 THR N . 19826 1 1113 . 1 1 93 93 ARG H H 1 9.333 0.02 . 1 . . . A 93 ARG H . 19826 1 1114 . 1 1 93 93 ARG HA H 1 4.512 0.02 . 1 . . . A 93 ARG HA . 19826 1 1115 . 1 1 93 93 ARG HB2 H 1 2.344 0.02 . 2 . . . A 93 ARG HB2 . 19826 1 1116 . 1 1 93 93 ARG HB3 H 1 1.944 0.02 . 2 . . . A 93 ARG HB3 . 19826 1 1117 . 1 1 93 93 ARG HG2 H 1 1.710 0.02 . 2 . . . A 93 ARG HG2 . 19826 1 1118 . 1 1 93 93 ARG HG3 H 1 1.739 0.02 . 2 . . . A 93 ARG HG3 . 19826 1 1119 . 1 1 93 93 ARG HD2 H 1 3.151 0.02 . 2 . . . A 93 ARG HD2 . 19826 1 1120 . 1 1 93 93 ARG HD3 H 1 3.383 0.02 . 2 . . . A 93 ARG HD3 . 19826 1 1121 . 1 1 93 93 ARG C C 13 174.530 0.4 . 1 . . . A 93 ARG C . 19826 1 1122 . 1 1 93 93 ARG CA C 13 56.040 0.4 . 1 . . . A 93 ARG CA . 19826 1 1123 . 1 1 93 93 ARG CB C 13 32.703 0.4 . 1 . . . A 93 ARG CB . 19826 1 1124 . 1 1 93 93 ARG CG C 13 27.985 0.4 . 1 . . . A 93 ARG CG . 19826 1 1125 . 1 1 93 93 ARG CD C 13 44.465 0.4 . 1 . . . A 93 ARG CD . 19826 1 1126 . 1 1 93 93 ARG N N 15 129.018 0.4 . 1 . . . A 93 ARG N . 19826 1 1127 . 1 1 94 94 LYS H H 1 8.415 0.02 . 1 . . . A 94 LYS H . 19826 1 1128 . 1 1 94 94 LYS HA H 1 5.116 0.02 . 1 . . . A 94 LYS HA . 19826 1 1129 . 1 1 94 94 LYS HB2 H 1 1.727 0.02 . 2 . . . A 94 LYS HB2 . 19826 1 1130 . 1 1 94 94 LYS HB3 H 1 1.533 0.02 . 2 . . . A 94 LYS HB3 . 19826 1 1131 . 1 1 94 94 LYS HG2 H 1 1.378 0.02 . 2 . . . A 94 LYS HG2 . 19826 1 1132 . 1 1 94 94 LYS HG3 H 1 1.378 0.02 . 2 . . . A 94 LYS HG3 . 19826 1 1133 . 1 1 94 94 LYS HD2 H 1 1.669 0.02 . 2 . . . A 94 LYS HD2 . 19826 1 1134 . 1 1 94 94 LYS HD3 H 1 1.782 0.02 . 2 . . . A 94 LYS HD3 . 19826 1 1135 . 1 1 94 94 LYS HE2 H 1 2.930 0.02 . 2 . . . A 94 LYS HE2 . 19826 1 1136 . 1 1 94 94 LYS HE3 H 1 2.930 0.02 . 2 . . . A 94 LYS HE3 . 19826 1 1137 . 1 1 94 94 LYS C C 13 174.680 0.4 . 1 . . . A 94 LYS C . 19826 1 1138 . 1 1 94 94 LYS CA C 13 55.194 0.4 . 1 . . . A 94 LYS CA . 19826 1 1139 . 1 1 94 94 LYS CB C 13 35.582 0.4 . 1 . . . A 94 LYS CB . 19826 1 1140 . 1 1 94 94 LYS CG C 13 25.200 0.4 . 1 . . . A 94 LYS CG . 19826 1 1141 . 1 1 94 94 LYS CD C 13 29.823 0.4 . 1 . . . A 94 LYS CD . 19826 1 1142 . 1 1 94 94 LYS CE C 13 41.951 0.4 . 1 . . . A 94 LYS CE . 19826 1 1143 . 1 1 94 94 LYS N N 15 122.361 0.4 . 1 . . . A 94 LYS N . 19826 1 1144 . 1 1 95 95 TYR H H 1 9.063 0.02 . 1 . . . A 95 TYR H . 19826 1 1145 . 1 1 95 95 TYR HA H 1 5.068 0.02 . 1 . . . A 95 TYR HA . 19826 1 1146 . 1 1 95 95 TYR HB2 H 1 2.300 0.02 . 2 . . . A 95 TYR HB2 . 19826 1 1147 . 1 1 95 95 TYR HB3 H 1 2.410 0.02 . 2 . . . A 95 TYR HB3 . 19826 1 1148 . 1 1 95 95 TYR HD1 H 1 6.792 0.02 . 3 . . . A 95 TYR HD1 . 19826 1 1149 . 1 1 95 95 TYR HD2 H 1 6.792 0.02 . 3 . . . A 95 TYR HD2 . 19826 1 1150 . 1 1 95 95 TYR HE1 H 1 6.513 0.02 . 3 . . . A 95 TYR HE1 . 19826 1 1151 . 1 1 95 95 TYR HE2 H 1 6.513 0.02 . 3 . . . A 95 TYR HE2 . 19826 1 1152 . 1 1 95 95 TYR C C 13 173.340 0.4 . 1 . . . A 95 TYR C . 19826 1 1153 . 1 1 95 95 TYR CA C 13 55.226 0.4 . 1 . . . A 95 TYR CA . 19826 1 1154 . 1 1 95 95 TYR CB C 13 43.500 0.4 . 1 . . . A 95 TYR CB . 19826 1 1155 . 1 1 95 95 TYR CD1 C 13 133.617 0.4 . 3 . . . A 95 TYR CD1 . 19826 1 1156 . 1 1 95 95 TYR CD2 C 13 133.617 0.4 . 3 . . . A 95 TYR CD2 . 19826 1 1157 . 1 1 95 95 TYR CE1 C 13 117.842 0.4 . 3 . . . A 95 TYR CE1 . 19826 1 1158 . 1 1 95 95 TYR CE2 C 13 117.842 0.4 . 3 . . . A 95 TYR CE2 . 19826 1 1159 . 1 1 95 95 TYR N N 15 119.716 0.4 . 1 . . . A 95 TYR N . 19826 1 1160 . 1 1 96 96 LYS H H 1 8.997 0.02 . 1 . . . A 96 LYS H . 19826 1 1161 . 1 1 96 96 LYS HA H 1 5.110 0.02 . 1 . . . A 96 LYS HA . 19826 1 1162 . 1 1 96 96 LYS HB2 H 1 1.683 0.02 . 2 . . . A 96 LYS HB2 . 19826 1 1163 . 1 1 96 96 LYS HB3 H 1 1.477 0.02 . 2 . . . A 96 LYS HB3 . 19826 1 1164 . 1 1 96 96 LYS HG2 H 1 1.298 0.02 . 2 . . . A 96 LYS HG2 . 19826 1 1165 . 1 1 96 96 LYS HG3 H 1 1.298 0.02 . 2 . . . A 96 LYS HG3 . 19826 1 1166 . 1 1 96 96 LYS HD2 H 1 1.666 0.02 . 2 . . . A 96 LYS HD2 . 19826 1 1167 . 1 1 96 96 LYS HD3 H 1 1.666 0.02 . 2 . . . A 96 LYS HD3 . 19826 1 1168 . 1 1 96 96 LYS HE2 H 1 2.950 0.02 . 2 . . . A 96 LYS HE2 . 19826 1 1169 . 1 1 96 96 LYS HE3 H 1 2.950 0.02 . 2 . . . A 96 LYS HE3 . 19826 1 1170 . 1 1 96 96 LYS C C 13 176.800 0.4 . 1 . . . A 96 LYS C . 19826 1 1171 . 1 1 96 96 LYS CA C 13 54.248 0.4 . 1 . . . A 96 LYS CA . 19826 1 1172 . 1 1 96 96 LYS CB C 13 36.440 0.4 . 1 . . . A 96 LYS CB . 19826 1 1173 . 1 1 96 96 LYS CG C 13 24.850 0.4 . 1 . . . A 96 LYS CG . 19826 1 1174 . 1 1 96 96 LYS CD C 13 29.970 0.4 . 1 . . . A 96 LYS CD . 19826 1 1175 . 1 1 96 96 LYS CE C 13 42.310 0.4 . 1 . . . A 96 LYS CE . 19826 1 1176 . 1 1 96 96 LYS N N 15 119.676 0.4 . 1 . . . A 96 LYS N . 19826 1 1177 . 1 1 97 97 MET H H 1 9.234 0.02 . 1 . . . A 97 MET H . 19826 1 1178 . 1 1 97 97 MET HA H 1 4.566 0.02 . 1 . . . A 97 MET HA . 19826 1 1179 . 1 1 97 97 MET HB2 H 1 2.290 0.02 . 2 . . . A 97 MET HB2 . 19826 1 1180 . 1 1 97 97 MET HB3 H 1 2.290 0.02 . 2 . . . A 97 MET HB3 . 19826 1 1181 . 1 1 97 97 MET HG2 H 1 2.398 0.02 . 2 . . . A 97 MET HG2 . 19826 1 1182 . 1 1 97 97 MET HG3 H 1 2.398 0.02 . 2 . . . A 97 MET HG3 . 19826 1 1183 . 1 1 97 97 MET HE1 H 1 1.610 0.02 . 1 . . . A 97 MET ME . 19826 1 1184 . 1 1 97 97 MET HE2 H 1 1.610 0.02 . 1 . . . A 97 MET ME . 19826 1 1185 . 1 1 97 97 MET HE3 H 1 1.610 0.02 . 1 . . . A 97 MET ME . 19826 1 1186 . 1 1 97 97 MET C C 13 176.090 0.4 . 1 . . . A 97 MET C . 19826 1 1187 . 1 1 97 97 MET CA C 13 57.123 0.4 . 1 . . . A 97 MET CA . 19826 1 1188 . 1 1 97 97 MET CB C 13 32.490 0.4 . 1 . . . A 97 MET CB . 19826 1 1189 . 1 1 97 97 MET CG C 13 32.955 0.4 . 1 . . . A 97 MET CG . 19826 1 1190 . 1 1 97 97 MET CE C 13 17.150 0.4 . 1 . . . A 97 MET CE . 19826 1 1191 . 1 1 97 97 MET N N 15 125.305 0.4 . 1 . . . A 97 MET N . 19826 1 1192 . 1 1 98 98 THR H H 1 10.168 0.02 . 1 . . . A 98 THR H . 19826 1 1193 . 1 1 98 98 THR HA H 1 4.569 0.02 . 1 . . . A 98 THR HA . 19826 1 1194 . 1 1 98 98 THR HB H 1 4.266 0.02 . 1 . . . A 98 THR HB . 19826 1 1195 . 1 1 98 98 THR HG21 H 1 1.328 0.02 . 1 . . . A 98 THR MG . 19826 1 1196 . 1 1 98 98 THR HG22 H 1 1.328 0.02 . 1 . . . A 98 THR MG . 19826 1 1197 . 1 1 98 98 THR HG23 H 1 1.328 0.02 . 1 . . . A 98 THR MG . 19826 1 1198 . 1 1 98 98 THR C C 13 173.850 0.4 . 1 . . . A 98 THR C . 19826 1 1199 . 1 1 98 98 THR CA C 13 62.730 0.4 . 1 . . . A 98 THR CA . 19826 1 1200 . 1 1 98 98 THR CB C 13 70.844 0.4 . 1 . . . A 98 THR CB . 19826 1 1201 . 1 1 98 98 THR CG2 C 13 22.573 0.4 . 1 . . . A 98 THR CG2 . 19826 1 1202 . 1 1 98 98 THR N N 15 120.886 0.4 . 1 . . . A 98 THR N . 19826 1 1203 . 1 1 99 99 SER H H 1 7.853 0.02 . 1 . . . A 99 SER H . 19826 1 1204 . 1 1 99 99 SER HA H 1 4.632 0.02 . 1 . . . A 99 SER HA . 19826 1 1205 . 1 1 99 99 SER HB2 H 1 3.597 0.02 . 2 . . . A 99 SER HB2 . 19826 1 1206 . 1 1 99 99 SER HB3 H 1 3.728 0.02 . 2 . . . A 99 SER HB3 . 19826 1 1207 . 1 1 99 99 SER CA C 13 58.227 0.4 . 1 . . . A 99 SER CA . 19826 1 1208 . 1 1 99 99 SER CB C 13 64.728 0.4 . 1 . . . A 99 SER CB . 19826 1 1209 . 1 1 99 99 SER N N 15 115.211 0.4 . 1 . . . A 99 SER N . 19826 1 1210 . 1 1 100 100 ILE H H 1 8.117 0.02 . 1 . . . A 100 ILE H . 19826 1 1211 . 1 1 100 100 ILE HA H 1 4.702 0.02 . 1 . . . A 100 ILE HA . 19826 1 1212 . 1 1 100 100 ILE HB H 1 1.384 0.02 . 1 . . . A 100 ILE HB . 19826 1 1213 . 1 1 100 100 ILE HG12 H 1 0.897 0.02 . 2 . . . A 100 ILE HG12 . 19826 1 1214 . 1 1 100 100 ILE HG13 H 1 1.265 0.02 . 2 . . . A 100 ILE HG13 . 19826 1 1215 . 1 1 100 100 ILE HG21 H 1 0.053 0.02 . 1 . . . A 100 ILE MG . 19826 1 1216 . 1 1 100 100 ILE HG22 H 1 0.053 0.02 . 1 . . . A 100 ILE MG . 19826 1 1217 . 1 1 100 100 ILE HG23 H 1 0.053 0.02 . 1 . . . A 100 ILE MG . 19826 1 1218 . 1 1 100 100 ILE HD11 H 1 0.756 0.02 . 1 . . . A 100 ILE MD . 19826 1 1219 . 1 1 100 100 ILE HD12 H 1 0.756 0.02 . 1 . . . A 100 ILE MD . 19826 1 1220 . 1 1 100 100 ILE HD13 H 1 0.756 0.02 . 1 . . . A 100 ILE MD . 19826 1 1221 . 1 1 100 100 ILE C C 13 175.820 0.4 . 1 . . . A 100 ILE C . 19826 1 1222 . 1 1 100 100 ILE CA C 13 61.004 0.4 . 1 . . . A 100 ILE CA . 19826 1 1223 . 1 1 100 100 ILE CB C 13 41.608 0.4 . 1 . . . A 100 ILE CB . 19826 1 1224 . 1 1 100 100 ILE CG1 C 13 27.371 0.4 . 1 . . . A 100 ILE CG1 . 19826 1 1225 . 1 1 100 100 ILE CG2 C 13 16.749 0.4 . 1 . . . A 100 ILE CG2 . 19826 1 1226 . 1 1 100 100 ILE CD1 C 13 14.336 0.4 . 1 . . . A 100 ILE CD1 . 19826 1 1227 . 1 1 100 100 ILE N N 15 125.517 0.4 . 1 . . . A 100 ILE N . 19826 1 1228 . 1 1 101 101 ARG H H 1 8.805 0.02 . 1 . . . A 101 ARG H . 19826 1 1229 . 1 1 101 101 ARG HA H 1 4.708 0.02 . 1 . . . A 101 ARG HA . 19826 1 1230 . 1 1 101 101 ARG HB2 H 1 1.596 0.02 . 2 . . . A 101 ARG HB2 . 19826 1 1231 . 1 1 101 101 ARG HB3 H 1 1.744 0.02 . 2 . . . A 101 ARG HB3 . 19826 1 1232 . 1 1 101 101 ARG HG2 H 1 1.309 0.02 . 2 . . . A 101 ARG HG2 . 19826 1 1233 . 1 1 101 101 ARG HG3 H 1 1.445 0.02 . 2 . . . A 101 ARG HG3 . 19826 1 1234 . 1 1 101 101 ARG HD2 H 1 3.081 0.02 . 2 . . . A 101 ARG HD2 . 19826 1 1235 . 1 1 101 101 ARG HD3 H 1 2.964 0.02 . 2 . . . A 101 ARG HD3 . 19826 1 1236 . 1 1 101 101 ARG C C 13 173.570 0.4 . 1 . . . A 101 ARG C . 19826 1 1237 . 1 1 101 101 ARG CA C 13 54.861 0.4 . 1 . . . A 101 ARG CA . 19826 1 1238 . 1 1 101 101 ARG CB C 13 33.844 0.4 . 1 . . . A 101 ARG CB . 19826 1 1239 . 1 1 101 101 ARG CG C 13 26.376 0.4 . 1 . . . A 101 ARG CG . 19826 1 1240 . 1 1 101 101 ARG CD C 13 43.811 0.4 . 1 . . . A 101 ARG CD . 19826 1 1241 . 1 1 101 101 ARG N N 15 124.429 0.4 . 1 . . . A 101 ARG N . 19826 1 1242 . 1 1 102 102 ASP H H 1 8.393 0.02 . 1 . . . A 102 ASP H . 19826 1 1243 . 1 1 102 102 ASP HA H 1 5.265 0.02 . 1 . . . A 102 ASP HA . 19826 1 1244 . 1 1 102 102 ASP HB2 H 1 2.532 0.02 . 2 . . . A 102 ASP HB2 . 19826 1 1245 . 1 1 102 102 ASP HB3 H 1 2.677 0.02 . 2 . . . A 102 ASP HB3 . 19826 1 1246 . 1 1 102 102 ASP C C 13 175.910 0.4 . 1 . . . A 102 ASP C . 19826 1 1247 . 1 1 102 102 ASP CA C 13 54.192 0.4 . 1 . . . A 102 ASP CA . 19826 1 1248 . 1 1 102 102 ASP CB C 13 42.057 0.4 . 1 . . . A 102 ASP CB . 19826 1 1249 . 1 1 102 102 ASP N N 15 121.743 0.4 . 1 . . . A 102 ASP N . 19826 1 1250 . 1 1 103 103 VAL H H 1 9.200 0.02 . 1 . . . A 103 VAL H . 19826 1 1251 . 1 1 103 103 VAL HA H 1 4.753 0.02 . 1 . . . A 103 VAL HA . 19826 1 1252 . 1 1 103 103 VAL HB H 1 2.569 0.02 . 1 . . . A 103 VAL HB . 19826 1 1253 . 1 1 103 103 VAL HG11 H 1 0.725 0.02 . 2 . . . A 103 VAL MG1 . 19826 1 1254 . 1 1 103 103 VAL HG12 H 1 0.725 0.02 . 2 . . . A 103 VAL MG1 . 19826 1 1255 . 1 1 103 103 VAL HG13 H 1 0.725 0.02 . 2 . . . A 103 VAL MG1 . 19826 1 1256 . 1 1 103 103 VAL HG21 H 1 0.863 0.02 . 2 . . . A 103 VAL MG2 . 19826 1 1257 . 1 1 103 103 VAL HG22 H 1 0.863 0.02 . 2 . . . A 103 VAL MG2 . 19826 1 1258 . 1 1 103 103 VAL HG23 H 1 0.863 0.02 . 2 . . . A 103 VAL MG2 . 19826 1 1259 . 1 1 103 103 VAL CA C 13 60.180 0.4 . 1 . . . A 103 VAL CA . 19826 1 1260 . 1 1 103 103 VAL CB C 13 34.781 0.4 . 1 . . . A 103 VAL CB . 19826 1 1261 . 1 1 103 103 VAL CG1 C 13 19.996 0.4 . 2 . . . A 103 VAL CG1 . 19826 1 1262 . 1 1 103 103 VAL CG2 C 13 21.950 0.4 . 2 . . . A 103 VAL CG2 . 19826 1 1263 . 1 1 103 103 VAL N N 15 123.458 0.4 . 1 . . . A 103 VAL N . 19826 1 1264 . 1 1 105 105 PRO HA H 1 4.388 0.02 . 1 . . . A 105 PRO HA . 19826 1 1265 . 1 1 105 105 PRO HB2 H 1 2.126 0.02 . 2 . . . A 105 PRO HB2 . 19826 1 1266 . 1 1 105 105 PRO HB3 H 1 2.458 0.02 . 2 . . . A 105 PRO HB3 . 19826 1 1267 . 1 1 105 105 PRO HG3 H 1 1.991 0.02 . 2 . . . A 105 PRO HG3 . 19826 1 1268 . 1 1 105 105 PRO HD2 H 1 3.590 0.02 . 2 . . . A 105 PRO HD2 . 19826 1 1269 . 1 1 105 105 PRO HD3 H 1 4.186 0.02 . 2 . . . A 105 PRO HD3 . 19826 1 1270 . 1 1 105 105 PRO CA C 13 63.347 0.4 . 1 . . . A 105 PRO CA . 19826 1 1271 . 1 1 105 105 PRO CB C 13 32.699 0.4 . 1 . . . A 105 PRO CB . 19826 1 1272 . 1 1 105 105 PRO CG C 13 27.180 0.4 . 1 . . . A 105 PRO CG . 19826 1 1273 . 1 1 105 105 PRO CD C 13 51.541 0.4 . 1 . . . A 105 PRO CD . 19826 1 1274 . 1 1 106 106 THR H H 1 6.681 0.02 . 1 . . . A 106 THR H . 19826 1 1275 . 1 1 106 106 THR HA H 1 4.258 0.02 . 1 . . . A 106 THR HA . 19826 1 1276 . 1 1 106 106 THR HB H 1 4.593 0.02 . 1 . . . A 106 THR HB . 19826 1 1277 . 1 1 106 106 THR HG21 H 1 1.207 0.02 . 1 . . . A 106 THR MG . 19826 1 1278 . 1 1 106 106 THR HG22 H 1 1.207 0.02 . 1 . . . A 106 THR MG . 19826 1 1279 . 1 1 106 106 THR HG23 H 1 1.207 0.02 . 1 . . . A 106 THR MG . 19826 1 1280 . 1 1 106 106 THR C C 13 175.040 0.4 . 1 . . . A 106 THR C . 19826 1 1281 . 1 1 106 106 THR CA C 13 60.672 0.4 . 1 . . . A 106 THR CA . 19826 1 1282 . 1 1 106 106 THR CB C 13 68.779 0.4 . 1 . . . A 106 THR CB . 19826 1 1283 . 1 1 106 106 THR CG2 C 13 22.118 0.4 . 1 . . . A 106 THR CG2 . 19826 1 1284 . 1 1 106 106 THR N N 15 100.190 0.4 . 1 . . . A 106 THR N . 19826 1 1285 . 1 1 107 107 ASP H H 1 7.671 0.02 . 1 . . . A 107 ASP H . 19826 1 1286 . 1 1 107 107 ASP HA H 1 4.960 0.02 . 1 . . . A 107 ASP HA . 19826 1 1287 . 1 1 107 107 ASP HB2 H 1 2.820 0.02 . 2 . . . A 107 ASP HB2 . 19826 1 1288 . 1 1 107 107 ASP HB3 H 1 2.912 0.02 . 2 . . . A 107 ASP HB3 . 19826 1 1289 . 1 1 107 107 ASP C C 13 176.660 0.4 . 1 . . . A 107 ASP C . 19826 1 1290 . 1 1 107 107 ASP CA C 13 55.029 0.4 . 1 . . . A 107 ASP CA . 19826 1 1291 . 1 1 107 107 ASP CB C 13 39.480 0.4 . 1 . . . A 107 ASP CB . 19826 1 1292 . 1 1 107 107 ASP N N 15 126.302 0.4 . 1 . . . A 107 ASP N . 19826 1 1293 . 1 1 108 108 VAL H H 1 8.066 0.02 . 1 . . . A 108 VAL H . 19826 1 1294 . 1 1 108 108 VAL HA H 1 3.949 0.02 . 1 . . . A 108 VAL HA . 19826 1 1295 . 1 1 108 108 VAL HB H 1 2.259 0.02 . 1 . . . A 108 VAL HB . 19826 1 1296 . 1 1 108 108 VAL HG11 H 1 0.929 0.02 . 2 . . . A 108 VAL MG1 . 19826 1 1297 . 1 1 108 108 VAL HG12 H 1 0.929 0.02 . 2 . . . A 108 VAL MG1 . 19826 1 1298 . 1 1 108 108 VAL HG13 H 1 0.929 0.02 . 2 . . . A 108 VAL MG1 . 19826 1 1299 . 1 1 108 108 VAL HG21 H 1 0.959 0.02 . 2 . . . A 108 VAL MG2 . 19826 1 1300 . 1 1 108 108 VAL HG22 H 1 0.959 0.02 . 2 . . . A 108 VAL MG2 . 19826 1 1301 . 1 1 108 108 VAL HG23 H 1 0.959 0.02 . 2 . . . A 108 VAL MG2 . 19826 1 1302 . 1 1 108 108 VAL C C 13 177.490 0.4 . 1 . . . A 108 VAL C . 19826 1 1303 . 1 1 108 108 VAL CA C 13 63.284 0.4 . 1 . . . A 108 VAL CA . 19826 1 1304 . 1 1 108 108 VAL CB C 13 31.781 0.4 . 1 . . . A 108 VAL CB . 19826 1 1305 . 1 1 108 108 VAL CG1 C 13 19.129 0.4 . 2 . . . A 108 VAL CG1 . 19826 1 1306 . 1 1 108 108 VAL CG2 C 13 21.670 0.4 . 2 . . . A 108 VAL CG2 . 19826 1 1307 . 1 1 108 108 VAL N N 15 116.378 0.4 . 1 . . . A 108 VAL N . 19826 1 1308 . 1 1 109 109 GLU H H 1 9.121 0.02 . 1 . . . A 109 GLU H . 19826 1 1309 . 1 1 109 109 GLU HA H 1 4.260 0.02 . 1 . . . A 109 GLU HA . 19826 1 1310 . 1 1 109 109 GLU HB2 H 1 2.010 0.02 . 2 . . . A 109 GLU HB2 . 19826 1 1311 . 1 1 109 109 GLU HB3 H 1 2.055 0.02 . 2 . . . A 109 GLU HB3 . 19826 1 1312 . 1 1 109 109 GLU HG2 H 1 2.247 0.02 . 2 . . . A 109 GLU HG2 . 19826 1 1313 . 1 1 109 109 GLU HG3 H 1 2.247 0.02 . 2 . . . A 109 GLU HG3 . 19826 1 1314 . 1 1 109 109 GLU C C 13 176.140 0.4 . 1 . . . A 109 GLU C . 19826 1 1315 . 1 1 109 109 GLU CA C 13 58.060 0.4 . 1 . . . A 109 GLU CA . 19826 1 1316 . 1 1 109 109 GLU CB C 13 28.643 0.4 . 1 . . . A 109 GLU CB . 19826 1 1317 . 1 1 109 109 GLU CG C 13 36.173 0.4 . 1 . . . A 109 GLU CG . 19826 1 1318 . 1 1 110 110 VAL H H 1 7.585 0.02 . 1 . . . A 110 VAL H . 19826 1 1319 . 1 1 110 110 VAL HA H 1 3.893 0.02 . 1 . . . A 110 VAL HA . 19826 1 1320 . 1 1 110 110 VAL HB H 1 2.162 0.02 . 1 . . . A 110 VAL HB . 19826 1 1321 . 1 1 110 110 VAL HG11 H 1 0.953 0.02 . 2 . . . A 110 VAL MG1 . 19826 1 1322 . 1 1 110 110 VAL HG12 H 1 0.953 0.02 . 2 . . . A 110 VAL MG1 . 19826 1 1323 . 1 1 110 110 VAL HG13 H 1 0.953 0.02 . 2 . . . A 110 VAL MG1 . 19826 1 1324 . 1 1 110 110 VAL HG21 H 1 0.977 0.02 . 2 . . . A 110 VAL MG2 . 19826 1 1325 . 1 1 110 110 VAL HG22 H 1 0.977 0.02 . 2 . . . A 110 VAL MG2 . 19826 1 1326 . 1 1 110 110 VAL HG23 H 1 0.977 0.02 . 2 . . . A 110 VAL MG2 . 19826 1 1327 . 1 1 110 110 VAL C C 13 176.870 0.4 . 1 . . . A 110 VAL C . 19826 1 1328 . 1 1 110 110 VAL CA C 13 63.867 0.4 . 1 . . . A 110 VAL CA . 19826 1 1329 . 1 1 110 110 VAL CB C 13 31.664 0.4 . 1 . . . A 110 VAL CB . 19826 1 1330 . 1 1 110 110 VAL CG1 C 13 19.968 0.4 . 2 . . . A 110 VAL CG1 . 19826 1 1331 . 1 1 110 110 VAL CG2 C 13 21.659 0.4 . 2 . . . A 110 VAL CG2 . 19826 1 1332 . 1 1 110 110 VAL N N 15 116.420 0.4 . 1 . . . A 110 VAL N . 19826 1 1333 . 1 1 111 111 LEU HA H 1 4.206 0.02 . 1 . . . A 111 LEU HA . 19826 1 1334 . 1 1 111 111 LEU HB2 H 1 1.582 0.02 . 2 . . . A 111 LEU HB2 . 19826 1 1335 . 1 1 111 111 LEU HB3 H 1 1.764 0.02 . 2 . . . A 111 LEU HB3 . 19826 1 1336 . 1 1 111 111 LEU HG H 1 1.482 0.02 . 1 . . . A 111 LEU HG . 19826 1 1337 . 1 1 111 111 LEU HD11 H 1 0.824 0.02 . 2 . . . A 111 LEU MD1 . 19826 1 1338 . 1 1 111 111 LEU HD12 H 1 0.824 0.02 . 2 . . . A 111 LEU MD1 . 19826 1 1339 . 1 1 111 111 LEU HD13 H 1 0.824 0.02 . 2 . . . A 111 LEU MD1 . 19826 1 1340 . 1 1 111 111 LEU HD21 H 1 0.724 0.02 . 2 . . . A 111 LEU MD2 . 19826 1 1341 . 1 1 111 111 LEU HD22 H 1 0.724 0.02 . 2 . . . A 111 LEU MD2 . 19826 1 1342 . 1 1 111 111 LEU HD23 H 1 0.724 0.02 . 2 . . . A 111 LEU MD2 . 19826 1 1343 . 1 1 111 111 LEU C C 13 178.110 0.4 . 1 . . . A 111 LEU C . 19826 1 1344 . 1 1 111 111 LEU CA C 13 54.651 0.4 . 1 . . . A 111 LEU CA . 19826 1 1345 . 1 1 111 111 LEU CB C 13 41.509 0.4 . 1 . . . A 111 LEU CB . 19826 1 1346 . 1 1 111 111 LEU CG C 13 26.882 0.4 . 1 . . . A 111 LEU CG . 19826 1 1347 . 1 1 111 111 LEU CD1 C 13 25.265 0.4 . 2 . . . A 111 LEU CD1 . 19826 1 1348 . 1 1 111 111 LEU CD2 C 13 22.320 0.4 . 2 . . . A 111 LEU CD2 . 19826 1 1349 . 1 1 111 111 LEU N N 15 119.022 0.4 . 1 . . . A 111 LEU N . 19826 1 1350 . 1 1 112 112 ASP H H 1 7.628 0.02 . 1 . . . A 112 ASP H . 19826 1 1351 . 1 1 112 112 ASP HA H 1 4.562 0.02 . 1 . . . A 112 ASP HA . 19826 1 1352 . 1 1 112 112 ASP HB2 H 1 2.719 0.02 . 2 . . . A 112 ASP HB2 . 19826 1 1353 . 1 1 112 112 ASP HB3 H 1 2.719 0.02 . 2 . . . A 112 ASP HB3 . 19826 1 1354 . 1 1 112 112 ASP C C 13 177.040 0.4 . 1 . . . A 112 ASP C . 19826 1 1355 . 1 1 112 112 ASP CA C 13 55.007 0.4 . 1 . . . A 112 ASP CA . 19826 1 1356 . 1 1 112 112 ASP CB C 13 41.168 0.4 . 1 . . . A 112 ASP CB . 19826 1 1357 . 1 1 112 112 ASP N N 15 120.959 0.4 . 1 . . . A 112 ASP N . 19826 1 1358 . 1 1 113 113 GLU H H 1 8.703 0.02 . 1 . . . A 113 GLU H . 19826 1 1359 . 1 1 113 113 GLU HA H 1 4.638 0.02 . 1 . . . A 113 GLU HA . 19826 1 1360 . 1 1 113 113 GLU HB2 H 1 2.035 0.02 . 2 . . . A 113 GLU HB2 . 19826 1 1361 . 1 1 113 113 GLU HB3 H 1 1.897 0.02 . 2 . . . A 113 GLU HB3 . 19826 1 1362 . 1 1 113 113 GLU HG2 H 1 2.278 0.02 . 2 . . . A 113 GLU HG2 . 19826 1 1363 . 1 1 113 113 GLU HG3 H 1 2.405 0.02 . 2 . . . A 113 GLU HG3 . 19826 1 1364 . 1 1 113 113 GLU C C 13 177.250 0.4 . 1 . . . A 113 GLU C . 19826 1 1365 . 1 1 113 113 GLU CA C 13 55.922 0.4 . 1 . . . A 113 GLU CA . 19826 1 1366 . 1 1 113 113 GLU CB C 13 31.638 0.4 . 1 . . . A 113 GLU CB . 19826 1 1367 . 1 1 113 113 GLU CG C 13 36.418 0.4 . 1 . . . A 113 GLU CG . 19826 1 1368 . 1 1 113 113 GLU N N 15 120.673 0.4 . 1 . . . A 113 GLU N . 19826 1 1369 . 1 1 114 114 GLN H H 1 8.516 0.02 . 1 . . . A 114 GLN H . 19826 1 1370 . 1 1 114 114 GLN HA H 1 4.357 0.02 . 1 . . . A 114 GLN HA . 19826 1 1371 . 1 1 114 114 GLN HB2 H 1 1.740 0.02 . 2 . . . A 114 GLN HB2 . 19826 1 1372 . 1 1 114 114 GLN HB3 H 1 1.874 0.02 . 2 . . . A 114 GLN HB3 . 19826 1 1373 . 1 1 114 114 GLN HG2 H 1 2.230 0.02 . 2 . . . A 114 GLN HG2 . 19826 1 1374 . 1 1 114 114 GLN HG3 H 1 2.275 0.02 . 2 . . . A 114 GLN HG3 . 19826 1 1375 . 1 1 114 114 GLN HE21 H 1 7.369 0.02 . 2 . . . A 114 GLN HE21 . 19826 1 1376 . 1 1 114 114 GLN HE22 H 1 6.786 0.02 . 2 . . . A 114 GLN HE22 . 19826 1 1377 . 1 1 114 114 GLN C C 13 175.220 0.4 . 1 . . . A 114 GLN C . 19826 1 1378 . 1 1 114 114 GLN CA C 13 53.657 0.4 . 1 . . . A 114 GLN CA . 19826 1 1379 . 1 1 114 114 GLN CB C 13 28.340 0.4 . 1 . . . A 114 GLN CB . 19826 1 1380 . 1 1 114 114 GLN CG C 13 33.197 0.4 . 1 . . . A 114 GLN CG . 19826 1 1381 . 1 1 114 114 GLN N N 15 124.108 0.4 . 1 . . . A 114 GLN N . 19826 1 1382 . 1 1 114 114 GLN NE2 N 15 113.469 0.4 . 1 . . . A 114 GLN NE2 . 19826 1 1383 . 1 1 115 115 LYS H H 1 8.228 0.02 . 1 . . . A 115 LYS H . 19826 1 1384 . 1 1 115 115 LYS HA H 1 4.021 0.02 . 1 . . . A 115 LYS HA . 19826 1 1385 . 1 1 115 115 LYS HB2 H 1 1.750 0.02 . 2 . . . A 115 LYS HB2 . 19826 1 1386 . 1 1 115 115 LYS HB3 H 1 1.750 0.02 . 2 . . . A 115 LYS HB3 . 19826 1 1387 . 1 1 115 115 LYS HG2 H 1 1.461 0.02 . 2 . . . A 115 LYS HG2 . 19826 1 1388 . 1 1 115 115 LYS HG3 H 1 1.381 0.02 . 2 . . . A 115 LYS HG3 . 19826 1 1389 . 1 1 115 115 LYS HD2 H 1 1.655 0.02 . 2 . . . A 115 LYS HD2 . 19826 1 1390 . 1 1 115 115 LYS HD3 H 1 1.655 0.02 . 2 . . . A 115 LYS HD3 . 19826 1 1391 . 1 1 115 115 LYS HE2 H 1 2.990 0.02 . 2 . . . A 115 LYS HE2 . 19826 1 1392 . 1 1 115 115 LYS CA C 13 57.685 0.4 . 1 . . . A 115 LYS CA . 19826 1 1393 . 1 1 115 115 LYS CB C 13 32.359 0.4 . 1 . . . A 115 LYS CB . 19826 1 1394 . 1 1 115 115 LYS CG C 13 24.945 0.4 . 1 . . . A 115 LYS CG . 19826 1 1395 . 1 1 115 115 LYS CD C 13 29.077 0.4 . 1 . . . A 115 LYS CD . 19826 1 1396 . 1 1 115 115 LYS CE C 13 42.167 0.4 . 1 . . . A 115 LYS CE . 19826 1 1397 . 1 1 115 115 LYS N N 15 122.057 0.4 . 1 . . . A 115 LYS N . 19826 1 1398 . 1 1 116 116 GLY H H 1 8.739 0.02 . 1 . . . A 116 GLY H . 19826 1 1399 . 1 1 116 116 GLY HA2 H 1 4.100 0.02 . 2 . . . A 116 GLY HA2 . 19826 1 1400 . 1 1 116 116 GLY HA3 H 1 3.786 0.02 . 2 . . . A 116 GLY HA3 . 19826 1 1401 . 1 1 116 116 GLY C C 13 174.220 0.4 . 1 . . . A 116 GLY C . 19826 1 1402 . 1 1 116 116 GLY CA C 13 45.392 0.4 . 1 . . . A 116 GLY CA . 19826 1 1403 . 1 1 116 116 GLY N N 15 111.583 0.4 . 1 . . . A 116 GLY N . 19826 1 1404 . 1 1 117 117 LYS H H 1 7.562 0.02 . 1 . . . A 117 LYS H . 19826 1 1405 . 1 1 117 117 LYS HA H 1 4.483 0.02 . 1 . . . A 117 LYS HA . 19826 1 1406 . 1 1 117 117 LYS HB2 H 1 1.926 0.02 . 2 . . . A 117 LYS HB2 . 19826 1 1407 . 1 1 117 117 LYS HB3 H 1 1.808 0.02 . 2 . . . A 117 LYS HB3 . 19826 1 1408 . 1 1 117 117 LYS HG2 H 1 1.271 0.02 . 2 . . . A 117 LYS HG2 . 19826 1 1409 . 1 1 117 117 LYS HG3 H 1 1.391 0.02 . 2 . . . A 117 LYS HG3 . 19826 1 1410 . 1 1 117 117 LYS HD2 H 1 1.602 0.02 . 2 . . . A 117 LYS HD2 . 19826 1 1411 . 1 1 117 117 LYS HD3 H 1 1.602 0.02 . 2 . . . A 117 LYS HD3 . 19826 1 1412 . 1 1 117 117 LYS HE2 H 1 2.968 0.02 . 2 . . . A 117 LYS HE2 . 19826 1 1413 . 1 1 117 117 LYS C C 13 176.280 0.4 . 1 . . . A 117 LYS C . 19826 1 1414 . 1 1 117 117 LYS CA C 13 55.070 0.4 . 1 . . . A 117 LYS CA . 19826 1 1415 . 1 1 117 117 LYS CB C 13 33.843 0.4 . 1 . . . A 117 LYS CB . 19826 1 1416 . 1 1 117 117 LYS CG C 13 25.146 0.4 . 1 . . . A 117 LYS CG . 19826 1 1417 . 1 1 117 117 LYS CD C 13 28.613 0.4 . 1 . . . A 117 LYS CD . 19826 1 1418 . 1 1 117 117 LYS CE C 13 42.224 0.4 . 1 . . . A 117 LYS CE . 19826 1 1419 . 1 1 117 117 LYS N N 15 119.104 0.4 . 1 . . . A 117 LYS N . 19826 1 1420 . 1 1 118 118 ASP H H 1 8.163 0.02 . 1 . . . A 118 ASP H . 19826 1 1421 . 1 1 118 118 ASP HA H 1 4.581 0.02 . 1 . . . A 118 ASP HA . 19826 1 1422 . 1 1 118 118 ASP HB2 H 1 2.490 0.02 . 2 . . . A 118 ASP HB2 . 19826 1 1423 . 1 1 118 118 ASP HB3 H 1 2.935 0.02 . 2 . . . A 118 ASP HB3 . 19826 1 1424 . 1 1 118 118 ASP C C 13 176.570 0.4 . 1 . . . A 118 ASP C . 19826 1 1425 . 1 1 118 118 ASP CA C 13 54.828 0.4 . 1 . . . A 118 ASP CA . 19826 1 1426 . 1 1 118 118 ASP CB C 13 41.630 0.4 . 1 . . . A 118 ASP CB . 19826 1 1427 . 1 1 118 118 ASP N N 15 119.595 0.4 . 1 . . . A 118 ASP N . 19826 1 1428 . 1 1 119 119 LYS H H 1 8.935 0.02 . 1 . . . A 119 LYS H . 19826 1 1429 . 1 1 119 119 LYS HA H 1 4.652 0.02 . 1 . . . A 119 LYS HA . 19826 1 1430 . 1 1 119 119 LYS HB2 H 1 1.875 0.02 . 2 . . . A 119 LYS HB2 . 19826 1 1431 . 1 1 119 119 LYS HB3 H 1 2.416 0.02 . 2 . . . A 119 LYS HB3 . 19826 1 1432 . 1 1 119 119 LYS HG2 H 1 1.546 0.02 . 2 . . . A 119 LYS HG2 . 19826 1 1433 . 1 1 119 119 LYS HG3 H 1 1.803 0.02 . 2 . . . A 119 LYS HG3 . 19826 1 1434 . 1 1 119 119 LYS HD2 H 1 1.803 0.02 . 2 . . . A 119 LYS HD2 . 19826 1 1435 . 1 1 119 119 LYS HD3 H 1 1.803 0.02 . 2 . . . A 119 LYS HD3 . 19826 1 1436 . 1 1 119 119 LYS HE2 H 1 2.919 0.02 . 2 . . . A 119 LYS HE2 . 19826 1 1437 . 1 1 119 119 LYS C C 13 175.840 0.4 . 1 . . . A 119 LYS C . 19826 1 1438 . 1 1 119 119 LYS CA C 13 58.059 0.4 . 1 . . . A 119 LYS CA . 19826 1 1439 . 1 1 119 119 LYS CB C 13 32.959 0.4 . 1 . . . A 119 LYS CB . 19826 1 1440 . 1 1 119 119 LYS CG C 13 26.739 0.4 . 1 . . . A 119 LYS CG . 19826 1 1441 . 1 1 119 119 LYS CD C 13 29.506 0.4 . 1 . . . A 119 LYS CD . 19826 1 1442 . 1 1 119 119 LYS CE C 13 42.488 0.4 . 1 . . . A 119 LYS CE . 19826 1 1443 . 1 1 119 119 LYS N N 15 121.920 0.4 . 1 . . . A 119 LYS N . 19826 1 1444 . 1 1 120 120 GLN H H 1 9.537 0.02 . 1 . . . A 120 GLN H . 19826 1 1445 . 1 1 120 120 GLN HA H 1 5.746 0.02 . 1 . . . A 120 GLN HA . 19826 1 1446 . 1 1 120 120 GLN HB2 H 1 1.940 0.02 . 2 . . . A 120 GLN HB2 . 19826 1 1447 . 1 1 120 120 GLN HB3 H 1 1.940 0.02 . 2 . . . A 120 GLN HB3 . 19826 1 1448 . 1 1 120 120 GLN HG2 H 1 2.092 0.02 . 2 . . . A 120 GLN HG2 . 19826 1 1449 . 1 1 120 120 GLN HG3 H 1 2.443 0.02 . 2 . . . A 120 GLN HG3 . 19826 1 1450 . 1 1 120 120 GLN HE21 H 1 6.274 0.02 . 2 . . . A 120 GLN HE21 . 19826 1 1451 . 1 1 120 120 GLN HE22 H 1 6.519 0.02 . 2 . . . A 120 GLN HE22 . 19826 1 1452 . 1 1 120 120 GLN C C 13 174.440 0.4 . 1 . . . A 120 GLN C . 19826 1 1453 . 1 1 120 120 GLN CA C 13 53.930 0.4 . 1 . . . A 120 GLN CA . 19826 1 1454 . 1 1 120 120 GLN CB C 13 34.366 0.4 . 1 . . . A 120 GLN CB . 19826 1 1455 . 1 1 120 120 GLN CG C 13 32.957 0.4 . 1 . . . A 120 GLN CG . 19826 1 1456 . 1 1 120 120 GLN N N 15 116.152 0.4 . 1 . . . A 120 GLN N . 19826 1 1457 . 1 1 120 120 GLN NE2 N 15 112.610 0.4 . 1 . . . A 120 GLN NE2 . 19826 1 1458 . 1 1 121 121 LEU H H 1 8.921 0.02 . 1 . . . A 121 LEU H . 19826 1 1459 . 1 1 121 121 LEU HA H 1 5.266 0.02 . 1 . . . A 121 LEU HA . 19826 1 1460 . 1 1 121 121 LEU HB2 H 1 0.824 0.02 . 2 . . . A 121 LEU HB2 . 19826 1 1461 . 1 1 121 121 LEU HB3 H 1 0.824 0.02 . 2 . . . A 121 LEU HB3 . 19826 1 1462 . 1 1 121 121 LEU HG H 1 0.171 0.02 . 1 . . . A 121 LEU HG . 19826 1 1463 . 1 1 121 121 LEU HD11 H 1 0.267 0.02 . 2 . . . A 121 LEU MD1 . 19826 1 1464 . 1 1 121 121 LEU HD12 H 1 0.267 0.02 . 2 . . . A 121 LEU MD1 . 19826 1 1465 . 1 1 121 121 LEU HD13 H 1 0.267 0.02 . 2 . . . A 121 LEU MD1 . 19826 1 1466 . 1 1 121 121 LEU HD21 H 1 0.014 0.02 . 2 . . . A 121 LEU MD2 . 19826 1 1467 . 1 1 121 121 LEU HD22 H 1 0.014 0.02 . 2 . . . A 121 LEU MD2 . 19826 1 1468 . 1 1 121 121 LEU HD23 H 1 0.014 0.02 . 2 . . . A 121 LEU MD2 . 19826 1 1469 . 1 1 121 121 LEU C C 13 176.490 0.4 . 1 . . . A 121 LEU C . 19826 1 1470 . 1 1 121 121 LEU CA C 13 52.743 0.4 . 1 . . . A 121 LEU CA . 19826 1 1471 . 1 1 121 121 LEU CB C 13 45.256 0.4 . 1 . . . A 121 LEU CB . 19826 1 1472 . 1 1 121 121 LEU CG C 13 25.722 0.4 . 1 . . . A 121 LEU CG . 19826 1 1473 . 1 1 121 121 LEU CD1 C 13 23.992 0.4 . 2 . . . A 121 LEU CD1 . 19826 1 1474 . 1 1 121 121 LEU CD2 C 13 26.448 0.4 . 2 . . . A 121 LEU CD2 . 19826 1 1475 . 1 1 121 121 LEU N N 15 121.469 0.4 . 1 . . . A 121 LEU N . 19826 1 1476 . 1 1 122 122 THR H H 1 8.981 0.02 . 1 . . . A 122 THR H . 19826 1 1477 . 1 1 122 122 THR HA H 1 4.549 0.02 . 1 . . . A 122 THR HA . 19826 1 1478 . 1 1 122 122 THR HB H 1 4.146 0.02 . 1 . . . A 122 THR HB . 19826 1 1479 . 1 1 122 122 THR HG21 H 1 0.941 0.02 . 1 . . . A 122 THR MG . 19826 1 1480 . 1 1 122 122 THR HG22 H 1 0.941 0.02 . 1 . . . A 122 THR MG . 19826 1 1481 . 1 1 122 122 THR HG23 H 1 0.941 0.02 . 1 . . . A 122 THR MG . 19826 1 1482 . 1 1 122 122 THR C C 13 173.350 0.4 . 1 . . . A 122 THR C . 19826 1 1483 . 1 1 122 122 THR CA C 13 62.453 0.4 . 1 . . . A 122 THR CA . 19826 1 1484 . 1 1 122 122 THR CB C 13 69.386 0.4 . 1 . . . A 122 THR CB . 19826 1 1485 . 1 1 122 122 THR CG2 C 13 21.696 0.4 . 1 . . . A 122 THR CG2 . 19826 1 1486 . 1 1 122 122 THR N N 15 120.027 0.4 . 1 . . . A 122 THR N . 19826 1 1487 . 1 1 123 123 LEU H H 1 9.465 0.02 . 1 . . . A 123 LEU H . 19826 1 1488 . 1 1 123 123 LEU HA H 1 5.304 0.02 . 1 . . . A 123 LEU HA . 19826 1 1489 . 1 1 123 123 LEU HB2 H 1 1.842 0.02 . 2 . . . A 123 LEU HB2 . 19826 1 1490 . 1 1 123 123 LEU HB3 H 1 0.725 0.02 . 2 . . . A 123 LEU HB3 . 19826 1 1491 . 1 1 123 123 LEU HG H 1 1.451 0.02 . 1 . . . A 123 LEU HG . 19826 1 1492 . 1 1 123 123 LEU HD11 H 1 0.460 0.02 . 2 . . . A 123 LEU MD1 . 19826 1 1493 . 1 1 123 123 LEU HD12 H 1 0.460 0.02 . 2 . . . A 123 LEU MD1 . 19826 1 1494 . 1 1 123 123 LEU HD13 H 1 0.460 0.02 . 2 . . . A 123 LEU MD1 . 19826 1 1495 . 1 1 123 123 LEU HD21 H 1 0.321 0.02 . 2 . . . A 123 LEU MD2 . 19826 1 1496 . 1 1 123 123 LEU HD22 H 1 0.321 0.02 . 2 . . . A 123 LEU MD2 . 19826 1 1497 . 1 1 123 123 LEU HD23 H 1 0.321 0.02 . 2 . . . A 123 LEU MD2 . 19826 1 1498 . 1 1 123 123 LEU C C 13 175.880 0.4 . 1 . . . A 123 LEU C . 19826 1 1499 . 1 1 123 123 LEU CA C 13 52.777 0.4 . 1 . . . A 123 LEU CA . 19826 1 1500 . 1 1 123 123 LEU CB C 13 41.165 0.4 . 1 . . . A 123 LEU CB . 19826 1 1501 . 1 1 123 123 LEU CG C 13 27.189 0.4 . 1 . . . A 123 LEU CG . 19826 1 1502 . 1 1 123 123 LEU CD1 C 13 24.659 0.4 . 2 . . . A 123 LEU CD1 . 19826 1 1503 . 1 1 123 123 LEU CD2 C 13 25.776 0.4 . 2 . . . A 123 LEU CD2 . 19826 1 1504 . 1 1 123 123 LEU N N 15 127.519 0.4 . 1 . . . A 123 LEU N . 19826 1 1505 . 1 1 124 124 ILE H H 1 9.267 0.02 . 1 . . . A 124 ILE H . 19826 1 1506 . 1 1 124 124 ILE HA H 1 4.986 0.02 . 1 . . . A 124 ILE HA . 19826 1 1507 . 1 1 124 124 ILE HB H 1 1.485 0.02 . 1 . . . A 124 ILE HB . 19826 1 1508 . 1 1 124 124 ILE HG12 H 1 0.968 0.02 . 2 . . . A 124 ILE HG12 . 19826 1 1509 . 1 1 124 124 ILE HG13 H 1 0.820 0.02 . 2 . . . A 124 ILE HG13 . 19826 1 1510 . 1 1 124 124 ILE HG21 H 1 0.820 0.02 . 1 . . . A 124 ILE MG . 19826 1 1511 . 1 1 124 124 ILE HG22 H 1 0.820 0.02 . 1 . . . A 124 ILE MG . 19826 1 1512 . 1 1 124 124 ILE HG23 H 1 0.820 0.02 . 1 . . . A 124 ILE MG . 19826 1 1513 . 1 1 124 124 ILE HD11 H 1 0.656 0.02 . 1 . . . A 124 ILE MD . 19826 1 1514 . 1 1 124 124 ILE HD12 H 1 0.656 0.02 . 1 . . . A 124 ILE MD . 19826 1 1515 . 1 1 124 124 ILE HD13 H 1 0.656 0.02 . 1 . . . A 124 ILE MD . 19826 1 1516 . 1 1 124 124 ILE C C 13 177.140 0.4 . 1 . . . A 124 ILE C . 19826 1 1517 . 1 1 124 124 ILE CA C 13 60.141 0.4 . 1 . . . A 124 ILE CA . 19826 1 1518 . 1 1 124 124 ILE CB C 13 42.304 0.4 . 1 . . . A 124 ILE CB . 19826 1 1519 . 1 1 124 124 ILE CG1 C 13 27.805 0.4 . 1 . . . A 124 ILE CG1 . 19826 1 1520 . 1 1 124 124 ILE CG2 C 13 17.588 0.4 . 1 . . . A 124 ILE CG2 . 19826 1 1521 . 1 1 124 124 ILE CD1 C 13 15.427 0.4 . 1 . . . A 124 ILE CD1 . 19826 1 1522 . 1 1 124 124 ILE N N 15 123.708 0.4 . 1 . . . A 124 ILE N . 19826 1 1523 . 1 1 125 125 THR H H 1 8.831 0.02 . 1 . . . A 125 THR H . 19826 1 1524 . 1 1 125 125 THR HA H 1 5.172 0.02 . 1 . . . A 125 THR HA . 19826 1 1525 . 1 1 125 125 THR HB H 1 4.256 0.02 . 1 . . . A 125 THR HB . 19826 1 1526 . 1 1 125 125 THR HG21 H 1 1.183 0.02 . 1 . . . A 125 THR MG . 19826 1 1527 . 1 1 125 125 THR HG22 H 1 1.183 0.02 . 1 . . . A 125 THR MG . 19826 1 1528 . 1 1 125 125 THR HG23 H 1 1.183 0.02 . 1 . . . A 125 THR MG . 19826 1 1529 . 1 1 125 125 THR C C 13 174.550 0.4 . 1 . . . A 125 THR C . 19826 1 1530 . 1 1 125 125 THR CA C 13 59.877 0.4 . 1 . . . A 125 THR CA . 19826 1 1531 . 1 1 125 125 THR CB C 13 70.597 0.4 . 1 . . . A 125 THR CB . 19826 1 1532 . 1 1 125 125 THR CG2 C 13 20.624 0.4 . 1 . . . A 125 THR CG2 . 19826 1 1533 . 1 1 125 125 THR N N 15 116.782 0.4 . 1 . . . A 125 THR N . 19826 1 1534 . 1 1 126 126 CYS H H 1 8.194 0.02 . 1 . . . A 126 CYS H . 19826 1 1535 . 1 1 126 126 CYS HA H 1 4.542 0.02 . 1 . . . A 126 CYS HA . 19826 1 1536 . 1 1 126 126 CYS HB2 H 1 2.626 0.02 . 2 . . . A 126 CYS HB2 . 19826 1 1537 . 1 1 126 126 CYS HB3 H 1 2.460 0.02 . 2 . . . A 126 CYS HB3 . 19826 1 1538 . 1 1 126 126 CYS C C 13 172.560 0.4 . 1 . . . A 126 CYS C . 19826 1 1539 . 1 1 126 126 CYS CA C 13 55.046 0.4 . 1 . . . A 126 CYS CA . 19826 1 1540 . 1 1 126 126 CYS CB C 13 41.712 0.4 . 1 . . . A 126 CYS CB . 19826 1 1541 . 1 1 126 126 CYS N N 15 120.923 0.4 . 1 . . . A 126 CYS N . 19826 1 1542 . 1 1 127 127 ASP H H 1 8.829 0.02 . 1 . . . A 127 ASP H . 19826 1 1543 . 1 1 127 127 ASP HA H 1 5.332 0.02 . 1 . . . A 127 ASP HA . 19826 1 1544 . 1 1 127 127 ASP HB2 H 1 2.610 0.02 . 2 . . . A 127 ASP HB2 . 19826 1 1545 . 1 1 127 127 ASP HB3 H 1 2.610 0.02 . 2 . . . A 127 ASP HB3 . 19826 1 1546 . 1 1 127 127 ASP C C 13 174.530 0.4 . 1 . . . A 127 ASP C . 19826 1 1547 . 1 1 127 127 ASP CA C 13 52.913 0.4 . 1 . . . A 127 ASP CA . 19826 1 1548 . 1 1 127 127 ASP CB C 13 45.333 0.4 . 1 . . . A 127 ASP CB . 19826 1 1549 . 1 1 127 127 ASP N N 15 120.945 0.4 . 1 . . . A 127 ASP N . 19826 1 1550 . 1 1 128 128 ASP H H 1 9.271 0.02 . 1 . . . A 128 ASP H . 19826 1 1551 . 1 1 128 128 ASP HA H 1 4.360 0.02 . 1 . . . A 128 ASP HA . 19826 1 1552 . 1 1 128 128 ASP HB2 H 1 2.973 0.02 . 2 . . . A 128 ASP HB2 . 19826 1 1553 . 1 1 128 128 ASP HB3 H 1 2.677 0.02 . 2 . . . A 128 ASP HB3 . 19826 1 1554 . 1 1 128 128 ASP C C 13 174.820 0.4 . 1 . . . A 128 ASP C . 19826 1 1555 . 1 1 128 128 ASP CA C 13 54.949 0.4 . 1 . . . A 128 ASP CA . 19826 1 1556 . 1 1 128 128 ASP CB C 13 39.459 0.4 . 1 . . . A 128 ASP CB . 19826 1 1557 . 1 1 128 128 ASP N N 15 120.123 0.4 . 1 . . . A 128 ASP N . 19826 1 1558 . 1 1 129 129 TYR H H 1 8.498 0.02 . 1 . . . A 129 TYR H . 19826 1 1559 . 1 1 129 129 TYR HA H 1 3.753 0.02 . 1 . . . A 129 TYR HA . 19826 1 1560 . 1 1 129 129 TYR HD1 H 1 5.520 0.02 . 3 . . . A 129 TYR HD1 . 19826 1 1561 . 1 1 129 129 TYR HD2 H 1 5.520 0.02 . 3 . . . A 129 TYR HD2 . 19826 1 1562 . 1 1 129 129 TYR HE1 H 1 6.214 0.02 . 3 . . . A 129 TYR HE1 . 19826 1 1563 . 1 1 129 129 TYR HE2 H 1 6.214 0.02 . 3 . . . A 129 TYR HE2 . 19826 1 1564 . 1 1 129 129 TYR C C 13 175.320 0.4 . 1 . . . A 129 TYR C . 19826 1 1565 . 1 1 129 129 TYR CA C 13 59.258 0.4 . 1 . . . A 129 TYR CA . 19826 1 1566 . 1 1 129 129 TYR CB C 13 36.106 0.4 . 1 . . . A 129 TYR CB . 19826 1 1567 . 1 1 129 129 TYR CD1 C 13 132.649 0.4 . 3 . . . A 129 TYR CD1 . 19826 1 1568 . 1 1 129 129 TYR CD2 C 13 132.649 0.4 . 3 . . . A 129 TYR CD2 . 19826 1 1569 . 1 1 129 129 TYR CE1 C 13 117.405 0.4 . 3 . . . A 129 TYR CE1 . 19826 1 1570 . 1 1 129 129 TYR CE2 C 13 117.405 0.4 . 3 . . . A 129 TYR CE2 . 19826 1 1571 . 1 1 129 129 TYR N N 15 123.570 0.4 . 1 . . . A 129 TYR N . 19826 1 1572 . 1 1 130 130 ASN H H 1 8.019 0.02 . 1 . . . A 130 ASN H . 19826 1 1573 . 1 1 130 130 ASN HA H 1 4.491 0.02 . 1 . . . A 130 ASN HA . 19826 1 1574 . 1 1 130 130 ASN HB2 H 1 2.412 0.02 . 2 . . . A 130 ASN HB2 . 19826 1 1575 . 1 1 130 130 ASN HB3 H 1 3.118 0.02 . 2 . . . A 130 ASN HB3 . 19826 1 1576 . 1 1 130 130 ASN HD21 H 1 7.748 0.02 . 2 . . . A 130 ASN HD21 . 19826 1 1577 . 1 1 130 130 ASN HD22 H 1 6.828 0.02 . 2 . . . A 130 ASN HD22 . 19826 1 1578 . 1 1 130 130 ASN C C 13 174.820 0.4 . 1 . . . A 130 ASN C . 19826 1 1579 . 1 1 130 130 ASN CA C 13 51.459 0.4 . 1 . . . A 130 ASN CA . 19826 1 1580 . 1 1 130 130 ASN CB C 13 38.788 0.4 . 1 . . . A 130 ASN CB . 19826 1 1581 . 1 1 130 130 ASN N N 15 128.701 0.4 . 1 . . . A 130 ASN N . 19826 1 1582 . 1 1 130 130 ASN ND2 N 15 113.224 0.4 . 1 . . . A 130 ASN ND2 . 19826 1 1583 . 1 1 131 131 GLU H H 1 8.694 0.02 . 1 . . . A 131 GLU H . 19826 1 1584 . 1 1 131 131 GLU HA H 1 3.685 0.02 . 1 . . . A 131 GLU HA . 19826 1 1585 . 1 1 131 131 GLU HB2 H 1 2.016 0.02 . 2 . . . A 131 GLU HB2 . 19826 1 1586 . 1 1 131 131 GLU HB3 H 1 2.016 0.02 . 2 . . . A 131 GLU HB3 . 19826 1 1587 . 1 1 131 131 GLU HG2 H 1 2.294 0.02 . 2 . . . A 131 GLU HG2 . 19826 1 1588 . 1 1 131 131 GLU HG3 H 1 2.294 0.02 . 2 . . . A 131 GLU HG3 . 19826 1 1589 . 1 1 131 131 GLU C C 13 177.710 0.4 . 1 . . . A 131 GLU C . 19826 1 1590 . 1 1 131 131 GLU CA C 13 58.127 0.4 . 1 . . . A 131 GLU CA . 19826 1 1591 . 1 1 131 131 GLU CB C 13 29.414 0.4 . 1 . . . A 131 GLU CB . 19826 1 1592 . 1 1 131 131 GLU CG C 13 36.097 0.4 . 1 . . . A 131 GLU CG . 19826 1 1593 . 1 1 131 131 GLU N N 15 123.511 0.4 . 1 . . . A 131 GLU N . 19826 1 1594 . 1 1 132 132 LYS H H 1 8.108 0.02 . 1 . . . A 132 LYS H . 19826 1 1595 . 1 1 132 132 LYS HA H 1 4.129 0.02 . 1 . . . A 132 LYS HA . 19826 1 1596 . 1 1 132 132 LYS HB2 H 1 1.847 0.02 . 2 . . . A 132 LYS HB2 . 19826 1 1597 . 1 1 132 132 LYS HB3 H 1 1.928 0.02 . 2 . . . A 132 LYS HB3 . 19826 1 1598 . 1 1 132 132 LYS HG2 H 1 1.480 0.02 . 2 . . . A 132 LYS HG2 . 19826 1 1599 . 1 1 132 132 LYS HG3 H 1 1.480 0.02 . 2 . . . A 132 LYS HG3 . 19826 1 1600 . 1 1 132 132 LYS HD2 H 1 1.654 0.02 . 2 . . . A 132 LYS HD2 . 19826 1 1601 . 1 1 132 132 LYS HD3 H 1 1.654 0.02 . 2 . . . A 132 LYS HD3 . 19826 1 1602 . 1 1 132 132 LYS HE2 H 1 2.981 0.02 . 2 . . . A 132 LYS HE2 . 19826 1 1603 . 1 1 132 132 LYS HE3 H 1 2.981 0.02 . 2 . . . A 132 LYS HE3 . 19826 1 1604 . 1 1 132 132 LYS C C 13 178.440 0.4 . 1 . . . A 132 LYS C . 19826 1 1605 . 1 1 132 132 LYS CA C 13 58.172 0.4 . 1 . . . A 132 LYS CA . 19826 1 1606 . 1 1 132 132 LYS CB C 13 32.291 0.4 . 1 . . . A 132 LYS CB . 19826 1 1607 . 1 1 132 132 LYS CG C 13 25.178 0.4 . 1 . . . A 132 LYS CG . 19826 1 1608 . 1 1 132 132 LYS CD C 13 28.897 0.4 . 1 . . . A 132 LYS CD . 19826 1 1609 . 1 1 132 132 LYS CE C 13 42.306 0.4 . 1 . . . A 132 LYS CE . 19826 1 1610 . 1 1 132 132 LYS N N 15 118.025 0.4 . 1 . . . A 132 LYS N . 19826 1 1611 . 1 1 133 133 THR H H 1 7.139 0.02 . 1 . . . A 133 THR H . 19826 1 1612 . 1 1 133 133 THR HA H 1 4.261 0.02 . 1 . . . A 133 THR HA . 19826 1 1613 . 1 1 133 133 THR HB H 1 4.186 0.02 . 1 . . . A 133 THR HB . 19826 1 1614 . 1 1 133 133 THR HG21 H 1 1.037 0.02 . 1 . . . A 133 THR MG . 19826 1 1615 . 1 1 133 133 THR HG22 H 1 1.037 0.02 . 1 . . . A 133 THR MG . 19826 1 1616 . 1 1 133 133 THR HG23 H 1 1.037 0.02 . 1 . . . A 133 THR MG . 19826 1 1617 . 1 1 133 133 THR C C 13 176.430 0.4 . 1 . . . A 133 THR C . 19826 1 1618 . 1 1 133 133 THR CA C 13 61.154 0.4 . 1 . . . A 133 THR CA . 19826 1 1619 . 1 1 133 133 THR CB C 13 69.668 0.4 . 1 . . . A 133 THR CB . 19826 1 1620 . 1 1 133 133 THR CG2 C 13 21.822 0.4 . 1 . . . A 133 THR CG2 . 19826 1 1621 . 1 1 133 133 THR N N 15 106.535 0.4 . 1 . . . A 133 THR N . 19826 1 1622 . 1 1 134 134 GLY H H 1 8.343 0.02 . 1 . . . A 134 GLY H . 19826 1 1623 . 1 1 134 134 GLY HA2 H 1 3.570 0.02 . 2 . . . A 134 GLY HA2 . 19826 1 1624 . 1 1 134 134 GLY HA3 H 1 3.899 0.02 . 2 . . . A 134 GLY HA3 . 19826 1 1625 . 1 1 134 134 GLY C C 13 173.740 0.4 . 1 . . . A 134 GLY C . 19826 1 1626 . 1 1 134 134 GLY CA C 13 45.836 0.4 . 1 . . . A 134 GLY CA . 19826 1 1627 . 1 1 134 134 GLY N N 15 111.728 0.4 . 1 . . . A 134 GLY N . 19826 1 1628 . 1 1 135 135 VAL H H 1 6.845 0.02 . 1 . . . A 135 VAL H . 19826 1 1629 . 1 1 135 135 VAL HA H 1 4.249 0.02 . 1 . . . A 135 VAL HA . 19826 1 1630 . 1 1 135 135 VAL HB H 1 1.929 0.02 . 1 . . . A 135 VAL HB . 19826 1 1631 . 1 1 135 135 VAL HG11 H 1 0.816 0.02 . 2 . . . A 135 VAL MG1 . 19826 1 1632 . 1 1 135 135 VAL HG12 H 1 0.816 0.02 . 2 . . . A 135 VAL MG1 . 19826 1 1633 . 1 1 135 135 VAL HG13 H 1 0.816 0.02 . 2 . . . A 135 VAL MG1 . 19826 1 1634 . 1 1 135 135 VAL HG21 H 1 0.754 0.02 . 2 . . . A 135 VAL MG2 . 19826 1 1635 . 1 1 135 135 VAL HG22 H 1 0.754 0.02 . 2 . . . A 135 VAL MG2 . 19826 1 1636 . 1 1 135 135 VAL HG23 H 1 0.754 0.02 . 2 . . . A 135 VAL MG2 . 19826 1 1637 . 1 1 135 135 VAL C C 13 174.850 0.4 . 1 . . . A 135 VAL C . 19826 1 1638 . 1 1 135 135 VAL CA C 13 60.267 0.4 . 1 . . . A 135 VAL CA . 19826 1 1639 . 1 1 135 135 VAL CB C 13 35.118 0.4 . 1 . . . A 135 VAL CB . 19826 1 1640 . 1 1 135 135 VAL CG1 C 13 21.266 0.4 . 2 . . . A 135 VAL CG1 . 19826 1 1641 . 1 1 135 135 VAL CG2 C 13 20.513 0.4 . 2 . . . A 135 VAL CG2 . 19826 1 1642 . 1 1 135 135 VAL N N 15 116.553 0.4 . 1 . . . A 135 VAL N . 19826 1 1643 . 1 1 136 136 TRP H H 1 8.546 0.02 . 1 . . . A 136 TRP H . 19826 1 1644 . 1 1 136 136 TRP HA H 1 4.437 0.02 . 1 . . . A 136 TRP HA . 19826 1 1645 . 1 1 136 136 TRP HB2 H 1 3.204 0.02 . 2 . . . A 136 TRP HB2 . 19826 1 1646 . 1 1 136 136 TRP HB3 H 1 3.204 0.02 . 2 . . . A 136 TRP HB3 . 19826 1 1647 . 1 1 136 136 TRP HD1 H 1 7.013 0.02 . 1 . . . A 136 TRP HD1 . 19826 1 1648 . 1 1 136 136 TRP HE1 H 1 10.006 0.02 . 1 . . . A 136 TRP HE1 . 19826 1 1649 . 1 1 136 136 TRP HE3 H 1 7.315 0.02 . 1 . . . A 136 TRP HE3 . 19826 1 1650 . 1 1 136 136 TRP HZ2 H 1 6.981 0.02 . 1 . . . A 136 TRP HZ2 . 19826 1 1651 . 1 1 136 136 TRP HZ3 H 1 7.164 0.02 . 1 . . . A 136 TRP HZ3 . 19826 1 1652 . 1 1 136 136 TRP HH2 H 1 7.015 0.02 . 1 . . . A 136 TRP HH2 . 19826 1 1653 . 1 1 136 136 TRP C C 13 175.910 0.4 . 1 . . . A 136 TRP C . 19826 1 1654 . 1 1 136 136 TRP CA C 13 57.060 0.4 . 1 . . . A 136 TRP CA . 19826 1 1655 . 1 1 136 136 TRP CB C 13 29.174 0.4 . 1 . . . A 136 TRP CB . 19826 1 1656 . 1 1 136 136 TRP CD1 C 13 128.356 0.4 . 1 . . . A 136 TRP CD1 . 19826 1 1657 . 1 1 136 136 TRP CE3 C 13 120.572 0.4 . 1 . . . A 136 TRP CE3 . 19826 1 1658 . 1 1 136 136 TRP CZ2 C 13 114.796 0.4 . 1 . . . A 136 TRP CZ2 . 19826 1 1659 . 1 1 136 136 TRP CZ3 C 13 122.382 0.4 . 1 . . . A 136 TRP CZ3 . 19826 1 1660 . 1 1 136 136 TRP CH2 C 13 124.288 0.4 . 1 . . . A 136 TRP CH2 . 19826 1 1661 . 1 1 136 136 TRP N N 15 125.632 0.4 . 1 . . . A 136 TRP N . 19826 1 1662 . 1 1 136 136 TRP NE1 N 15 131.618 0.4 . 1 . . . A 136 TRP NE1 . 19826 1 1663 . 1 1 137 137 GLU H H 1 8.371 0.02 . 1 . . . A 137 GLU H . 19826 1 1664 . 1 1 137 137 GLU HA H 1 4.255 0.02 . 1 . . . A 137 GLU HA . 19826 1 1665 . 1 1 137 137 GLU HB2 H 1 2.251 0.02 . 2 . . . A 137 GLU HB2 . 19826 1 1666 . 1 1 137 137 GLU HB3 H 1 2.251 0.02 . 2 . . . A 137 GLU HB3 . 19826 1 1667 . 1 1 137 137 GLU HG2 H 1 2.549 0.02 . 2 . . . A 137 GLU HG2 . 19826 1 1668 . 1 1 137 137 GLU HG3 H 1 2.205 0.02 . 2 . . . A 137 GLU HG3 . 19826 1 1669 . 1 1 137 137 GLU C C 13 175.840 0.4 . 1 . . . A 137 GLU C . 19826 1 1670 . 1 1 137 137 GLU CA C 13 58.699 0.4 . 1 . . . A 137 GLU CA . 19826 1 1671 . 1 1 137 137 GLU CB C 13 30.366 0.4 . 1 . . . A 137 GLU CB . 19826 1 1672 . 1 1 137 137 GLU CG C 13 37.279 0.4 . 1 . . . A 137 GLU CG . 19826 1 1673 . 1 1 137 137 GLU N N 15 123.199 0.4 . 1 . . . A 137 GLU N . 19826 1 1674 . 1 1 138 138 LYS H H 1 8.423 0.02 . 1 . . . A 138 LYS H . 19826 1 1675 . 1 1 138 138 LYS HA H 1 4.910 0.02 . 1 . . . A 138 LYS HA . 19826 1 1676 . 1 1 138 138 LYS HB2 H 1 1.782 0.02 . 2 . . . A 138 LYS HB2 . 19826 1 1677 . 1 1 138 138 LYS HB3 H 1 1.690 0.02 . 2 . . . A 138 LYS HB3 . 19826 1 1678 . 1 1 138 138 LYS HG2 H 1 1.374 0.02 . 2 . . . A 138 LYS HG2 . 19826 1 1679 . 1 1 138 138 LYS HG3 H 1 1.493 0.02 . 2 . . . A 138 LYS HG3 . 19826 1 1680 . 1 1 138 138 LYS HD3 H 1 1.717 0.02 . 2 . . . A 138 LYS HD3 . 19826 1 1681 . 1 1 138 138 LYS HE2 H 1 2.634 0.02 . 2 . . . A 138 LYS HE2 . 19826 1 1682 . 1 1 138 138 LYS C C 13 177.520 0.4 . 1 . . . A 138 LYS C . 19826 1 1683 . 1 1 138 138 LYS CA C 13 55.263 0.4 . 1 . . . A 138 LYS CA . 19826 1 1684 . 1 1 138 138 LYS CB C 13 35.856 0.4 . 1 . . . A 138 LYS CB . 19826 1 1685 . 1 1 138 138 LYS CG C 13 25.315 0.4 . 1 . . . A 138 LYS CG . 19826 1 1686 . 1 1 138 138 LYS CD C 13 29.191 0.4 . 1 . . . A 138 LYS CD . 19826 1 1687 . 1 1 138 138 LYS CE C 13 41.368 0.4 . 1 . . . A 138 LYS CE . 19826 1 1688 . 1 1 138 138 LYS N N 15 118.299 0.4 . 1 . . . A 138 LYS N . 19826 1 1689 . 1 1 139 139 ARG H H 1 8.655 0.02 . 1 . . . A 139 ARG H . 19826 1 1690 . 1 1 139 139 ARG HA H 1 5.260 0.02 . 1 . . . A 139 ARG HA . 19826 1 1691 . 1 1 139 139 ARG C C 13 175.220 0.4 . 1 . . . A 139 ARG C . 19826 1 1692 . 1 1 139 139 ARG CA C 13 54.803 0.4 . 1 . . . A 139 ARG CA . 19826 1 1693 . 1 1 139 139 ARG CB C 13 35.882 0.4 . 1 . . . A 139 ARG CB . 19826 1 1694 . 1 1 139 139 ARG CG C 13 25.731 0.4 . 1 . . . A 139 ARG CG . 19826 1 1695 . 1 1 139 139 ARG CD C 13 42.036 0.4 . 1 . . . A 139 ARG CD . 19826 1 1696 . 1 1 139 139 ARG N N 15 123.393 0.4 . 1 . . . A 139 ARG N . 19826 1 1697 . 1 1 140 140 LYS H H 1 8.420 0.02 . 1 . . . A 140 LYS H . 19826 1 1698 . 1 1 140 140 LYS HA H 1 4.929 0.02 . 1 . . . A 140 LYS HA . 19826 1 1699 . 1 1 140 140 LYS HB2 H 1 1.688 0.02 . 2 . . . A 140 LYS HB2 . 19826 1 1700 . 1 1 140 140 LYS HB3 H 1 1.650 0.02 . 2 . . . A 140 LYS HB3 . 19826 1 1701 . 1 1 140 140 LYS HG2 H 1 1.130 0.02 . 2 . . . A 140 LYS HG2 . 19826 1 1702 . 1 1 140 140 LYS HG3 H 1 1.169 0.02 . 2 . . . A 140 LYS HG3 . 19826 1 1703 . 1 1 140 140 LYS HD2 H 1 1.502 0.02 . 2 . . . A 140 LYS HD2 . 19826 1 1704 . 1 1 140 140 LYS HD3 H 1 1.502 0.02 . 2 . . . A 140 LYS HD3 . 19826 1 1705 . 1 1 140 140 LYS HE2 H 1 2.717 0.02 . 2 . . . A 140 LYS HE2 . 19826 1 1706 . 1 1 140 140 LYS HE3 H 1 2.779 0.02 . 2 . . . A 140 LYS HE3 . 19826 1 1707 . 1 1 140 140 LYS C C 13 174.760 0.4 . 1 . . . A 140 LYS C . 19826 1 1708 . 1 1 140 140 LYS CA C 13 55.507 0.4 . 1 . . . A 140 LYS CA . 19826 1 1709 . 1 1 140 140 LYS CB C 13 35.856 0.4 . 1 . . . A 140 LYS CB . 19826 1 1710 . 1 1 140 140 LYS CG C 13 24.562 0.4 . 1 . . . A 140 LYS CG . 19826 1 1711 . 1 1 140 140 LYS CD C 13 29.221 0.4 . 1 . . . A 140 LYS CD . 19826 1 1712 . 1 1 140 140 LYS CE C 13 41.724 0.4 . 1 . . . A 140 LYS CE . 19826 1 1713 . 1 1 141 141 ILE H H 1 8.837 0.02 . 1 . . . A 141 ILE H . 19826 1 1714 . 1 1 141 141 ILE HA H 1 5.385 0.02 . 1 . . . A 141 ILE HA . 19826 1 1715 . 1 1 141 141 ILE HB H 1 1.662 0.02 . 1 . . . A 141 ILE HB . 19826 1 1716 . 1 1 141 141 ILE HG12 H 1 1.142 0.02 . 2 . . . A 141 ILE HG12 . 19826 1 1717 . 1 1 141 141 ILE HG13 H 1 1.325 0.02 . 2 . . . A 141 ILE HG13 . 19826 1 1718 . 1 1 141 141 ILE HG21 H 1 0.731 0.02 . 1 . . . A 141 ILE MG . 19826 1 1719 . 1 1 141 141 ILE HG22 H 1 0.731 0.02 . 1 . . . A 141 ILE MG . 19826 1 1720 . 1 1 141 141 ILE HG23 H 1 0.731 0.02 . 1 . . . A 141 ILE MG . 19826 1 1721 . 1 1 141 141 ILE HD11 H 1 0.641 0.02 . 1 . . . A 141 ILE MD . 19826 1 1722 . 1 1 141 141 ILE HD12 H 1 0.641 0.02 . 1 . . . A 141 ILE MD . 19826 1 1723 . 1 1 141 141 ILE HD13 H 1 0.641 0.02 . 1 . . . A 141 ILE MD . 19826 1 1724 . 1 1 141 141 ILE C C 13 173.910 0.4 . 1 . . . A 141 ILE C . 19826 1 1725 . 1 1 141 141 ILE CA C 13 58.544 0.4 . 1 . . . A 141 ILE CA . 19826 1 1726 . 1 1 141 141 ILE CB C 13 40.349 0.4 . 1 . . . A 141 ILE CB . 19826 1 1727 . 1 1 141 141 ILE CG1 C 13 26.798 0.4 . 1 . . . A 141 ILE CG1 . 19826 1 1728 . 1 1 141 141 ILE CG2 C 13 18.227 0.4 . 1 . . . A 141 ILE CG2 . 19826 1 1729 . 1 1 141 141 ILE CD1 C 13 13.312 0.4 . 1 . . . A 141 ILE CD1 . 19826 1 1730 . 1 1 141 141 ILE N N 15 118.091 0.4 . 1 . . . A 141 ILE N . 19826 1 1731 . 1 1 142 142 PHE H H 1 9.389 0.02 . 1 . . . A 142 PHE H . 19826 1 1732 . 1 1 142 142 PHE HA H 1 4.901 0.02 . 1 . . . A 142 PHE HA . 19826 1 1733 . 1 1 142 142 PHE HB2 H 1 2.971 0.02 . 2 . . . A 142 PHE HB2 . 19826 1 1734 . 1 1 142 142 PHE HB3 H 1 2.971 0.02 . 2 . . . A 142 PHE HB3 . 19826 1 1735 . 1 1 142 142 PHE HD1 H 1 7.009 0.02 . 3 . . . A 142 PHE HD1 . 19826 1 1736 . 1 1 142 142 PHE HD2 H 1 7.009 0.02 . 3 . . . A 142 PHE HD2 . 19826 1 1737 . 1 1 142 142 PHE C C 13 174.680 0.4 . 1 . . . A 142 PHE C . 19826 1 1738 . 1 1 142 142 PHE CA C 13 55.861 0.4 . 1 . . . A 142 PHE CA . 19826 1 1739 . 1 1 142 142 PHE CB C 13 39.423 0.4 . 1 . . . A 142 PHE CB . 19826 1 1740 . 1 1 142 142 PHE CD1 C 13 132.350 0.4 . 3 . . . A 142 PHE CD1 . 19826 1 1741 . 1 1 142 142 PHE CD2 C 13 132.350 0.4 . 3 . . . A 142 PHE CD2 . 19826 1 1742 . 1 1 142 142 PHE CE1 C 13 127.527 0.4 . 3 . . . A 142 PHE CE1 . 19826 1 1743 . 1 1 142 142 PHE CE2 C 13 127.527 0.4 . 3 . . . A 142 PHE CE2 . 19826 1 1744 . 1 1 142 142 PHE N N 15 125.366 0.4 . 1 . . . A 142 PHE N . 19826 1 1745 . 1 1 143 143 VAL H H 1 9.194 0.02 . 1 . . . A 143 VAL H . 19826 1 1746 . 1 1 143 143 VAL HA H 1 4.904 0.02 . 1 . . . A 143 VAL HA . 19826 1 1747 . 1 1 143 143 VAL HB H 1 1.928 0.02 . 1 . . . A 143 VAL HB . 19826 1 1748 . 1 1 143 143 VAL HG11 H 1 0.843 0.02 . 2 . . . A 143 VAL MG1 . 19826 1 1749 . 1 1 143 143 VAL HG12 H 1 0.843 0.02 . 2 . . . A 143 VAL MG1 . 19826 1 1750 . 1 1 143 143 VAL HG13 H 1 0.843 0.02 . 2 . . . A 143 VAL MG1 . 19826 1 1751 . 1 1 143 143 VAL HG21 H 1 0.726 0.02 . 2 . . . A 143 VAL MG2 . 19826 1 1752 . 1 1 143 143 VAL HG22 H 1 0.726 0.02 . 2 . . . A 143 VAL MG2 . 19826 1 1753 . 1 1 143 143 VAL HG23 H 1 0.726 0.02 . 2 . . . A 143 VAL MG2 . 19826 1 1754 . 1 1 143 143 VAL C C 13 174.780 0.4 . 1 . . . A 143 VAL C . 19826 1 1755 . 1 1 143 143 VAL CA C 13 61.262 0.4 . 1 . . . A 143 VAL CA . 19826 1 1756 . 1 1 143 143 VAL CB C 13 33.464 0.4 . 1 . . . A 143 VAL CB . 19826 1 1757 . 1 1 143 143 VAL CG1 C 13 21.580 0.4 . 2 . . . A 143 VAL CG1 . 19826 1 1758 . 1 1 143 143 VAL CG2 C 13 21.388 0.4 . 2 . . . A 143 VAL CG2 . 19826 1 1759 . 1 1 143 143 VAL N N 15 123.641 0.4 . 1 . . . A 143 VAL N . 19826 1 1760 . 1 1 144 144 ALA H H 1 9.148 0.02 . 1 . . . A 144 ALA H . 19826 1 1761 . 1 1 144 144 ALA HA H 1 5.314 0.02 . 1 . . . A 144 ALA HA . 19826 1 1762 . 1 1 144 144 ALA HB1 H 1 1.084 0.02 . 1 . . . A 144 ALA MB . 19826 1 1763 . 1 1 144 144 ALA HB2 H 1 1.084 0.02 . 1 . . . A 144 ALA MB . 19826 1 1764 . 1 1 144 144 ALA HB3 H 1 1.084 0.02 . 1 . . . A 144 ALA MB . 19826 1 1765 . 1 1 144 144 ALA C C 13 175.610 0.4 . 1 . . . A 144 ALA C . 19826 1 1766 . 1 1 144 144 ALA CA C 13 49.848 0.4 . 1 . . . A 144 ALA CA . 19826 1 1767 . 1 1 144 144 ALA CB C 13 22.243 0.4 . 1 . . . A 144 ALA CB . 19826 1 1768 . 1 1 144 144 ALA N N 15 131.115 0.4 . 1 . . . A 144 ALA N . 19826 1 1769 . 1 1 145 145 THR H H 1 8.705 0.02 . 1 . . . A 145 THR H . 19826 1 1770 . 1 1 145 145 THR HA H 1 4.980 0.02 . 1 . . . A 145 THR HA . 19826 1 1771 . 1 1 145 145 THR HB H 1 4.076 0.02 . 1 . . . A 145 THR HB . 19826 1 1772 . 1 1 145 145 THR HG21 H 1 1.419 0.02 . 1 . . . A 145 THR MG . 19826 1 1773 . 1 1 145 145 THR HG22 H 1 1.419 0.02 . 1 . . . A 145 THR MG . 19826 1 1774 . 1 1 145 145 THR HG23 H 1 1.419 0.02 . 1 . . . A 145 THR MG . 19826 1 1775 . 1 1 145 145 THR C C 13 174.760 0.4 . 1 . . . A 145 THR C . 19826 1 1776 . 1 1 145 145 THR CA C 13 62.232 0.4 . 1 . . . A 145 THR CA . 19826 1 1777 . 1 1 145 145 THR CB C 13 70.337 0.4 . 1 . . . A 145 THR CB . 19826 1 1778 . 1 1 145 145 THR CG2 C 13 22.125 0.4 . 1 . . . A 145 THR CG2 . 19826 1 1779 . 1 1 145 145 THR N N 15 118.525 0.4 . 1 . . . A 145 THR N . 19826 1 1780 . 1 1 146 146 GLU H H 1 9.217 0.02 . 1 . . . A 146 GLU H . 19826 1 1781 . 1 1 146 146 GLU HA H 1 4.148 0.02 . 1 . . . A 146 GLU HA . 19826 1 1782 . 1 1 146 146 GLU HB2 H 1 1.880 0.02 . 2 . . . A 146 GLU HB2 . 19826 1 1783 . 1 1 146 146 GLU HB3 H 1 1.880 0.02 . 2 . . . A 146 GLU HB3 . 19826 1 1784 . 1 1 146 146 GLU HG2 H 1 2.040 0.02 . 2 . . . A 146 GLU HG2 . 19826 1 1785 . 1 1 146 146 GLU HG3 H 1 2.166 0.02 . 2 . . . A 146 GLU HG3 . 19826 1 1786 . 1 1 146 146 GLU C C 13 175.630 0.4 . 1 . . . A 146 GLU C . 19826 1 1787 . 1 1 146 146 GLU CA C 13 57.610 0.4 . 1 . . . A 146 GLU CA . 19826 1 1788 . 1 1 146 146 GLU CB C 13 30.350 0.4 . 1 . . . A 146 GLU CB . 19826 1 1789 . 1 1 146 146 GLU CG C 13 35.864 0.4 . 1 . . . A 146 GLU CG . 19826 1 1790 . 1 1 146 146 GLU N N 15 128.082 0.4 . 1 . . . A 146 GLU N . 19826 1 1791 . 1 1 147 147 VAL H H 1 8.184 0.02 . 1 . . . A 147 VAL H . 19826 1 1792 . 1 1 147 147 VAL HA H 1 4.252 0.02 . 1 . . . A 147 VAL HA . 19826 1 1793 . 1 1 147 147 VAL HB H 1 1.859 0.02 . 1 . . . A 147 VAL HB . 19826 1 1794 . 1 1 147 147 VAL HG11 H 1 0.915 0.02 . 2 . . . A 147 VAL MG1 . 19826 1 1795 . 1 1 147 147 VAL HG12 H 1 0.915 0.02 . 2 . . . A 147 VAL MG1 . 19826 1 1796 . 1 1 147 147 VAL HG13 H 1 0.915 0.02 . 2 . . . A 147 VAL MG1 . 19826 1 1797 . 1 1 147 147 VAL HG21 H 1 0.789 0.02 . 2 . . . A 147 VAL MG2 . 19826 1 1798 . 1 1 147 147 VAL HG22 H 1 0.789 0.02 . 2 . . . A 147 VAL MG2 . 19826 1 1799 . 1 1 147 147 VAL HG23 H 1 0.789 0.02 . 2 . . . A 147 VAL MG2 . 19826 1 1800 . 1 1 147 147 VAL C C 13 174.650 0.4 . 1 . . . A 147 VAL C . 19826 1 1801 . 1 1 147 147 VAL CA C 13 61.006 0.4 . 1 . . . A 147 VAL CA . 19826 1 1802 . 1 1 147 147 VAL CB C 13 33.785 0.4 . 1 . . . A 147 VAL CB . 19826 1 1803 . 1 1 147 147 VAL CG1 C 13 21.651 0.4 . 2 . . . A 147 VAL CG1 . 19826 1 1804 . 1 1 147 147 VAL CG2 C 13 21.108 0.4 . 2 . . . A 147 VAL CG2 . 19826 1 1805 . 1 1 147 147 VAL N N 15 124.620 0.4 . 1 . . . A 147 VAL N . 19826 1 1806 . 1 1 148 148 LYS H H 1 8.071 0.02 . 1 . . . A 148 LYS H . 19826 1 1807 . 1 1 148 148 LYS HA H 1 4.166 0.02 . 1 . . . A 148 LYS HA . 19826 1 1808 . 1 1 148 148 LYS HB2 H 1 1.676 0.02 . 2 . . . A 148 LYS HB2 . 19826 1 1809 . 1 1 148 148 LYS HB3 H 1 1.805 0.02 . 2 . . . A 148 LYS HB3 . 19826 1 1810 . 1 1 148 148 LYS HG2 H 1 1.377 0.02 . 2 . . . A 148 LYS HG2 . 19826 1 1811 . 1 1 148 148 LYS HG3 H 1 1.377 0.02 . 2 . . . A 148 LYS HG3 . 19826 1 1812 . 1 1 148 148 LYS HD2 H 1 1.651 0.02 . 2 . . . A 148 LYS HD2 . 19826 1 1813 . 1 1 148 148 LYS HD3 H 1 1.651 0.02 . 2 . . . A 148 LYS HD3 . 19826 1 1814 . 1 1 148 148 LYS HE2 H 1 2.970 0.02 . 2 . . . A 148 LYS HE2 . 19826 1 1815 . 1 1 148 148 LYS HE3 H 1 2.970 0.02 . 2 . . . A 148 LYS HE3 . 19826 1 1816 . 1 1 148 148 LYS C C 13 177.180 0.4 . 1 . . . A 148 LYS C . 19826 1 1817 . 1 1 148 148 LYS CA C 13 57.548 0.4 . 1 . . . A 148 LYS CA . 19826 1 1818 . 1 1 148 148 LYS CB C 13 33.690 0.4 . 1 . . . A 148 LYS CB . 19826 1 1819 . 1 1 148 148 LYS CG C 13 25.126 0.4 . 1 . . . A 148 LYS CG . 19826 1 1820 . 1 1 148 148 LYS CD C 13 29.075 0.4 . 1 . . . A 148 LYS CD . 19826 1 1821 . 1 1 148 148 LYS CE C 13 42.242 0.4 . 1 . . . A 148 LYS CE . 19826 1 1822 . 1 1 148 148 LYS N N 15 130.279 0.4 . 1 . . . A 148 LYS N . 19826 1 1823 . 2 2 1 1 2W7 H121 H 1 3.800 0.02 . 2 . . . . 201 2W7 H121 . 19826 1 1824 . 2 2 1 1 2W7 H122 H 1 3.990 0.02 . 2 . . . . 201 2W7 H122 . 19826 1 1825 . 2 2 1 1 2W7 H3 H 1 8.630 0.02 . 1 . . . . 201 2W7 H3 . 19826 1 1826 . 2 2 1 1 2W7 H7 H 1 7.330 0.02 . 1 . . . . 201 2W7 H7 . 19826 1 1827 . 2 2 1 1 2W7 H8 H 1 7.230 0.02 . 1 . . . . 201 2W7 H8 . 19826 1 1828 . 2 2 1 1 2W7 H9 H 1 7.630 0.02 . 1 . . . . 201 2W7 H9 . 19826 1 1829 . 2 2 1 1 2W7 HX11 H 1 1.920 0.02 . 2 . . . . 201 2W7 HX11 . 19826 1 1830 . 2 2 1 1 2W7 HX12 H 1 1.920 0.02 . 2 . . . . 201 2W7 HX12 . 19826 1 1831 . 2 2 1 1 2W7 HX21 H 1 1.920 0.02 . 2 . . . . 201 2W7 HX21 . 19826 1 1832 . 2 2 1 1 2W7 HX22 H 1 1.920 0.02 . 2 . . . . 201 2W7 HX22 . 19826 1 1833 . 2 2 1 1 2W7 HX31 H 1 1.920 0.02 . 2 . . . . 201 2W7 HX31 . 19826 1 1834 . 2 2 1 1 2W7 HX32 H 1 1.920 0.02 . 2 . . . . 201 2W7 HX32 . 19826 1 1835 . 2 2 1 1 2W7 HY1 H 1 1.900 0.02 . 2 . . . . 201 2W7 HY1 . 19826 1 1836 . 2 2 1 1 2W7 HY2 H 1 1.900 0.02 . 2 . . . . 201 2W7 HY2 . 19826 1 1837 . 2 2 1 1 2W7 HY3 H 1 1.900 0.02 . 2 . . . . 201 2W7 HY3 . 19826 1 1838 . 2 2 1 1 2W7 HZ11 H 1 1.515 0.02 . 2 . . . . 201 2W7 HZ11 . 19826 1 1839 . 2 2 1 1 2W7 HZ12 H 1 1.515 0.02 . 2 . . . . 201 2W7 HZ12 . 19826 1 1840 . 2 2 1 1 2W7 HZ21 H 1 1.515 0.02 . 2 . . . . 201 2W7 HZ21 . 19826 1 1841 . 2 2 1 1 2W7 HZ22 H 1 1.515 0.02 . 2 . . . . 201 2W7 HZ22 . 19826 1 1842 . 2 2 1 1 2W7 HZ31 H 1 1.515 0.02 . 2 . . . . 201 2W7 HZ31 . 19826 1 1843 . 2 2 1 1 2W7 HZ32 H 1 1.515 0.02 . 2 . . . . 201 2W7 HZ32 . 19826 1 stop_ save_