data_16270 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16270 _Entry.Title ; SOLUTION STRUCTURE OF THE S. AUREUS SORTASE A-SUBSTRATE COMPLEX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-01 _Entry.Accession_date 2009-05-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Nuttee Suree N. . . 16270 2 Chu Liew C. Kong . 16270 3 Valerie Villareal V. A. . 16270 4 William Thieu W. . . 16270 5 Evgeny Fadeev E. A. . 16270 6 Jeremy Clemens J. J. . 16270 7 Michael Jung M. E. . 16270 8 Robert Clubb R. T. . 16270 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' . 16270 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EIGHT STRANDED BETA BARREL' . 16270 'ENZYME-SUBSTRATE COMPLEX' . 16270 'SOLUTION NMR' . 16270 SORTASE . 16270 TRANSPEPTIDASE . 16270 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16270 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 636 16270 '15N chemical shifts' 157 16270 '1H chemical shifts' 1017 16270 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 3 . . 2011-01-05 2009-05-01 update BMRB 'correct chemical shift' 16270 2 . . 2009-09-09 2009-05-01 update BMRB 'complete entry citation' 16270 1 . . 2009-07-16 2009-05-01 original author 'original release' 16270 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1ija apo-SrtA 16270 PDB 1t2p apo-SrtA 16270 PDB 2KID 'BMRB Entry Tracking System' 16270 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16270 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19592495 _Citation.Full_citation . _Citation.Title 'The structure of the Staphylococcus aureus sortase-substrate complex reveals how the universally conserved LPXTG sorting signal is recognized' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 36 _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 24465 _Citation.Page_last 24477 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nuttee Suree N. . . 16270 1 2 Chu Liew C. Kong . 16270 1 3 Valerie Villareal V. A. . 16270 1 4 William Thieu W. . . 16270 1 5 Evgeny Fadeev E. A. . 16270 1 6 Jeremy Clemens J. J. . 16270 1 7 Michael Jung M. E. . 16270 1 8 Robert Clubb R. T. . 16270 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cell Wall' 16270 1 complex 16270 1 enzyme 16270 1 NMR 16270 1 sortase 16270 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16270 _Assembly.ID 1 _Assembly.Name 'Sortase A-substrate complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 . . . 16270 1 2 Cbz-LPAT* 2 $Cbz-LPAT B . yes native no no . . . 16270 1 3 Calcium 3 $CA C . no native no no . . . 16270 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 disulfide single . 1 . 1 CYS 126 126 SG . 2 . 2 B27 5 5 SG . . . . . . . . . . 16270 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 126 126 HG . 126 CYS HG 16270 1 . . 2 2 B27 5 5 HG . 184 CYS HG 16270 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ija . . 'solution NMR' . apo-enzyme . 16270 1 yes PDB 1t2p . . X-ray . apo-enzyme . 16270 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sortase_A _Entity.Sf_category entity _Entity.Sf_framecode Sortase_A _Entity.Entry_ID 16270 _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 RDVKPTDVGVLDEQKGKDKQ LTLITCDDYNEKTGVWEKRK IFVATEVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer 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 disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16753.145 _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 19624 . circular_sortase_A . . . . . 99.32 156 99.32 99.32 2.92e-101 . . . . 16270 1 2 no BMRB 19826 . sortase_A . . . . . 100.00 148 99.32 99.32 3.67e-102 . . . . 16270 1 3 no PDB 1IJA . "Structure Of Sortase" . . . . . 100.00 148 100.00 100.00 3.25e-103 . . . . 16270 1 4 no PDB 1T2O . "Crystal Structure Of Se-Srta, C184-Ala" . . . . . 98.65 146 97.95 97.95 5.15e-98 . . . . 16270 1 5 no PDB 1T2P . "Crystal Structure Of Sortase A From Staphylococcus Aureus" . . . . . 98.65 146 100.00 100.00 1.62e-101 . . . . 16270 1 6 no PDB 1T2W . "Crystal Structure Of Sortase A In Complex With A Lpetg Peptide" . . . . . 97.97 145 99.31 99.31 1.70e-99 . . . . 16270 1 7 no PDB 2KID . "Solution Structure Of The S. Aureus Sortase A-Substrate Complex" . . . . . 100.00 148 100.00 100.00 3.25e-103 . . . . 16270 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 99.32 99.32 3.67e-102 . . . . 16270 1 9 no DBJ BAB43619 . "sortase [Staphylococcus aureus subsp. aureus N315]" . . . . . 99.32 206 99.32 99.32 8.39e-101 . . . . 16270 1 10 no DBJ BAB58690 . "sortase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 99.32 206 99.32 99.32 8.39e-101 . . . . 16270 1 11 no DBJ BAB96313 . "sortase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 99.32 206 99.32 99.32 5.30e-101 . . . . 16270 1 12 no DBJ BAF68698 . "sortase A, peptide LPXTG peptidoglycan transferase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 99.32 206 100.00 100.00 4.55e-102 . . . . 16270 1 13 no DBJ BAF79395 . "sortase [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 99.32 206 99.32 99.32 8.39e-101 . . . . 16270 1 14 no EMBL CAG41587 . "sortase A [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 99.32 206 99.32 99.32 8.39e-101 . . . . 16270 1 15 no EMBL CAG44229 . "sortase A [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 99.32 206 99.32 99.32 5.30e-101 . . . . 16270 1 16 no EMBL CAI82090 . "sortase [Staphylococcus aureus RF122]" . . . . . 99.32 206 97.28 97.28 1.71e-98 . . . . 16270 1 17 no EMBL CAQ50958 . "sortase [Staphylococcus aureus subsp. aureus ST398]" . . . . . 99.32 206 98.64 98.64 5.25e-100 . . . . 16270 1 18 no EMBL CBI50513 . "sortase A [Staphylococcus aureus subsp. aureus TW20]" . . . . . 99.32 206 100.00 100.00 4.55e-102 . . . . 16270 1 19 no GB AAD48437 . "sortase [Staphylococcus aureus]" . . . . . 99.32 206 100.00 100.00 4.55e-102 . . . . 16270 1 20 no GB AAW37316 . "sortase [Staphylococcus aureus subsp. aureus COL]" . . . . . 99.32 206 100.00 100.00 4.55e-102 . . . . 16270 1 21 no GB ABD22861 . "sortase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 99.32 206 100.00 100.00 4.55e-102 . . . . 16270 1 22 no GB ABD31836 . "sortase, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 99.32 206 100.00 100.00 4.55e-102 . . . . 16270 1 23 no GB ABQ50328 . "sortase family protein [Staphylococcus aureus subsp. aureus JH9]" . . . . . 99.32 206 99.32 99.32 8.39e-101 . . . . 16270 1 24 no REF WP_000759357 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 98.64 98.64 5.08e-100 . . . . 16270 1 25 no REF WP_000759358 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 97.96 98.64 6.67e-100 . . . . 16270 1 26 no REF WP_000759359 . "MULTISPECIES: sortase A [Bacteria]" . . . . . 99.32 206 99.32 99.32 5.30e-101 . . . . 16270 1 27 no REF WP_000759360 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 98.64 98.64 4.86e-100 . . . . 16270 1 28 no REF WP_000759361 . "sortase A [Staphylococcus aureus]" . . . . . 99.32 206 100.00 100.00 4.55e-102 . . . . 16270 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 . 16270 1 2 . GLN . 16270 1 3 . ALA . 16270 1 4 . LYS . 16270 1 5 . PRO . 16270 1 6 . GLN . 16270 1 7 . ILE . 16270 1 8 . PRO . 16270 1 9 . LYS . 16270 1 10 . ASP . 16270 1 11 . LYS . 16270 1 12 . SER . 16270 1 13 . LYS . 16270 1 14 . VAL . 16270 1 15 . ALA . 16270 1 16 . GLY . 16270 1 17 . TYR . 16270 1 18 . ILE . 16270 1 19 . GLU . 16270 1 20 . ILE . 16270 1 21 . PRO . 16270 1 22 . ASP . 16270 1 23 . ALA . 16270 1 24 . ASP . 16270 1 25 . ILE . 16270 1 26 . LYS . 16270 1 27 . GLU . 16270 1 28 . PRO . 16270 1 29 . VAL . 16270 1 30 . TYR . 16270 1 31 . PRO . 16270 1 32 . GLY . 16270 1 33 . PRO . 16270 1 34 . ALA . 16270 1 35 . THR . 16270 1 36 . PRO . 16270 1 37 . GLU . 16270 1 38 . GLN . 16270 1 39 . LEU . 16270 1 40 . ASN . 16270 1 41 . ARG . 16270 1 42 . GLY . 16270 1 43 . VAL . 16270 1 44 . SER . 16270 1 45 . PHE . 16270 1 46 . ALA . 16270 1 47 . GLU . 16270 1 48 . GLU . 16270 1 49 . ASN . 16270 1 50 . GLU . 16270 1 51 . SER . 16270 1 52 . LEU . 16270 1 53 . ASP . 16270 1 54 . ASP . 16270 1 55 . GLN . 16270 1 56 . ASN . 16270 1 57 . ILE . 16270 1 58 . SER . 16270 1 59 . ILE . 16270 1 60 . ALA . 16270 1 61 . GLY . 16270 1 62 . HIS . 16270 1 63 . THR . 16270 1 64 . PHE . 16270 1 65 . ILE . 16270 1 66 . ASP . 16270 1 67 . ARG . 16270 1 68 . PRO . 16270 1 69 . ASN . 16270 1 70 . TYR . 16270 1 71 . GLN . 16270 1 72 . PHE . 16270 1 73 . THR . 16270 1 74 . ASN . 16270 1 75 . LEU . 16270 1 76 . LYS . 16270 1 77 . ALA . 16270 1 78 . ALA . 16270 1 79 . LYS . 16270 1 80 . LYS . 16270 1 81 . GLY . 16270 1 82 . SER . 16270 1 83 . MET . 16270 1 84 . VAL . 16270 1 85 . TYR . 16270 1 86 . PHE . 16270 1 87 . LYS . 16270 1 88 . VAL . 16270 1 89 . GLY . 16270 1 90 . ASN . 16270 1 91 . GLU . 16270 1 92 . THR . 16270 1 93 . ARG . 16270 1 94 . LYS . 16270 1 95 . TYR . 16270 1 96 . LYS . 16270 1 97 . MET . 16270 1 98 . THR . 16270 1 99 . SER . 16270 1 100 . ILE . 16270 1 101 . ARG . 16270 1 102 . ASP . 16270 1 103 . VAL . 16270 1 104 . LYS . 16270 1 105 . PRO . 16270 1 106 . THR . 16270 1 107 . ASP . 16270 1 108 . VAL . 16270 1 109 . GLY . 16270 1 110 . VAL . 16270 1 111 . LEU . 16270 1 112 . ASP . 16270 1 113 . GLU . 16270 1 114 . GLN . 16270 1 115 . LYS . 16270 1 116 . GLY . 16270 1 117 . LYS . 16270 1 118 . ASP . 16270 1 119 . LYS . 16270 1 120 . GLN . 16270 1 121 . LEU . 16270 1 122 . THR . 16270 1 123 . LEU . 16270 1 124 . ILE . 16270 1 125 . THR . 16270 1 126 . CYS . 16270 1 127 . ASP . 16270 1 128 . ASP . 16270 1 129 . TYR . 16270 1 130 . ASN . 16270 1 131 . GLU . 16270 1 132 . LYS . 16270 1 133 . THR . 16270 1 134 . GLY . 16270 1 135 . VAL . 16270 1 136 . TRP . 16270 1 137 . GLU . 16270 1 138 . LYS . 16270 1 139 . ARG . 16270 1 140 . LYS . 16270 1 141 . ILE . 16270 1 142 . PHE . 16270 1 143 . VAL . 16270 1 144 . ALA . 16270 1 145 . THR . 16270 1 146 . GLU . 16270 1 147 . VAL . 16270 1 148 . LYS . 16270 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 16270 1 . GLN 2 2 16270 1 . ALA 3 3 16270 1 . LYS 4 4 16270 1 . PRO 5 5 16270 1 . GLN 6 6 16270 1 . ILE 7 7 16270 1 . PRO 8 8 16270 1 . LYS 9 9 16270 1 . ASP 10 10 16270 1 . LYS 11 11 16270 1 . SER 12 12 16270 1 . LYS 13 13 16270 1 . VAL 14 14 16270 1 . ALA 15 15 16270 1 . GLY 16 16 16270 1 . TYR 17 17 16270 1 . ILE 18 18 16270 1 . GLU 19 19 16270 1 . ILE 20 20 16270 1 . PRO 21 21 16270 1 . ASP 22 22 16270 1 . ALA 23 23 16270 1 . ASP 24 24 16270 1 . ILE 25 25 16270 1 . LYS 26 26 16270 1 . GLU 27 27 16270 1 . PRO 28 28 16270 1 . VAL 29 29 16270 1 . TYR 30 30 16270 1 . PRO 31 31 16270 1 . GLY 32 32 16270 1 . PRO 33 33 16270 1 . ALA 34 34 16270 1 . THR 35 35 16270 1 . PRO 36 36 16270 1 . GLU 37 37 16270 1 . GLN 38 38 16270 1 . LEU 39 39 16270 1 . ASN 40 40 16270 1 . ARG 41 41 16270 1 . GLY 42 42 16270 1 . VAL 43 43 16270 1 . SER 44 44 16270 1 . PHE 45 45 16270 1 . ALA 46 46 16270 1 . GLU 47 47 16270 1 . GLU 48 48 16270 1 . ASN 49 49 16270 1 . GLU 50 50 16270 1 . SER 51 51 16270 1 . LEU 52 52 16270 1 . ASP 53 53 16270 1 . ASP 54 54 16270 1 . GLN 55 55 16270 1 . ASN 56 56 16270 1 . ILE 57 57 16270 1 . SER 58 58 16270 1 . ILE 59 59 16270 1 . ALA 60 60 16270 1 . GLY 61 61 16270 1 . HIS 62 62 16270 1 . THR 63 63 16270 1 . PHE 64 64 16270 1 . ILE 65 65 16270 1 . ASP 66 66 16270 1 . ARG 67 67 16270 1 . PRO 68 68 16270 1 . ASN 69 69 16270 1 . TYR 70 70 16270 1 . GLN 71 71 16270 1 . PHE 72 72 16270 1 . THR 73 73 16270 1 . ASN 74 74 16270 1 . LEU 75 75 16270 1 . LYS 76 76 16270 1 . ALA 77 77 16270 1 . ALA 78 78 16270 1 . LYS 79 79 16270 1 . LYS 80 80 16270 1 . GLY 81 81 16270 1 . SER 82 82 16270 1 . MET 83 83 16270 1 . VAL 84 84 16270 1 . TYR 85 85 16270 1 . PHE 86 86 16270 1 . LYS 87 87 16270 1 . VAL 88 88 16270 1 . GLY 89 89 16270 1 . ASN 90 90 16270 1 . GLU 91 91 16270 1 . THR 92 92 16270 1 . ARG 93 93 16270 1 . LYS 94 94 16270 1 . TYR 95 95 16270 1 . LYS 96 96 16270 1 . MET 97 97 16270 1 . THR 98 98 16270 1 . SER 99 99 16270 1 . ILE 100 100 16270 1 . ARG 101 101 16270 1 . ASP 102 102 16270 1 . VAL 103 103 16270 1 . LYS 104 104 16270 1 . PRO 105 105 16270 1 . THR 106 106 16270 1 . ASP 107 107 16270 1 . VAL 108 108 16270 1 . GLY 109 109 16270 1 . VAL 110 110 16270 1 . LEU 111 111 16270 1 . ASP 112 112 16270 1 . GLU 113 113 16270 1 . GLN 114 114 16270 1 . LYS 115 115 16270 1 . GLY 116 116 16270 1 . LYS 117 117 16270 1 . ASP 118 118 16270 1 . LYS 119 119 16270 1 . GLN 120 120 16270 1 . LEU 121 121 16270 1 . THR 122 122 16270 1 . LEU 123 123 16270 1 . ILE 124 124 16270 1 . THR 125 125 16270 1 . CYS 126 126 16270 1 . ASP 127 127 16270 1 . ASP 128 128 16270 1 . TYR 129 129 16270 1 . ASN 130 130 16270 1 . GLU 131 131 16270 1 . LYS 132 132 16270 1 . THR 133 133 16270 1 . GLY 134 134 16270 1 . VAL 135 135 16270 1 . TRP 136 136 16270 1 . GLU 137 137 16270 1 . LYS 138 138 16270 1 . ARG 139 139 16270 1 . LYS 140 140 16270 1 . ILE 141 141 16270 1 . PHE 142 142 16270 1 . VAL 143 143 16270 1 . ALA 144 144 16270 1 . THR 145 145 16270 1 . GLU 146 146 16270 1 . VAL 147 147 16270 1 . LYS 148 148 16270 1 stop_ save_ save_Cbz-LPAT _Entity.Sf_category entity _Entity.Sf_framecode Cbz-LPAT _Entity.Entry_ID 16270 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Cbz-LPAT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code XLPAX _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1298.356 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . PHQ . 16270 2 2 . LEU . 16270 2 3 . PRO . 16270 2 4 . ALA . 16270 2 5 . B27 . 16270 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PHQ 1 1 16270 2 . LEU 2 2 16270 2 . PRO 3 3 16270 2 . ALA 4 4 16270 2 . B27 5 5 16270 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16270 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . CA . 16270 3 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 16270 _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' Firmicutes . . Bacteria . STAPHYLOCOCCUS AUREUS . . . . . . . . . . . . . . . . SrtA . . . . 16270 1 2 2 $Cbz-LPAT . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16270 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 16270 _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) . . . . . . . . . . . . Plasmid . . PET9A . . . . . . 16270 1 2 2 $Cbz-LPAT . 'chemical synthesis' none . . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 16270 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16270 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-15 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:34:14 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 16270 CA [Ca++] SMILES CACTVS 3.341 16270 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16270 CA [Ca+2] SMILES ACDLabs 10.04 16270 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16270 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16270 CA InChI=1/Ca/q+2 InChI InChI 1.02b 16270 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16270 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16270 CA 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 CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16270 CA stop_ save_ save_chem_comp_PHQ _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PHQ _Chem_comp.Entry_ID 16270 _Chem_comp.ID PHQ _Chem_comp.Provenance . _Chem_comp.Name 'FORMIC ACID BENZYL ESTER' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code PHQ _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-15 _Chem_comp.Modified_date 2008-10-15 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces BZO,CBZ _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PHQ _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _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 'C8 H8 O2' _Chem_comp.Formula_weight 136.148 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1QDU _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 20:18:26 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1ccc(cc1)COC=O SMILES 'OpenEye OEToolkits' 1.5.0 16270 PHQ c1ccc(cc1)COC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16270 PHQ InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 InChI InChI 1.02b 16270 PHQ O=COCc1ccccc1 SMILES ACDLabs 10.04 16270 PHQ O=COCc1ccccc1 SMILES CACTVS 3.341 16270 PHQ O=COCc1ccccc1 SMILES_CANONICAL CACTVS 3.341 16270 PHQ UYWQUFXKFGHYNT-UHFFFAOYAZ InChIKey InChI 1.02b 16270 PHQ 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 'benzyl formate' 'SYSTEMATIC NAME' ACDLabs 10.04 16270 PHQ 'phenylmethyl methanoate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16270 PHQ 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 C1 . C1 . . C . . N 0 . . . . no no . . . . 60.507 . 80.625 . 55.026 . 0.000 -0.115 -3.118 1 . 16270 PHQ O1 . O1 . . O . . N 0 . . . . no no . . . . 61.691 . 80.415 . 55.366 . -0.001 0.808 -3.896 2 . 16270 PHQ O2 . O2 . . O . . N 0 . . . . no no . . . . 59.874 . 79.798 . 54.082 . -0.000 0.119 -1.796 3 . 16270 PHQ C2 . C2 . . C . . N 0 . . . . no no . . . . 60.663 . 78.718 . 53.534 . 0.002 -0.991 -0.861 4 . 16270 PHQ C3 . C3 . . C . . N 0 . . . . yes no . . . . 59.856 . 77.875 . 52.568 . 0.001 -0.460 0.549 5 . 16270 PHQ C4 . C4 . . C . . N 0 . . . . yes no . . . . 59.055 . 78.460 . 51.535 . -1.196 -0.219 1.195 6 . 16270 PHQ C5 . C5 . . C . . N 0 . . . . yes no . . . . 58.306 . 77.624 . 50.643 . -1.197 0.267 2.489 7 . 16270 PHQ C6 . C6 . . C . . N 0 . . . . yes no . . . . 58.350 . 76.204 . 50.776 . -0.001 0.512 3.136 8 . 16270 PHQ C7 . C7 . . C . . N 0 . . . . yes no . . . . 59.146 . 75.611 . 51.802 . 1.196 0.271 2.490 9 . 16270 PHQ C8 . C8 . . C . . N 0 . . . . yes no . . . . 59.893 . 76.446 . 52.691 . 1.197 -0.219 1.198 10 . 16270 PHQ H11 . H11 . . H . . N 0 . . . . no no . . . . 60.046 . 81.491 . 55.530 . -0.001 -1.131 -3.485 11 . 16270 PHQ H21 . H21 . . H . . N 0 . . . . no no . . . . 61.599 . 79.096 . 53.061 . -0.886 -1.602 -1.020 12 . 16270 PHQ H22 . H22 . . H . . N 0 . . . . no no . . . . 61.115 . 78.094 . 54.339 . 0.893 -1.598 -1.020 13 . 16270 PHQ H41 . H41 . . H . . N 0 . . . . no no . . . . 59.014 . 79.556 . 51.426 . -2.131 -0.411 0.690 14 . 16270 PHQ H51 . H51 . . H . . N 0 . . . . no no . . . . 57.690 . 78.077 . 49.847 . -2.133 0.455 2.994 15 . 16270 PHQ H61 . H61 . . H . . N 0 . . . . no no . . . . 57.770 . 75.566 . 50.087 . -0.002 0.893 4.147 16 . 16270 PHQ H71 . H71 . . H . . N 0 . . . . no no . . . . 59.183 . 74.513 . 51.907 . 2.131 0.463 2.995 17 . 16270 PHQ H81 . H81 . . H . . N 0 . . . . no no . . . . 60.505 . 75.981 . 53.482 . 2.133 -0.408 0.693 18 . 16270 PHQ 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 . DOUB C1 O1 no N 1 . 16270 PHQ 2 . SING C1 O2 no N 2 . 16270 PHQ 3 . SING C1 H11 no N 3 . 16270 PHQ 4 . SING O2 C2 no N 4 . 16270 PHQ 5 . SING C2 C3 no N 5 . 16270 PHQ 6 . SING C2 H21 no N 6 . 16270 PHQ 7 . SING C2 H22 no N 7 . 16270 PHQ 8 . DOUB C3 C4 yes N 8 . 16270 PHQ 9 . SING C3 C8 yes N 9 . 16270 PHQ 10 . SING C4 C5 yes N 10 . 16270 PHQ 11 . SING C4 H41 no N 11 . 16270 PHQ 12 . DOUB C5 C6 yes N 12 . 16270 PHQ 13 . SING C5 H51 no N 13 . 16270 PHQ 14 . SING C6 C7 yes N 14 . 16270 PHQ 15 . SING C6 H61 no N 15 . 16270 PHQ 16 . DOUB C7 C8 yes N 16 . 16270 PHQ 17 . SING C7 H71 no N 17 . 16270 PHQ 18 . SING C8 H81 no N 18 . 16270 PHQ stop_ save_ save_chem_comp_B27 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B27 _Chem_comp.Entry_ID 16270 _Chem_comp.ID B27 _Chem_comp.Provenance . _Chem_comp.Name '(2R,3S) 3-amino-4-mercapto-2-butanol' _Chem_comp.Type 'L-PEPTIDE COOH CARBOXY TERMINUS' _Chem_comp.BMRB_code . _Chem_comp.PDB_code B27 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2009-05-20 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code B27 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID THR _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 (2R,3S)-3-amino-4-sulfanylbutan-2-ol _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H11 N O S' _Chem_comp.Formula_weight 121.201 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2KID _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 16 15:34:49 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(CS)N)O SMILES 'OpenEye OEToolkits' 1.5.0 16270 B27 C[C@H]([C@@H](CS)N)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16270 B27 C[C@@H](O)[C@H](N)CS SMILES_CANONICAL CACTVS 3.341 16270 B27 C[CH](O)[CH](N)CS SMILES CACTVS 3.341 16270 B27 InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1 InChI InChI 1.03 16270 B27 LXDJRZZMWYIUAR-QWWZWVQMSA-N InChIKey InChI 1.03 16270 B27 OC(C)C(N)CS SMILES ACDLabs 10.04 16270 B27 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 (2R,3S)-3-amino-4-sulfanyl-butan-2-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16270 B27 (2R,3S)-3-amino-4-sulfanylbutan-2-ol 'SYSTEMATIC NAME' ACDLabs 10.04 16270 B27 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 N . N . . N . . N 0 . . . . no no . . . . -9.331 . 1.651 . 5.217 . 0.211 1.202 0.857 1 . 16270 B27 CA . CA . . C . . S 0 . . . . no no . . . . -10.181 . 0.746 . 6.036 . 0.181 0.331 -0.325 2 . 16270 B27 CB . CB . . C . . R 0 . . . . no no . . . . -11.366 . 1.535 . 6.599 . 1.540 -0.352 -0.490 3 . 16270 B27 CG2 . CG2 . . C . . N 0 . . . . no no . . . . -11.808 . 2.590 . 5.583 . 2.641 0.708 -0.542 4 . 16270 B27 OG1 . OG1 . . O . . N 0 . . . . no no . . . . -12.443 . 0.649 . 6.862 . 1.771 -1.226 0.617 5 . 16270 B27 SG . SG . . S . . N 0 . . . . no no . . . . -9.655 . -0.529 . 3.679 . -2.533 0.070 -0.101 6 . 16270 B27 CX . CX . . C . . N 0 . . . . no no . . . . -10.688 . -0.403 . 5.161 . -0.906 -0.731 -0.149 7 . 16270 B27 HN . HN . . H . . N 0 . . . . no no . . . . -9.140 . 2.487 . 5.732 . 0.410 0.672 1.692 8 . 16270 B27 HA . HA . . H . . N 0 . . . . no no . . . . -9.592 . 0.334 . 6.869 . -0.035 0.928 -1.211 9 . 16270 B27 HB . HB . . H . . N 0 . . . . no no . . . . -11.064 . 2.032 . 7.533 . 1.547 -0.929 -1.415 10 . 16270 B27 HOG1 . HOG1 . . H . . N 0 . . . . no no . . . . -12.471 . 0.451 . 7.791 . 1.779 -0.780 1.475 11 . 16270 B27 HG2 . HG2 . . H . . N 0 . . . . no no . . . . -12.774 . 2.296 . 5.146 . 3.609 0.221 -0.660 12 . 16270 B27 HG2A . HG2A . . H . . N 0 . . . . no no . . . . -11.914 . 3.562 . 6.086 . 2.465 1.374 -1.387 13 . 16270 B27 HG2B . HG2B . . H . . N 0 . . . . no no . . . . -11.054 . 2.670 . 4.786 . 2.635 1.285 0.383 14 . 16270 B27 HX . HX . . H . . N 0 . . . . no no . . . . -10.637 . -1.345 . 5.726 . -0.869 -1.431 -0.984 15 . 16270 B27 HXA . HXA . . H . . N 0 . . . . no no . . . . -11.730 . -0.210 . 4.868 . -0.739 -1.270 0.784 16 . 16270 B27 HNA . HNA . . H . . N 0 . . . . no no . . . . -8.471 . 1.191 . 4.997 . 0.877 1.951 0.737 17 . 16270 B27 HSG . HSG . . H . . N 0 . . . . no no . . . . -10.413 . -0.559 . 2.623 . -3.376 -0.966 0.055 18 . 16270 B27 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 HN N no N 1 . 16270 B27 2 . SING N CA no N 2 . 16270 B27 3 . SING N HNA no N 3 . 16270 B27 4 . SING CX CA no N 4 . 16270 B27 5 . SING CA CB no N 5 . 16270 B27 6 . SING CA HA no N 6 . 16270 B27 7 . SING CG2 CB no N 7 . 16270 B27 8 . SING CB OG1 no N 8 . 16270 B27 9 . SING CB HB no N 9 . 16270 B27 10 . SING HG2A CG2 no N 10 . 16270 B27 11 . SING CG2 HG2B no N 11 . 16270 B27 12 . SING CG2 HG2 no N 12 . 16270 B27 13 . SING HOG1 OG1 no N 13 . 16270 B27 14 . SING SG CX no N 14 . 16270 B27 15 . SING SG HSG no N 15 . 16270 B27 16 . SING HX CX no N 16 . 16270 B27 17 . SING CX HXA no N 17 . 16270 B27 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16270 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O, 7% 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 . . mM . . . . 16270 1 2 Cbz-LPAT* 'natural abundance' . . 2 $Cbz-LPAT . . 1 . . mM . . . . 16270 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 16270 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16270 1 5 'Calcium Chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16270 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 16270 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16270 1 8 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 16270 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16270 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O, 7% 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% 15N]' . . 1 $Sortase_A . . 1 . . mM . . . . 16270 2 2 Cbz-LPAT* 'natural abundance' . . 2 $Cbz-LPAT . . 1 . . mM . . . . 16270 2 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 16270 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16270 2 5 'Calcium Chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16270 2 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 16270 2 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16270 2 8 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 16270 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16270 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O, 7% 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 . . mM . . . . 16270 3 2 Cbz-LPAT* 'natural abundance' . . 2 $Cbz-LPAT . . 1 . . mM . . . . 16270 3 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 16270 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16270 3 5 'Calcium Chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16270 3 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 16270 3 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16270 3 8 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 16270 3 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 16270 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 16270 1 pH 6.0 . pH 16270 1 pressure 1 . atm 16270 1 temperature 302 . K 16270 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16270 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16270 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16270 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 16270 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 16270 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16270 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16270 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16270 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16270 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16270 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16270 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16270 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16270 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16270 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16270 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16270 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16270 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16270 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16270 _Software.ID 7 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16270 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16270 7 stop_ save_ save_Atnos_Candid _Software.Sf_category software _Software.Sf_framecode Atnos_Candid _Software.Entry_ID 16270 _Software.ID 8 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16270 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16270 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16270 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16270 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16270 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16270 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 BRUKER AVANCE . 500 . . . 16270 1 2 spectrometer_2 Bruker Avance . 600 . . . 16270 1 3 spectrometer_3 Bruker Avance . 800 . . . 16270 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 16270 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 7 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 9 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 12 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 13 '3D HNHB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 1 14 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16270 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 16270 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 16270 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . . . . . 16270 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16270 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 16270 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D 1H-15N NOESY' . . . 16270 1 5 '3D 1H-13C NOESY' . . . 16270 1 6 '3D CBCA(CO)NH' . . . 16270 1 9 '3D HNCACB' . . . 16270 1 11 '3D HCCH-TOCSY' . . . 16270 1 12 '3D HNHA' . . . 16270 1 13 '3D HNHB' . . . 16270 1 14 '3D HCCH-COSY' . . . 16270 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 7 $SPARKY . . 16270 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 2.09 0.00 . 1 . . . . 1 MET HE1 . 16270 1 2 . 1 1 1 1 MET HE2 H 1 2.09 0.00 . 1 . . . . 1 MET HE2 . 16270 1 3 . 1 1 1 1 MET HE3 H 1 2.09 0.00 . 1 . . . . 1 MET HE3 . 16270 1 4 . 1 1 1 1 MET CE C 13 17.02 0.00 . 1 . . . . 1 MET CE . 16270 1 5 . 1 1 2 2 GLN HA H 1 4.38 0.00 . 1 . . . . 2 GLN HA . 16270 1 6 . 1 1 2 2 GLN HB2 H 1 2.06 0.00 . 1 . . . . 2 GLN HB2 . 16270 1 7 . 1 1 2 2 GLN HB3 H 1 1.99 0.00 . 1 . . . . 2 GLN HB3 . 16270 1 8 . 1 1 2 2 GLN HG2 H 1 2.36 0.00 . 1 . . . . 2 GLN HG2 . 16270 1 9 . 1 1 2 2 GLN HG3 H 1 2.00 0.00 . 1 . . . . 2 GLN HG3 . 16270 1 10 . 1 1 2 2 GLN C C 13 175.24 0.00 . 1 . . . . 2 GLN C . 16270 1 11 . 1 1 2 2 GLN CA C 13 55.99 0.00 . 1 . . . . 2 GLN CA . 16270 1 12 . 1 1 2 2 GLN CB C 13 29.88 0.00 . 1 . . . . 2 GLN CB . 16270 1 13 . 1 1 2 2 GLN CG C 13 33.88 0.00 . 1 . . . . 2 GLN CG . 16270 1 14 . 1 1 3 3 ALA H H 1 8.47 0.00 . 1 . . . . 3 ALA H . 16270 1 15 . 1 1 3 3 ALA HA H 1 4.32 0.00 . 1 . . . . 3 ALA HA . 16270 1 16 . 1 1 3 3 ALA HB1 H 1 1.37 0.00 . 1 . . . . 3 ALA HB . 16270 1 17 . 1 1 3 3 ALA HB2 H 1 1.37 0.00 . 1 . . . . 3 ALA HB . 16270 1 18 . 1 1 3 3 ALA HB3 H 1 1.37 0.00 . 1 . . . . 3 ALA HB . 16270 1 19 . 1 1 3 3 ALA CA C 13 52.30 0.00 . 1 . . . . 3 ALA CA . 16270 1 20 . 1 1 3 3 ALA CB C 13 19.72 0.00 . 1 . . . . 3 ALA CB . 16270 1 21 . 1 1 3 3 ALA N N 15 127.13 0.00 . 1 . . . . 3 ALA N . 16270 1 22 . 1 1 4 4 LYS H H 1 8.27 0.00 . 1 . . . . 4 LYS H . 16270 1 23 . 1 1 4 4 LYS HA H 1 4.60 0.00 . 1 . . . . 4 LYS HA . 16270 1 24 . 1 1 4 4 LYS HB2 H 1 1.85 0.00 . 1 . . . . 4 LYS HB2 . 16270 1 25 . 1 1 4 4 LYS HB3 H 1 1.68 0.00 . 1 . . . . 4 LYS HB3 . 16270 1 26 . 1 1 4 4 LYS HD2 H 1 1.64 0.00 . 2 . . . . 4 LYS HD2 . 16270 1 27 . 1 1 4 4 LYS HD3 H 1 1.64 0.00 . 2 . . . . 4 LYS HD3 . 16270 1 28 . 1 1 4 4 LYS HG2 H 1 1.33 0.00 . 2 . . . . 4 LYS HG2 . 16270 1 29 . 1 1 4 4 LYS HG3 H 1 1.33 0.00 . 2 . . . . 4 LYS HG3 . 16270 1 30 . 1 1 4 4 LYS CA C 13 54.38 0.00 . 1 . . . . 4 LYS CA . 16270 1 31 . 1 1 4 4 LYS CB C 13 32.64 0.00 . 1 . . . . 4 LYS CB . 16270 1 32 . 1 1 4 4 LYS CD C 13 29.41 0.00 . 1 . . . . 4 LYS CD . 16270 1 33 . 1 1 4 4 LYS CE C 13 41.96 0.00 . 1 . . . . 4 LYS CE . 16270 1 34 . 1 1 4 4 LYS CG C 13 24.25 0.00 . 1 . . . . 4 LYS CG . 16270 1 35 . 1 1 4 4 LYS N N 15 122.64 0.00 . 1 . . . . 4 LYS N . 16270 1 36 . 1 1 5 5 PRO HA H 1 4.44 0.00 . 1 . . . . 5 PRO HA . 16270 1 37 . 1 1 5 5 PRO HB2 H 1 2.12 0.00 . 1 . . . . 5 PRO HB2 . 16270 1 38 . 1 1 5 5 PRO HB3 H 1 1.71 0.00 . 1 . . . . 5 PRO HB3 . 16270 1 39 . 1 1 5 5 PRO HD2 H 1 3.82 0.00 . 1 . . . . 5 PRO HD2 . 16270 1 40 . 1 1 5 5 PRO HD3 H 1 3.62 0.00 . 1 . . . . 5 PRO HD3 . 16270 1 41 . 1 1 5 5 PRO HG2 H 1 1.96 0.00 . 1 . . . . 5 PRO HG2 . 16270 1 42 . 1 1 5 5 PRO HG3 H 1 1.88 0.00 . 1 . . . . 5 PRO HG3 . 16270 1 43 . 1 1 5 5 PRO C C 13 175.75 0.00 . 1 . . . . 5 PRO C . 16270 1 44 . 1 1 5 5 PRO CA C 13 63.29 0.00 . 1 . . . . 5 PRO CA . 16270 1 45 . 1 1 5 5 PRO CB C 13 32.35 0.00 . 1 . . . . 5 PRO CB . 16270 1 46 . 1 1 5 5 PRO CD C 13 51.02 0.00 . 1 . . . . 5 PRO CD . 16270 1 47 . 1 1 5 5 PRO CG C 13 27.87 0.00 . 1 . . . . 5 PRO CG . 16270 1 48 . 1 1 6 6 GLN H H 1 8.24 0.00 . 1 . . . . 6 GLN H . 16270 1 49 . 1 1 6 6 GLN HA H 1 4.58 0.00 . 1 . . . . 6 GLN HA . 16270 1 50 . 1 1 6 6 GLN HB2 H 1 2.03 0.00 . 1 . . . . 6 GLN HB2 . 16270 1 51 . 1 1 6 6 GLN HB3 H 1 1.80 0.00 . 1 . . . . 6 GLN HB3 . 16270 1 52 . 1 1 6 6 GLN HE21 H 1 7.45 0.00 . 1 . . . . 6 GLN HE22 . 16270 1 53 . 1 1 6 6 GLN HE22 H 1 6.88 0.00 . 1 . . . . 6 GLN HE23 . 16270 1 54 . 1 1 6 6 GLN HG2 H 1 2.35 0.00 . 1 . . . . 6 GLN HG2 . 16270 1 55 . 1 1 6 6 GLN HG3 H 1 2.30 0.00 . 1 . . . . 6 GLN HG3 . 16270 1 56 . 1 1 6 6 GLN C C 13 175.53 0.00 . 1 . . . . 6 GLN C . 16270 1 57 . 1 1 6 6 GLN CA C 13 54.25 0.00 . 1 . . . . 6 GLN CA . 16270 1 58 . 1 1 6 6 GLN CB C 13 32.61 0.00 . 1 . . . . 6 GLN CB . 16270 1 59 . 1 1 6 6 GLN CG C 13 33.84 0.00 . 1 . . . . 6 GLN CG . 16270 1 60 . 1 1 6 6 GLN N N 15 118.67 0.00 . 1 . . . . 6 GLN N . 16270 1 61 . 1 1 6 6 GLN NE2 N 15 112.21 0.00 . 1 . . . . 6 GLN NE2 . 16270 1 62 . 1 1 7 7 ILE H H 1 8.54 0.00 . 1 . . . . 7 ILE H . 16270 1 63 . 1 1 7 7 ILE HA H 1 4.25 0.00 . 1 . . . . 7 ILE HA . 16270 1 64 . 1 1 7 7 ILE HB H 1 1.72 0.00 . 1 . . . . 7 ILE HB . 16270 1 65 . 1 1 7 7 ILE HD11 H 1 0.09 0.00 . 1 . . . . 7 ILE HD1 . 16270 1 66 . 1 1 7 7 ILE HD12 H 1 0.09 0.00 . 1 . . . . 7 ILE HD1 . 16270 1 67 . 1 1 7 7 ILE HD13 H 1 0.09 0.00 . 1 . . . . 7 ILE HD1 . 16270 1 68 . 1 1 7 7 ILE HG12 H 1 1.62 0.00 . 1 . . . . 7 ILE HG12 . 16270 1 69 . 1 1 7 7 ILE HG13 H 1 0.63 0.00 . 1 . . . . 7 ILE HG13 . 16270 1 70 . 1 1 7 7 ILE HG21 H 1 1.07 0.00 . 1 . . . . 7 ILE HG2 . 16270 1 71 . 1 1 7 7 ILE HG22 H 1 1.07 0.00 . 1 . . . . 7 ILE HG2 . 16270 1 72 . 1 1 7 7 ILE HG23 H 1 1.07 0.00 . 1 . . . . 7 ILE HG2 . 16270 1 73 . 1 1 7 7 ILE CA C 13 60.59 0.00 . 1 . . . . 7 ILE CA . 16270 1 74 . 1 1 7 7 ILE CB C 13 39.15 0.00 . 1 . . . . 7 ILE CB . 16270 1 75 . 1 1 7 7 ILE CD1 C 13 12.43 0.00 . 1 . . . . 7 ILE CD1 . 16270 1 76 . 1 1 7 7 ILE CG1 C 13 29.36 0.00 . 1 . . . . 7 ILE CG1 . 16270 1 77 . 1 1 7 7 ILE CG2 C 13 17.08 0.00 . 1 . . . . 7 ILE CG2 . 16270 1 78 . 1 1 7 7 ILE N N 15 125.51 0.00 . 1 . . . . 7 ILE N . 16270 1 79 . 1 1 8 8 PRO HA H 1 4.38 0.00 . 1 . . . . 8 PRO HA . 16270 1 80 . 1 1 8 8 PRO HB2 H 1 2.48 0.00 . 1 . . . . 8 PRO HB2 . 16270 1 81 . 1 1 8 8 PRO HB3 H 1 2.14 0.00 . 1 . . . . 8 PRO HB3 . 16270 1 82 . 1 1 8 8 PRO HD2 H 1 4.21 0.00 . 1 . . . . 8 PRO HD2 . 16270 1 83 . 1 1 8 8 PRO HD3 H 1 3.59 0.00 . 1 . . . . 8 PRO HD3 . 16270 1 84 . 1 1 8 8 PRO HG2 H 1 1.98 0.00 . 1 . . . . 8 PRO HG2 . 16270 1 85 . 1 1 8 8 PRO HG3 H 1 1.98 0.00 . 1 . . . . 8 PRO HG3 . 16270 1 86 . 1 1 8 8 PRO C C 13 176.97 0.00 . 1 . . . . 8 PRO C . 16270 1 87 . 1 1 8 8 PRO CA C 13 63.49 0.00 . 1 . . . . 8 PRO CA . 16270 1 88 . 1 1 8 8 PRO CB C 13 33.13 0.00 . 1 . . . . 8 PRO CB . 16270 1 89 . 1 1 8 8 PRO CD C 13 52.03 0.00 . 1 . . . . 8 PRO CD . 16270 1 90 . 1 1 8 8 PRO CG C 13 27.52 0.00 . 1 . . . . 8 PRO CG . 16270 1 91 . 1 1 9 9 LYS H H 1 8.19 0.00 . 1 . . . . 9 LYS H . 16270 1 92 . 1 1 9 9 LYS HA H 1 4.26 0.00 . 1 . . . . 9 LYS HA . 16270 1 93 . 1 1 9 9 LYS HB2 H 1 1.89 0.00 . 1 . . . . 9 LYS HB2 . 16270 1 94 . 1 1 9 9 LYS HB3 H 1 1.78 0.00 . 1 . . . . 9 LYS HB3 . 16270 1 95 . 1 1 9 9 LYS HG2 H 1 1.59 0.00 . 1 . . . . 9 LYS HG2 . 16270 1 96 . 1 1 9 9 LYS HG3 H 1 1.55 0.00 . 1 . . . . 9 LYS HG3 . 16270 1 97 . 1 1 9 9 LYS C C 13 177.25 0.00 . 1 . . . . 9 LYS C . 16270 1 98 . 1 1 9 9 LYS CA C 13 56.90 0.00 . 1 . . . . 9 LYS CA . 16270 1 99 . 1 1 9 9 LYS CB C 13 32.79 0.00 . 1 . . . . 9 LYS CB . 16270 1 100 . 1 1 9 9 LYS CD C 13 29.48 0.00 . 1 . . . . 9 LYS CD . 16270 1 101 . 1 1 9 9 LYS CE C 13 43.22 0.00 . 1 . . . . 9 LYS CE . 16270 1 102 . 1 1 9 9 LYS CG C 13 25.46 0.00 . 1 . . . . 9 LYS CG . 16270 1 103 . 1 1 9 9 LYS N N 15 119.99 0.00 . 1 . . . . 9 LYS N . 16270 1 104 . 1 1 10 10 ASP H H 1 7.37 0.00 . 1 . . . . 10 ASP H . 16270 1 105 . 1 1 10 10 ASP HA H 1 4.62 0.00 . 1 . . . . 10 ASP HA . 16270 1 106 . 1 1 10 10 ASP HB2 H 1 2.81 0.00 . 1 . . . . 10 ASP HB2 . 16270 1 107 . 1 1 10 10 ASP HB3 H 1 2.61 0.00 . 1 . . . . 10 ASP HB3 . 16270 1 108 . 1 1 10 10 ASP C C 13 174.10 0.00 . 1 . . . . 10 ASP C . 16270 1 109 . 1 1 10 10 ASP CA C 13 53.80 0.00 . 1 . . . . 10 ASP CA . 16270 1 110 . 1 1 10 10 ASP CB C 13 40.78 0.00 . 1 . . . . 10 ASP CB . 16270 1 111 . 1 1 10 10 ASP N N 15 119.10 0.00 . 1 . . . . 10 ASP N . 16270 1 112 . 1 1 11 11 LYS H H 1 8.44 0.00 . 1 . . . . 11 LYS H . 16270 1 113 . 1 1 11 11 LYS HA H 1 3.90 0.00 . 1 . . . . 11 LYS HA . 16270 1 114 . 1 1 11 11 LYS HB2 H 1 2.11 0.00 . 1 . . . . 11 LYS HB2 . 16270 1 115 . 1 1 11 11 LYS HB3 H 1 1.79 0.00 . 1 . . . . 11 LYS HB3 . 16270 1 116 . 1 1 11 11 LYS HD2 H 1 1.66 0.00 . 1 . . . . 11 LYS HD2 . 16270 1 117 . 1 1 11 11 LYS HD3 H 1 1.60 0.00 . 1 . . . . 11 LYS HD3 . 16270 1 118 . 1 1 11 11 LYS HE2 H 1 3.16 0.00 . 2 . . . . 11 LYS HE2 . 16270 1 119 . 1 1 11 11 LYS HE3 H 1 3.16 0.00 . 2 . . . . 11 LYS HE3 . 16270 1 120 . 1 1 11 11 LYS HG2 H 1 1.67 0.00 . 1 . . . . 11 LYS HG2 . 16270 1 121 . 1 1 11 11 LYS HG3 H 1 1.53 0.00 . 1 . . . . 11 LYS HG3 . 16270 1 122 . 1 1 11 11 LYS C C 13 175.77 0.00 . 1 . . . . 11 LYS C . 16270 1 123 . 1 1 11 11 LYS CA C 13 58.48 0.00 . 1 . . . . 11 LYS CA . 16270 1 124 . 1 1 11 11 LYS CB C 13 32.04 0.00 . 1 . . . . 11 LYS CB . 16270 1 125 . 1 1 11 11 LYS CD C 13 29.10 0.00 . 1 . . . . 11 LYS CD . 16270 1 126 . 1 1 11 11 LYS CE C 13 42.72 0.00 . 1 . . . . 11 LYS CE . 16270 1 127 . 1 1 11 11 LYS CG C 13 26.14 0.00 . 1 . . . . 11 LYS CG . 16270 1 128 . 1 1 11 11 LYS N N 15 124.48 0.00 . 1 . . . . 11 LYS N . 16270 1 129 . 1 1 12 12 SER H H 1 8.69 0.00 . 1 . . . . 12 SER H . 16270 1 130 . 1 1 12 12 SER HA H 1 4.32 0.00 . 1 . . . . 12 SER HA . 16270 1 131 . 1 1 12 12 SER HB2 H 1 4.11 0.00 . 1 . . . . 12 SER HB2 . 16270 1 132 . 1 1 12 12 SER HB3 H 1 3.78 0.00 . 1 . . . . 12 SER HB3 . 16270 1 133 . 1 1 12 12 SER C C 13 176.60 0.00 . 1 . . . . 12 SER C . 16270 1 134 . 1 1 12 12 SER CA C 13 59.02 0.00 . 1 . . . . 12 SER CA . 16270 1 135 . 1 1 12 12 SER CB C 13 65.03 0.00 . 1 . . . . 12 SER CB . 16270 1 136 . 1 1 12 12 SER N N 15 111.50 0.00 . 1 . . . . 12 SER N . 16270 1 137 . 1 1 13 13 LYS H H 1 7.64 0.00 . 1 . . . . 13 LYS H . 16270 1 138 . 1 1 13 13 LYS HA H 1 4.50 0.00 . 1 . . . . 13 LYS HA . 16270 1 139 . 1 1 13 13 LYS HB2 H 1 1.82 0.00 . 1 . . . . 13 LYS HB2 . 16270 1 140 . 1 1 13 13 LYS HB3 H 1 1.93 0.00 . 1 . . . . 13 LYS HB3 . 16270 1 141 . 1 1 13 13 LYS HD2 H 1 1.44 0.00 . 2 . . . . 13 LYS HD2 . 16270 1 142 . 1 1 13 13 LYS HD3 H 1 1.44 0.00 . 2 . . . . 13 LYS HD3 . 16270 1 143 . 1 1 13 13 LYS HE2 H 1 2.80 0.00 . 1 . . . . 13 LYS HE2 . 16270 1 144 . 1 1 13 13 LYS HE3 H 1 2.67 0.00 . 1 . . . . 13 LYS HE3 . 16270 1 145 . 1 1 13 13 LYS HG2 H 1 1.34 0.00 . 1 . . . . 13 LYS HG2 . 16270 1 146 . 1 1 13 13 LYS HG3 H 1 1.38 0.00 . 1 . . . . 13 LYS HG3 . 16270 1 147 . 1 1 13 13 LYS C C 13 174.05 0.00 . 1 . . . . 13 LYS C . 16270 1 148 . 1 1 13 13 LYS CA C 13 55.12 0.00 . 1 . . . . 13 LYS CA . 16270 1 149 . 1 1 13 13 LYS CB C 13 33.96 0.00 . 1 . . . . 13 LYS CB . 16270 1 150 . 1 1 13 13 LYS CD C 13 28.90 0.00 . 1 . . . . 13 LYS CD . 16270 1 151 . 1 1 13 13 LYS CE C 13 41.86 0.00 . 1 . . . . 13 LYS CE . 16270 1 152 . 1 1 13 13 LYS CG C 13 25.11 0.00 . 1 . . . . 13 LYS CG . 16270 1 153 . 1 1 13 13 LYS N N 15 124.87 0.00 . 1 . . . . 13 LYS N . 16270 1 154 . 1 1 14 14 VAL H H 1 7.77 0.00 . 1 . . . . 14 VAL H . 16270 1 155 . 1 1 14 14 VAL HA H 1 2.86 0.00 . 1 . . . . 14 VAL HA . 16270 1 156 . 1 1 14 14 VAL HB H 1 1.70 0.00 . 1 . . . . 14 VAL HB . 16270 1 157 . 1 1 14 14 VAL HG11 H 1 0.50 0.00 . 1 . . . . 14 VAL HG1 . 16270 1 158 . 1 1 14 14 VAL HG12 H 1 0.50 0.00 . 1 . . . . 14 VAL HG1 . 16270 1 159 . 1 1 14 14 VAL HG13 H 1 0.50 0.00 . 1 . . . . 14 VAL HG1 . 16270 1 160 . 1 1 14 14 VAL HG21 H 1 0.67 0.00 . 1 . . . . 14 VAL HG2 . 16270 1 161 . 1 1 14 14 VAL HG22 H 1 0.67 0.00 . 1 . . . . 14 VAL HG2 . 16270 1 162 . 1 1 14 14 VAL HG23 H 1 0.67 0.00 . 1 . . . . 14 VAL HG2 . 16270 1 163 . 1 1 14 14 VAL C C 13 173.90 0.00 . 1 . . . . 14 VAL C . 16270 1 164 . 1 1 14 14 VAL CA C 13 64.30 0.00 . 1 . . . . 14 VAL CA . 16270 1 165 . 1 1 14 14 VAL CB C 13 33.01 0.00 . 1 . . . . 14 VAL CB . 16270 1 166 . 1 1 14 14 VAL CG1 C 13 22.52 0.00 . 1 . . . . 14 VAL CG1 . 16270 1 167 . 1 1 14 14 VAL CG2 C 13 23.34 0.00 . 1 . . . . 14 VAL CG2 . 16270 1 168 . 1 1 14 14 VAL N N 15 119.98 0.00 . 1 . . . . 14 VAL N . 16270 1 169 . 1 1 15 15 ALA H H 1 9.30 0.00 . 1 . . . . 15 ALA H . 16270 1 170 . 1 1 15 15 ALA HA H 1 4.39 0.00 . 1 . . . . 15 ALA HA . 16270 1 171 . 1 1 15 15 ALA HB1 H 1 1.47 0.00 . 1 . . . . 15 ALA HB . 16270 1 172 . 1 1 15 15 ALA HB2 H 1 1.47 0.00 . 1 . . . . 15 ALA HB . 16270 1 173 . 1 1 15 15 ALA HB3 H 1 1.47 0.00 . 1 . . . . 15 ALA HB . 16270 1 174 . 1 1 15 15 ALA C C 13 173.70 0.00 . 1 . . . . 15 ALA C . 16270 1 175 . 1 1 15 15 ALA CA C 13 52.30 0.00 . 1 . . . . 15 ALA CA . 16270 1 176 . 1 1 15 15 ALA CB C 13 22.36 0.00 . 1 . . . . 15 ALA CB . 16270 1 177 . 1 1 15 15 ALA N N 15 128.70 0.00 . 1 . . . . 15 ALA N . 16270 1 178 . 1 1 16 16 GLY H H 1 7.44 0.00 . 1 . . . . 16 GLY H . 16270 1 179 . 1 1 16 16 GLY HA2 H 1 4.14 0.00 . 1 . . . . 16 GLY HA2 . 16270 1 180 . 1 1 16 16 GLY HA3 H 1 4.04 0.00 . 1 . . . . 16 GLY HA3 . 16270 1 181 . 1 1 16 16 GLY C C 13 170.17 0.00 . 1 . . . . 16 GLY C . 16270 1 182 . 1 1 16 16 GLY CA C 13 45.79 0.00 . 1 . . . . 16 GLY CA . 16270 1 183 . 1 1 16 16 GLY N N 15 104.83 0.00 . 1 . . . . 16 GLY N . 16270 1 184 . 1 1 17 17 TYR H H 1 8.92 0.00 . 1 . . . . 17 TYR H . 16270 1 185 . 1 1 17 17 TYR HA H 1 5.26 0.00 . 1 . . . . 17 TYR HA . 16270 1 186 . 1 1 17 17 TYR HB2 H 1 2.80 0.00 . 1 . . . . 17 TYR HB2 . 16270 1 187 . 1 1 17 17 TYR HB3 H 1 2.71 0.00 . 1 . . . . 17 TYR HB3 . 16270 1 188 . 1 1 17 17 TYR HD1 H 1 6.85 0.00 . 3 . . . . 17 TYR HD# . 16270 1 189 . 1 1 17 17 TYR HE1 H 1 6.71 0.00 . 3 . . . . 17 TYR HE# . 16270 1 190 . 1 1 17 17 TYR C C 13 174.37 0.00 . 1 . . . . 17 TYR C . 16270 1 191 . 1 1 17 17 TYR CA C 13 57.82 0.00 . 1 . . . . 17 TYR CA . 16270 1 192 . 1 1 17 17 TYR CB C 13 43.27 0.00 . 1 . . . . 17 TYR CB . 16270 1 193 . 1 1 17 17 TYR CD1 C 13 133.14 0.00 . 3 . . . . 17 TYR CD1 . 16270 1 194 . 1 1 17 17 TYR CE1 C 13 118.02 0.00 . 3 . . . . 17 TYR CE1 . 16270 1 195 . 1 1 17 17 TYR N N 15 117.94 0.00 . 1 . . . . 17 TYR N . 16270 1 196 . 1 1 18 18 ILE H H 1 9.49 0.00 . 1 . . . . 18 ILE H . 16270 1 197 . 1 1 18 18 ILE HA H 1 5.59 0.00 . 1 . . . . 18 ILE HA . 16270 1 198 . 1 1 18 18 ILE HB H 1 1.39 0.00 . 1 . . . . 18 ILE HB . 16270 1 199 . 1 1 18 18 ILE HD11 H 1 0.52 0.00 . 1 . . . . 18 ILE HD1 . 16270 1 200 . 1 1 18 18 ILE HD12 H 1 0.52 0.00 . 1 . . . . 18 ILE HD1 . 16270 1 201 . 1 1 18 18 ILE HD13 H 1 0.52 0.00 . 1 . . . . 18 ILE HD1 . 16270 1 202 . 1 1 18 18 ILE HG12 H 1 1.45 0.00 . 1 . . . . 18 ILE HG12 . 16270 1 203 . 1 1 18 18 ILE HG13 H 1 0.88 0.00 . 1 . . . . 18 ILE HG13 . 16270 1 204 . 1 1 18 18 ILE HG21 H 1 0.85 0.00 . 1 . . . . 18 ILE HG2 . 16270 1 205 . 1 1 18 18 ILE HG22 H 1 0.85 0.00 . 1 . . . . 18 ILE HG2 . 16270 1 206 . 1 1 18 18 ILE HG23 H 1 0.85 0.00 . 1 . . . . 18 ILE HG2 . 16270 1 207 . 1 1 18 18 ILE C C 13 172.86 0.00 . 1 . . . . 18 ILE C . 16270 1 208 . 1 1 18 18 ILE CA C 13 58.15 0.00 . 1 . . . . 18 ILE CA . 16270 1 209 . 1 1 18 18 ILE CB C 13 43.13 0.00 . 1 . . . . 18 ILE CB . 16270 1 210 . 1 1 18 18 ILE CD1 C 13 15.57 0.00 . 1 . . . . 18 ILE CD1 . 16270 1 211 . 1 1 18 18 ILE CG1 C 13 29.84 0.00 . 1 . . . . 18 ILE CG1 . 16270 1 212 . 1 1 18 18 ILE CG2 C 13 16.87 0.00 . 1 . . . . 18 ILE CG2 . 16270 1 213 . 1 1 18 18 ILE N N 15 123.64 0.00 . 1 . . . . 18 ILE N . 16270 1 214 . 1 1 19 19 GLU H H 1 9.32 0.00 . 1 . . . . 19 GLU H . 16270 1 215 . 1 1 19 19 GLU HA H 1 5.45 0.00 . 1 . . . . 19 GLU HA . 16270 1 216 . 1 1 19 19 GLU HB2 H 1 2.13 0.00 . 2 . . . . 19 GLU HB2 . 16270 1 217 . 1 1 19 19 GLU HB3 H 1 2.13 0.00 . 2 . . . . 19 GLU HB3 . 16270 1 218 . 1 1 19 19 GLU HG2 H 1 2.31 0.00 . 1 . . . . 19 GLU HG2 . 16270 1 219 . 1 1 19 19 GLU HG3 H 1 2.11 0.00 . 1 . . . . 19 GLU HG3 . 16270 1 220 . 1 1 19 19 GLU C C 13 175.91 0.00 . 1 . . . . 19 GLU C . 16270 1 221 . 1 1 19 19 GLU CA C 13 54.53 0.00 . 1 . . . . 19 GLU CA . 16270 1 222 . 1 1 19 19 GLU CB C 13 34.20 0.00 . 1 . . . . 19 GLU CB . 16270 1 223 . 1 1 19 19 GLU CG C 13 36.87 0.00 . 1 . . . . 19 GLU CG . 16270 1 224 . 1 1 19 19 GLU N N 15 126.81 0.00 . 1 . . . . 19 GLU N . 16270 1 225 . 1 1 20 20 ILE H H 1 8.85 0.00 . 1 . . . . 20 ILE H . 16270 1 226 . 1 1 20 20 ILE HA H 1 4.96 0.00 . 1 . . . . 20 ILE HA . 16270 1 227 . 1 1 20 20 ILE HB H 1 1.86 0.00 . 1 . . . . 20 ILE HB . 16270 1 228 . 1 1 20 20 ILE HD11 H 1 0.40 0.00 . 1 . . . . 20 ILE HD1 . 16270 1 229 . 1 1 20 20 ILE HD12 H 1 0.40 0.00 . 1 . . . . 20 ILE HD1 . 16270 1 230 . 1 1 20 20 ILE HD13 H 1 0.40 0.00 . 1 . . . . 20 ILE HD1 . 16270 1 231 . 1 1 20 20 ILE HG12 H 1 1.43 0.00 . 1 . . . . 20 ILE HG12 . 16270 1 232 . 1 1 20 20 ILE HG13 H 1 0.93 0.00 . 1 . . . . 20 ILE HG13 . 16270 1 233 . 1 1 20 20 ILE HG21 H 1 0.72 0.00 . 1 . . . . 20 ILE HG2 . 16270 1 234 . 1 1 20 20 ILE HG22 H 1 0.72 0.00 . 1 . . . . 20 ILE HG2 . 16270 1 235 . 1 1 20 20 ILE HG23 H 1 0.72 0.00 . 1 . . . . 20 ILE HG2 . 16270 1 236 . 1 1 20 20 ILE CA C 13 58.77 0.00 . 1 . . . . 20 ILE CA . 16270 1 237 . 1 1 20 20 ILE CB C 13 40.00 0.00 . 1 . . . . 20 ILE CB . 16270 1 238 . 1 1 20 20 ILE CD1 C 13 15.57 0.00 . 1 . . . . 20 ILE CD1 . 16270 1 239 . 1 1 20 20 ILE CG1 C 13 28.28 0.00 . 1 . . . . 20 ILE CG1 . 16270 1 240 . 1 1 20 20 ILE CG2 C 13 18.57 0.00 . 1 . . . . 20 ILE CG2 . 16270 1 241 . 1 1 20 20 ILE N N 15 121.88 0.00 . 1 . . . . 20 ILE N . 16270 1 242 . 1 1 21 21 PRO HA H 1 4.57 0.00 . 1 . . . . 21 PRO HA . 16270 1 243 . 1 1 21 21 PRO HB2 H 1 2.52 0.00 . 1 . . . . 21 PRO HB2 . 16270 1 244 . 1 1 21 21 PRO HB3 H 1 2.19 0.00 . 1 . . . . 21 PRO HB3 . 16270 1 245 . 1 1 21 21 PRO HD2 H 1 4.20 0.00 . 1 . . . . 21 PRO HD2 . 16270 1 246 . 1 1 21 21 PRO HD3 H 1 3.58 0.00 . 1 . . . . 21 PRO HD3 . 16270 1 247 . 1 1 21 21 PRO HG2 H 1 2.20 0.00 . 1 . . . . 21 PRO HG2 . 16270 1 248 . 1 1 21 21 PRO HG3 H 1 2.34 0.00 . 1 . . . . 21 PRO HG3 . 16270 1 249 . 1 1 21 21 PRO C C 13 180.26 0.00 . 1 . . . . 21 PRO C . 16270 1 250 . 1 1 21 21 PRO CA C 13 66.37 0.00 . 1 . . . . 21 PRO CA . 16270 1 251 . 1 1 21 21 PRO CB C 13 32.34 0.00 . 1 . . . . 21 PRO CB . 16270 1 252 . 1 1 21 21 PRO CD C 13 51.20 0.00 . 1 . . . . 21 PRO CD . 16270 1 253 . 1 1 21 21 PRO CG C 13 27.52 0.00 . 1 . . . . 21 PRO CG . 16270 1 254 . 1 1 22 22 ASP H H 1 9.80 0.00 . 1 . . . . 22 ASP H . 16270 1 255 . 1 1 22 22 ASP HA H 1 4.43 0.00 . 1 . . . . 22 ASP HA . 16270 1 256 . 1 1 22 22 ASP HB2 H 1 2.74 0.00 . 1 . . . . 22 ASP HB2 . 16270 1 257 . 1 1 22 22 ASP HB3 H 1 2.42 0.00 . 1 . . . . 22 ASP HB3 . 16270 1 258 . 1 1 22 22 ASP C C 13 175.92 0.00 . 1 . . . . 22 ASP C . 16270 1 259 . 1 1 22 22 ASP CA C 13 57.17 0.00 . 1 . . . . 22 ASP CA . 16270 1 260 . 1 1 22 22 ASP CB C 13 40.36 0.00 . 1 . . . . 22 ASP CB . 16270 1 261 . 1 1 22 22 ASP N N 15 118.59 0.00 . 1 . . . . 22 ASP N . 16270 1 262 . 1 1 23 23 ALA H H 1 7.51 0.00 . 1 . . . . 23 ALA H . 16270 1 263 . 1 1 23 23 ALA HA H 1 4.51 0.00 . 1 . . . . 23 ALA HA . 16270 1 264 . 1 1 23 23 ALA HB1 H 1 1.15 0.00 . 1 . . . . 23 ALA HB . 16270 1 265 . 1 1 23 23 ALA HB2 H 1 1.15 0.00 . 1 . . . . 23 ALA HB . 16270 1 266 . 1 1 23 23 ALA HB3 H 1 1.15 0.00 . 1 . . . . 23 ALA HB . 16270 1 267 . 1 1 23 23 ALA C C 13 175.85 0.00 . 1 . . . . 23 ALA C . 16270 1 268 . 1 1 23 23 ALA CA C 13 50.43 0.00 . 1 . . . . 23 ALA CA . 16270 1 269 . 1 1 23 23 ALA CB C 13 22.23 0.00 . 1 . . . . 23 ALA CB . 16270 1 270 . 1 1 23 23 ALA N N 15 117.74 0.00 . 1 . . . . 23 ALA N . 16270 1 271 . 1 1 24 24 ASP H H 1 8.12 0.00 . 1 . . . . 24 ASP H . 16270 1 272 . 1 1 24 24 ASP HA H 1 4.31 0.00 . 1 . . . . 24 ASP HA . 16270 1 273 . 1 1 24 24 ASP HB2 H 1 2.54 0.00 . 1 . . . . 24 ASP HB2 . 16270 1 274 . 1 1 24 24 ASP HB3 H 1 3.06 0.00 . 1 . . . . 24 ASP HB3 . 16270 1 275 . 1 1 24 24 ASP C C 13 174.61 0.00 . 1 . . . . 24 ASP C . 16270 1 276 . 1 1 24 24 ASP CA C 13 55.86 0.00 . 1 . . . . 24 ASP CA . 16270 1 277 . 1 1 24 24 ASP CB C 13 40.23 0.00 . 1 . . . . 24 ASP CB . 16270 1 278 . 1 1 24 24 ASP N N 15 119.45 0.00 . 1 . . . . 24 ASP N . 16270 1 279 . 1 1 25 25 ILE H H 1 7.07 0.00 . 1 . . . . 25 ILE H . 16270 1 280 . 1 1 25 25 ILE HA H 1 4.41 0.00 . 1 . . . . 25 ILE HA . 16270 1 281 . 1 1 25 25 ILE HB H 1 1.42 0.00 . 1 . . . . 25 ILE HB . 16270 1 282 . 1 1 25 25 ILE HD11 H 1 0.67 0.00 . 1 . . . . 25 ILE HD1 . 16270 1 283 . 1 1 25 25 ILE HD12 H 1 0.67 0.00 . 1 . . . . 25 ILE HD1 . 16270 1 284 . 1 1 25 25 ILE HD13 H 1 0.67 0.00 . 1 . . . . 25 ILE HD1 . 16270 1 285 . 1 1 25 25 ILE HG12 H 1 1.71 0.00 . 1 . . . . 25 ILE HG12 . 16270 1 286 . 1 1 25 25 ILE HG13 H 1 1.27 0.00 . 1 . . . . 25 ILE HG13 . 16270 1 287 . 1 1 25 25 ILE HG21 H 1 0.91 0.00 . 1 . . . . 25 ILE HG2 . 16270 1 288 . 1 1 25 25 ILE HG22 H 1 0.91 0.00 . 1 . . . . 25 ILE HG2 . 16270 1 289 . 1 1 25 25 ILE HG23 H 1 0.91 0.00 . 1 . . . . 25 ILE HG2 . 16270 1 290 . 1 1 25 25 ILE C C 13 176.54 0.00 . 1 . . . . 25 ILE C . 16270 1 291 . 1 1 25 25 ILE CA C 13 61.22 0.00 . 1 . . . . 25 ILE CA . 16270 1 292 . 1 1 25 25 ILE CB C 13 41.10 0.00 . 1 . . . . 25 ILE CB . 16270 1 293 . 1 1 25 25 ILE CD1 C 13 15.63 0.00 . 1 . . . . 25 ILE CD1 . 16270 1 294 . 1 1 25 25 ILE CG1 C 13 28.40 0.00 . 1 . . . . 25 ILE CG1 . 16270 1 295 . 1 1 25 25 ILE CG2 C 13 16.94 0.00 . 1 . . . . 25 ILE CG2 . 16270 1 296 . 1 1 25 25 ILE N N 15 116.63 0.00 . 1 . . . . 25 ILE N . 16270 1 297 . 1 1 26 26 LYS H H 1 9.43 0.00 . 1 . . . . 26 LYS H . 16270 1 298 . 1 1 26 26 LYS HA H 1 5.07 0.00 . 1 . . . . 26 LYS HA . 16270 1 299 . 1 1 26 26 LYS HB2 H 1 1.75 0.00 . 1 . . . . 26 LYS HB2 . 16270 1 300 . 1 1 26 26 LYS HB3 H 1 1.89 0.00 . 1 . . . . 26 LYS HB3 . 16270 1 301 . 1 1 26 26 LYS HD2 H 1 1.61 0.00 . 2 . . . . 26 LYS HD2 . 16270 1 302 . 1 1 26 26 LYS HD3 H 1 1.61 0.00 . 2 . . . . 26 LYS HD3 . 16270 1 303 . 1 1 26 26 LYS HE2 H 1 2.88 0.00 . 2 . . . . 26 LYS HE2 . 16270 1 304 . 1 1 26 26 LYS HE3 H 1 2.88 0.00 . 2 . . . . 26 LYS HE3 . 16270 1 305 . 1 1 26 26 LYS HG2 H 1 1.30 0.00 . 1 . . . . 26 LYS HG2 . 16270 1 306 . 1 1 26 26 LYS HG3 H 1 1.30 0.00 . 1 . . . . 26 LYS HG3 . 16270 1 307 . 1 1 26 26 LYS C C 13 175.01 0.00 . 1 . . . . 26 LYS C . 16270 1 308 . 1 1 26 26 LYS CA C 13 57.50 0.00 . 1 . . . . 26 LYS CA . 16270 1 309 . 1 1 26 26 LYS CB C 13 33.88 0.00 . 1 . . . . 26 LYS CB . 16270 1 310 . 1 1 26 26 LYS CD C 13 30.03 0.00 . 1 . . . . 26 LYS CD . 16270 1 311 . 1 1 26 26 LYS CE C 13 42.13 0.00 . 1 . . . . 26 LYS CE . 16270 1 312 . 1 1 26 26 LYS CG C 13 25.15 0.00 . 1 . . . . 26 LYS CG . 16270 1 313 . 1 1 26 26 LYS N N 15 134.21 0.00 . 1 . . . . 26 LYS N . 16270 1 314 . 1 1 27 27 GLU H H 1 8.93 0.00 . 1 . . . . 27 GLU H . 16270 1 315 . 1 1 27 27 GLU HA H 1 5.23 0.00 . 1 . . . . 27 GLU HA . 16270 1 316 . 1 1 27 27 GLU HB2 H 1 2.09 0.00 . 1 . . . . 27 GLU HB2 . 16270 1 317 . 1 1 27 27 GLU HB3 H 1 1.39 0.00 . 1 . . . . 27 GLU HB3 . 16270 1 318 . 1 1 27 27 GLU HG2 H 1 2.26 0.00 . 1 . . . . 27 GLU HG2 . 16270 1 319 . 1 1 27 27 GLU HG3 H 1 1.92 0.00 . 1 . . . . 27 GLU HG3 . 16270 1 320 . 1 1 27 27 GLU CA C 13 52.85 0.00 . 1 . . . . 27 GLU CA . 16270 1 321 . 1 1 27 27 GLU CB C 13 34.61 0.00 . 1 . . . . 27 GLU CB . 16270 1 322 . 1 1 27 27 GLU CG C 13 36.25 0.00 . 1 . . . . 27 GLU CG . 16270 1 323 . 1 1 27 27 GLU N N 15 124.02 0.00 . 1 . . . . 27 GLU N . 16270 1 324 . 1 1 28 28 PRO HA H 1 4.29 0.00 . 1 . . . . 28 PRO HA . 16270 1 325 . 1 1 28 28 PRO HB2 H 1 1.94 0.00 . 1 . . . . 28 PRO HB2 . 16270 1 326 . 1 1 28 28 PRO HB3 H 1 1.53 0.00 . 1 . . . . 28 PRO HB3 . 16270 1 327 . 1 1 28 28 PRO HD2 H 1 4.15 0.00 . 1 . . . . 28 PRO HD2 . 16270 1 328 . 1 1 28 28 PRO HD3 H 1 3.90 0.00 . 1 . . . . 28 PRO HD3 . 16270 1 329 . 1 1 28 28 PRO HG2 H 1 2.39 0.00 . 1 . . . . 28 PRO HG2 . 16270 1 330 . 1 1 28 28 PRO HG3 H 1 2.22 0.00 . 1 . . . . 28 PRO HG3 . 16270 1 331 . 1 1 28 28 PRO C C 13 174.59 0.00 . 1 . . . . 28 PRO C . 16270 1 332 . 1 1 28 28 PRO CA C 13 62.15 0.00 . 1 . . . . 28 PRO CA . 16270 1 333 . 1 1 28 28 PRO CB C 13 33.07 0.00 . 1 . . . . 28 PRO CB . 16270 1 334 . 1 1 28 28 PRO CD C 13 51.18 0.00 . 1 . . . . 28 PRO CD . 16270 1 335 . 1 1 28 28 PRO CG C 13 27.36 0.00 . 1 . . . . 28 PRO CG . 16270 1 336 . 1 1 29 29 VAL H H 1 8.28 0.00 . 1 . . . . 29 VAL H . 16270 1 337 . 1 1 29 29 VAL HA H 1 4.28 0.00 . 1 . . . . 29 VAL HA . 16270 1 338 . 1 1 29 29 VAL HB H 1 1.16 0.00 . 1 . . . . 29 VAL HB . 16270 1 339 . 1 1 29 29 VAL HG11 H 1 -0.06 0.00 . 1 . . . . 29 VAL HG1 . 16270 1 340 . 1 1 29 29 VAL HG12 H 1 -0.06 0.00 . 1 . . . . 29 VAL HG1 . 16270 1 341 . 1 1 29 29 VAL HG13 H 1 -0.06 0.00 . 1 . . . . 29 VAL HG1 . 16270 1 342 . 1 1 29 29 VAL HG21 H 1 0.52 0.00 . 1 . . . . 29 VAL HG2 . 16270 1 343 . 1 1 29 29 VAL HG22 H 1 0.52 0.00 . 1 . . . . 29 VAL HG2 . 16270 1 344 . 1 1 29 29 VAL HG23 H 1 0.52 0.00 . 1 . . . . 29 VAL HG2 . 16270 1 345 . 1 1 29 29 VAL C C 13 174.93 0.00 . 1 . . . . 29 VAL C . 16270 1 346 . 1 1 29 29 VAL CA C 13 60.42 0.00 . 1 . . . . 29 VAL CA . 16270 1 347 . 1 1 29 29 VAL CB C 13 33.99 0.00 . 1 . . . . 29 VAL CB . 16270 1 348 . 1 1 29 29 VAL CG1 C 13 21.60 0.00 . 1 . . . . 29 VAL CG1 . 16270 1 349 . 1 1 29 29 VAL CG2 C 13 21.66 0.00 . 1 . . . . 29 VAL CG2 . 16270 1 350 . 1 1 29 29 VAL N N 15 120.69 0.00 . 1 . . . . 29 VAL N . 16270 1 351 . 1 1 30 30 TYR H H 1 9.32 0.00 . 1 . . . . 30 TYR H . 16270 1 352 . 1 1 30 30 TYR HA H 1 4.64 0.00 . 1 . . . . 30 TYR HA . 16270 1 353 . 1 1 30 30 TYR HB2 H 1 2.93 0.00 . 1 . . . . 30 TYR HB2 . 16270 1 354 . 1 1 30 30 TYR HB3 H 1 2.81 0.00 . 1 . . . . 30 TYR HB3 . 16270 1 355 . 1 1 30 30 TYR HD1 H 1 6.84 0.00 . 3 . . . . 30 TYR HD1 . 16270 1 356 . 1 1 30 30 TYR HE1 H 1 6.55 0.00 . 3 . . . . 30 TYR HE1 . 16270 1 357 . 1 1 30 30 TYR CA C 13 57.90 0.00 . 1 . . . . 30 TYR CA . 16270 1 358 . 1 1 30 30 TYR CB C 13 38.52 0.00 . 1 . . . . 30 TYR CB . 16270 1 359 . 1 1 30 30 TYR CD1 C 13 133.19 0.00 . 3 . . . . 30 TYR CD1 . 16270 1 360 . 1 1 30 30 TYR CE1 C 13 117.66 0.00 . 3 . . . . 30 TYR CE1 . 16270 1 361 . 1 1 30 30 TYR N N 15 127.88 0.00 . 1 . . . . 30 TYR N . 16270 1 362 . 1 1 31 31 PRO HA H 1 4.50 0.00 . 1 . . . . 31 PRO HA . 16270 1 363 . 1 1 31 31 PRO HB2 H 1 2.63 0.00 . 1 . . . . 31 PRO HB2 . 16270 1 364 . 1 1 31 31 PRO HB3 H 1 1.81 0.00 . 1 . . . . 31 PRO HB3 . 16270 1 365 . 1 1 31 31 PRO HD2 H 1 4.57 0.00 . 1 . . . . 31 PRO HD2 . 16270 1 366 . 1 1 31 31 PRO HD3 H 1 3.74 0.00 . 1 . . . . 31 PRO HD3 . 16270 1 367 . 1 1 31 31 PRO HG2 H 1 1.81 0.00 . 1 . . . . 31 PRO HG2 . 16270 1 368 . 1 1 31 31 PRO HG3 H 1 2.56 0.00 . 1 . . . . 31 PRO HG3 . 16270 1 369 . 1 1 31 31 PRO C C 13 174.47 0.00 . 1 . . . . 31 PRO C . 16270 1 370 . 1 1 31 31 PRO CA C 13 64.23 0.00 . 1 . . . . 31 PRO CA . 16270 1 371 . 1 1 31 31 PRO CB C 13 34.09 0.00 . 1 . . . . 31 PRO CB . 16270 1 372 . 1 1 31 31 PRO CD C 13 52.20 0.00 . 1 . . . . 31 PRO CD . 16270 1 373 . 1 1 31 31 PRO CG C 13 30.46 0.00 . 1 . . . . 31 PRO CG . 16270 1 374 . 1 1 32 32 GLY H H 1 8.77 0.00 . 1 . . . . 32 GLY H . 16270 1 375 . 1 1 32 32 GLY HA2 H 1 4.27 0.00 . 1 . . . . 32 GLY HA2 . 16270 1 376 . 1 1 32 32 GLY HA3 H 1 3.39 0.00 . 1 . . . . 32 GLY HA3 . 16270 1 377 . 1 1 32 32 GLY C C 13 172.72 0.00 . 1 . . . . 32 GLY C . 16270 1 378 . 1 1 32 32 GLY CA C 13 44.86 0.00 . 1 . . . . 32 GLY CA . 16270 1 379 . 1 1 32 32 GLY N N 15 107.14 0.00 . 1 . . . . 32 GLY N . 16270 1 380 . 1 1 33 33 PRO HA H 1 4.21 0.00 . 1 . . . . 33 PRO HA . 16270 1 381 . 1 1 33 33 PRO HB2 H 1 2.63 0.00 . 1 . . . . 33 PRO HB2 . 16270 1 382 . 1 1 33 33 PRO HB3 H 1 2.24 0.00 . 1 . . . . 33 PRO HB3 . 16270 1 383 . 1 1 33 33 PRO HD2 H 1 3.48 0.00 . 1 . . . . 33 PRO HD2 . 16270 1 384 . 1 1 33 33 PRO HD3 H 1 3.69 0.00 . 1 . . . . 33 PRO HD3 . 16270 1 385 . 1 1 33 33 PRO HG2 H 1 2.05 0.00 . 1 . . . . 33 PRO HG2 . 16270 1 386 . 1 1 33 33 PRO HG3 H 1 1.98 0.00 . 1 . . . . 33 PRO HG3 . 16270 1 387 . 1 1 33 33 PRO C C 13 176.03 0.00 . 1 . . . . 33 PRO C . 16270 1 388 . 1 1 33 33 PRO CA C 13 61.78 0.00 . 1 . . . . 33 PRO CA . 16270 1 389 . 1 1 33 33 PRO CB C 13 35.60 0.00 . 1 . . . . 33 PRO CB . 16270 1 390 . 1 1 33 33 PRO CD C 13 50.43 0.00 . 1 . . . . 33 PRO CD . 16270 1 391 . 1 1 33 33 PRO CG C 13 24.41 0.00 . 1 . . . . 33 PRO CG . 16270 1 392 . 1 1 34 34 ALA H H 1 7.96 0.00 . 1 . . . . 34 ALA H . 16270 1 393 . 1 1 34 34 ALA HA H 1 4.40 0.00 . 1 . . . . 34 ALA HA . 16270 1 394 . 1 1 34 34 ALA HB1 H 1 1.13 0.00 . 1 . . . . 34 ALA HB . 16270 1 395 . 1 1 34 34 ALA HB2 H 1 1.13 0.00 . 1 . . . . 34 ALA HB . 16270 1 396 . 1 1 34 34 ALA HB3 H 1 1.13 0.00 . 1 . . . . 34 ALA HB . 16270 1 397 . 1 1 34 34 ALA C C 13 176.52 0.00 . 1 . . . . 34 ALA C . 16270 1 398 . 1 1 34 34 ALA CA C 13 51.57 0.00 . 1 . . . . 34 ALA CA . 16270 1 399 . 1 1 34 34 ALA CB C 13 18.45 0.00 . 1 . . . . 34 ALA CB . 16270 1 400 . 1 1 34 34 ALA N N 15 125.12 0.00 . 1 . . . . 34 ALA N . 16270 1 401 . 1 1 35 35 THR H H 1 8.06 0.00 . 1 . . . . 35 THR H . 16270 1 402 . 1 1 35 35 THR HA H 1 4.55 0.00 . 1 . . . . 35 THR HA . 16270 1 403 . 1 1 35 35 THR HB H 1 4.80 0.00 . 1 . . . . 35 THR HB . 16270 1 404 . 1 1 35 35 THR HG21 H 1 1.34 0.00 . 1 . . . . 35 THR HG2 . 16270 1 405 . 1 1 35 35 THR HG22 H 1 1.34 0.00 . 1 . . . . 35 THR HG2 . 16270 1 406 . 1 1 35 35 THR HG23 H 1 1.34 0.00 . 1 . . . . 35 THR HG2 . 16270 1 407 . 1 1 35 35 THR CA C 13 60.38 0.00 . 1 . . . . 35 THR CA . 16270 1 408 . 1 1 35 35 THR CB C 13 68.29 0.00 . 1 . . . . 35 THR CB . 16270 1 409 . 1 1 35 35 THR CG2 C 13 23.25 0.00 . 1 . . . . 35 THR CG2 . 16270 1 410 . 1 1 35 35 THR N N 15 112.34 0.00 . 1 . . . . 35 THR N . 16270 1 411 . 1 1 36 36 PRO HA H 1 4.15 0.00 . 1 . . . . 36 PRO HA . 16270 1 412 . 1 1 36 36 PRO HB2 H 1 2.46 0.00 . 1 . . . . 36 PRO HB2 . 16270 1 413 . 1 1 36 36 PRO HB3 H 1 1.94 0.00 . 1 . . . . 36 PRO HB3 . 16270 1 414 . 1 1 36 36 PRO HD3 H 1 3.93 0.00 . 1 . . . . 36 PRO HD3 . 16270 1 415 . 1 1 36 36 PRO HG2 H 1 2.10 0.00 . 1 . . . . 36 PRO HG2 . 16270 1 416 . 1 1 36 36 PRO HG3 H 1 2.28 0.00 . 1 . . . . 36 PRO HG3 . 16270 1 417 . 1 1 36 36 PRO C C 13 178.69 0.00 . 1 . . . . 36 PRO C . 16270 1 418 . 1 1 36 36 PRO CA C 13 66.58 0.00 . 1 . . . . 36 PRO CA . 16270 1 419 . 1 1 36 36 PRO CB C 13 31.91 0.00 . 1 . . . . 36 PRO CB . 16270 1 420 . 1 1 36 36 PRO CD C 13 50.43 0.00 . 1 . . . . 36 PRO CD . 16270 1 421 . 1 1 36 36 PRO CG C 13 28.40 0.00 . 1 . . . . 36 PRO CG . 16270 1 422 . 1 1 37 37 GLU H H 1 8.34 0.00 . 1 . . . . 37 GLU H . 16270 1 423 . 1 1 37 37 GLU HA H 1 3.99 0.00 . 1 . . . . 37 GLU HA . 16270 1 424 . 1 1 37 37 GLU HB2 H 1 1.90 0.00 . 1 . . . . 37 GLU HB2 . 16270 1 425 . 1 1 37 37 GLU HB3 H 1 2.04 0.00 . 1 . . . . 37 GLU HB3 . 16270 1 426 . 1 1 37 37 GLU HG2 H 1 2.34 0.00 . 1 . . . . 37 GLU HG2 . 16270 1 427 . 1 1 37 37 GLU HG3 H 1 2.23 0.00 . 1 . . . . 37 GLU HG3 . 16270 1 428 . 1 1 37 37 GLU C C 13 178.90 0.00 . 1 . . . . 37 GLU C . 16270 1 429 . 1 1 37 37 GLU CA C 13 60.30 0.00 . 1 . . . . 37 GLU CA . 16270 1 430 . 1 1 37 37 GLU CB C 13 29.27 0.00 . 1 . . . . 37 GLU CB . 16270 1 431 . 1 1 37 37 GLU CG C 13 37.24 0.00 . 1 . . . . 37 GLU CG . 16270 1 432 . 1 1 37 37 GLU N N 15 115.04 0.00 . 1 . . . . 37 GLU N . 16270 1 433 . 1 1 38 38 GLN H H 1 7.68 0.00 . 1 . . . . 38 GLN H . 16270 1 434 . 1 1 38 38 GLN HA H 1 4.42 0.00 . 1 . . . . 38 GLN HA . 16270 1 435 . 1 1 38 38 GLN HB2 H 1 2.20 0.00 . 2 . . . . 38 GLN HB2 . 16270 1 436 . 1 1 38 38 GLN HB3 H 1 2.20 0.00 . 2 . . . . 38 GLN HB3 . 16270 1 437 . 1 1 38 38 GLN HE21 H 1 8.05 0.00 . 1 . . . . 38 GLN HE22 . 16270 1 438 . 1 1 38 38 GLN HE22 H 1 7.47 0.00 . 1 . . . . 38 GLN HE23 . 16270 1 439 . 1 1 38 38 GLN HG2 H 1 2.96 0.00 . 1 . . . . 38 GLN HG2 . 16270 1 440 . 1 1 38 38 GLN HG3 H 1 2.51 0.00 . 1 . . . . 38 GLN HG3 . 16270 1 441 . 1 1 38 38 GLN C C 13 178.92 0.00 . 1 . . . . 38 GLN C . 16270 1 442 . 1 1 38 38 GLN CA C 13 58.15 0.00 . 1 . . . . 38 GLN CA . 16270 1 443 . 1 1 38 38 GLN CB C 13 29.33 0.00 . 1 . . . . 38 GLN CB . 16270 1 444 . 1 1 38 38 GLN CG C 13 32.39 0.00 . 1 . . . . 38 GLN CG . 16270 1 445 . 1 1 38 38 GLN N N 15 123.23 0.00 . 1 . . . . 38 GLN N . 16270 1 446 . 1 1 38 38 GLN NE2 N 15 113.20 0.00 . 1 . . . . 38 GLN NE2 . 16270 1 447 . 1 1 39 39 LEU H H 1 8.31 0.00 . 1 . . . . 39 LEU H . 16270 1 448 . 1 1 39 39 LEU HA H 1 4.68 0.00 . 1 . . . . 39 LEU HA . 16270 1 449 . 1 1 39 39 LEU HB2 H 1 1.47 0.00 . 1 . . . . 39 LEU HB2 . 16270 1 450 . 1 1 39 39 LEU HB3 H 1 0.95 0.00 . 1 . . . . 39 LEU HB3 . 16270 1 451 . 1 1 39 39 LEU HD11 H 1 0.24 0.00 . 1 . . . . 39 LEU HD1 . 16270 1 452 . 1 1 39 39 LEU HD12 H 1 0.24 0.00 . 1 . . . . 39 LEU HD1 . 16270 1 453 . 1 1 39 39 LEU HD13 H 1 0.24 0.00 . 1 . . . . 39 LEU HD1 . 16270 1 454 . 1 1 39 39 LEU HD21 H 1 0.54 0.00 . 1 . . . . 39 LEU HD2 . 16270 1 455 . 1 1 39 39 LEU HD22 H 1 0.54 0.00 . 1 . . . . 39 LEU HD2 . 16270 1 456 . 1 1 39 39 LEU HD23 H 1 0.54 0.00 . 1 . . . . 39 LEU HD2 . 16270 1 457 . 1 1 39 39 LEU HG H 1 1.20 0.00 . 1 . . . . 39 LEU HG . 16270 1 458 . 1 1 39 39 LEU C C 13 178.72 0.00 . 1 . . . . 39 LEU C . 16270 1 459 . 1 1 39 39 LEU CA C 13 56.25 0.00 . 1 . . . . 39 LEU CA . 16270 1 460 . 1 1 39 39 LEU CB C 13 41.62 0.00 . 1 . . . . 39 LEU CB . 16270 1 461 . 1 1 39 39 LEU CD1 C 13 27.52 0.00 . 1 . . . . 39 LEU CD1 . 16270 1 462 . 1 1 39 39 LEU CD2 C 13 23.81 0.00 . 1 . . . . 39 LEU CD2 . 16270 1 463 . 1 1 39 39 LEU CG C 13 27.36 0.00 . 1 . . . . 39 LEU CG . 16270 1 464 . 1 1 39 39 LEU N N 15 118.22 0.00 . 1 . . . . 39 LEU N . 16270 1 465 . 1 1 40 40 ASN H H 1 7.40 0.00 . 1 . . . . 40 ASN H . 16270 1 466 . 1 1 40 40 ASN HA H 1 4.58 0.00 . 1 . . . . 40 ASN HA . 16270 1 467 . 1 1 40 40 ASN HB2 H 1 2.80 0.00 . 1 . . . . 40 ASN HB2 . 16270 1 468 . 1 1 40 40 ASN HB3 H 1 2.91 0.00 . 1 . . . . 40 ASN HB3 . 16270 1 469 . 1 1 40 40 ASN HD21 H 1 6.89 0.00 . 1 . . . . 40 ASN HD22 . 16270 1 470 . 1 1 40 40 ASN HD22 H 1 7.61 0.00 . 1 . . . . 40 ASN HD23 . 16270 1 471 . 1 1 40 40 ASN C C 13 177.68 0.00 . 1 . . . . 40 ASN C . 16270 1 472 . 1 1 40 40 ASN CA C 13 54.99 0.00 . 1 . . . . 40 ASN CA . 16270 1 473 . 1 1 40 40 ASN CB C 13 38.53 0.00 . 1 . . . . 40 ASN CB . 16270 1 474 . 1 1 40 40 ASN N N 15 115.78 0.00 . 1 . . . . 40 ASN N . 16270 1 475 . 1 1 40 40 ASN ND2 N 15 112.94 0.00 . 1 . . . . 40 ASN ND2 . 16270 1 476 . 1 1 41 41 ARG H H 1 7.80 0.00 . 1 . . . . 41 ARG H . 16270 1 477 . 1 1 41 41 ARG HA H 1 3.92 0.00 . 1 . . . . 41 ARG HA . 16270 1 478 . 1 1 41 41 ARG HB2 H 1 1.44 0.00 . 1 . . . . 41 ARG HB2 . 16270 1 479 . 1 1 41 41 ARG HB3 H 1 0.88 0.00 . 1 . . . . 41 ARG HB3 . 16270 1 480 . 1 1 41 41 ARG HD2 H 1 2.75 0.00 . 1 . . . . 41 ARG HD2 . 16270 1 481 . 1 1 41 41 ARG HD3 H 1 2.59 0.00 . 1 . . . . 41 ARG HD3 . 16270 1 482 . 1 1 41 41 ARG HE H 1 7.14 0.00 . 1 . . . . 41 ARG HE . 16270 1 483 . 1 1 41 41 ARG HG2 H 1 1.31 0.00 . 1 . . . . 41 ARG HG2 . 16270 1 484 . 1 1 41 41 ARG HG3 H 1 0.82 0.00 . 1 . . . . 41 ARG HG3 . 16270 1 485 . 1 1 41 41 ARG C C 13 176.82 0.00 . 1 . . . . 41 ARG C . 16270 1 486 . 1 1 41 41 ARG CA C 13 58.48 0.00 . 1 . . . . 41 ARG CA . 16270 1 487 . 1 1 41 41 ARG CB C 13 29.65 0.00 . 1 . . . . 41 ARG CB . 16270 1 488 . 1 1 41 41 ARG CD C 13 44.29 0.00 . 1 . . . . 41 ARG CD . 16270 1 489 . 1 1 41 41 ARG CG C 13 27.41 0.00 . 1 . . . . 41 ARG CG . 16270 1 490 . 1 1 41 41 ARG N N 15 121.49 0.00 . 1 . . . . 41 ARG N . 16270 1 491 . 1 1 41 41 ARG NE N 15 119.85 0.00 . 1 . . . . 41 ARG NE . 16270 1 492 . 1 1 42 42 GLY H H 1 7.65 0.00 . 1 . . . . 42 GLY H . 16270 1 493 . 1 1 42 42 GLY HA2 H 1 4.12 0.00 . 1 . . . . 42 GLY HA2 . 16270 1 494 . 1 1 42 42 GLY HA3 H 1 3.86 0.00 . 1 . . . . 42 GLY HA3 . 16270 1 495 . 1 1 42 42 GLY C C 13 171.23 0.00 . 1 . . . . 42 GLY C . 16270 1 496 . 1 1 42 42 GLY CA C 13 46.77 0.00 . 1 . . . . 42 GLY CA . 16270 1 497 . 1 1 42 42 GLY N N 15 106.01 0.00 . 1 . . . . 42 GLY N . 16270 1 498 . 1 1 43 43 VAL H H 1 8.43 0.00 . 1 . . . . 43 VAL H . 16270 1 499 . 1 1 43 43 VAL HA H 1 3.61 0.00 . 1 . . . . 43 VAL HA . 16270 1 500 . 1 1 43 43 VAL HB H 1 1.85 0.00 . 1 . . . . 43 VAL HB . 16270 1 501 . 1 1 43 43 VAL HG11 H 1 0.34 0.00 . 1 . . . . 43 VAL HG1 . 16270 1 502 . 1 1 43 43 VAL HG12 H 1 0.34 0.00 . 1 . . . . 43 VAL HG1 . 16270 1 503 . 1 1 43 43 VAL HG13 H 1 0.34 0.00 . 1 . . . . 43 VAL HG1 . 16270 1 504 . 1 1 43 43 VAL HG21 H 1 0.15 0.00 . 1 . . . . 43 VAL HG2 . 16270 1 505 . 1 1 43 43 VAL HG22 H 1 0.15 0.00 . 1 . . . . 43 VAL HG2 . 16270 1 506 . 1 1 43 43 VAL HG23 H 1 0.15 0.00 . 1 . . . . 43 VAL HG2 . 16270 1 507 . 1 1 43 43 VAL C C 13 175.31 0.00 . 1 . . . . 43 VAL C . 16270 1 508 . 1 1 43 43 VAL CA C 13 63.95 0.00 . 1 . . . . 43 VAL CA . 16270 1 509 . 1 1 43 43 VAL CB C 13 30.64 0.00 . 1 . . . . 43 VAL CB . 16270 1 510 . 1 1 43 43 VAL CG1 C 13 21.43 0.00 . 1 . . . . 43 VAL CG1 . 16270 1 511 . 1 1 43 43 VAL CG2 C 13 22.72 0.00 . 1 . . . . 43 VAL CG2 . 16270 1 512 . 1 1 43 43 VAL N N 15 117.66 0.00 . 1 . . . . 43 VAL N . 16270 1 513 . 1 1 44 44 SER H H 1 7.88 0.00 . 1 . . . . 44 SER H . 16270 1 514 . 1 1 44 44 SER HA H 1 5.49 0.00 . 1 . . . . 44 SER HA . 16270 1 515 . 1 1 44 44 SER HB2 H 1 3.61 0.00 . 1 . . . . 44 SER HB2 . 16270 1 516 . 1 1 44 44 SER HB3 H 1 3.12 0.00 . 1 . . . . 44 SER HB3 . 16270 1 517 . 1 1 44 44 SER C C 13 173.83 0.00 . 1 . . . . 44 SER C . 16270 1 518 . 1 1 44 44 SER CA C 13 57.99 0.00 . 1 . . . . 44 SER CA . 16270 1 519 . 1 1 44 44 SER CB C 13 68.70 0.00 . 1 . . . . 44 SER CB . 16270 1 520 . 1 1 44 44 SER N N 15 117.61 0.00 . 1 . . . . 44 SER N . 16270 1 521 . 1 1 45 45 PHE H H 1 7.77 0.00 . 1 . . . . 45 PHE H . 16270 1 522 . 1 1 45 45 PHE HA H 1 4.86 0.00 . 1 . . . . 45 PHE HA . 16270 1 523 . 1 1 45 45 PHE HB2 H 1 3.28 0.00 . 1 . . . . 45 PHE HB2 . 16270 1 524 . 1 1 45 45 PHE HB3 H 1 2.89 0.00 . 1 . . . . 45 PHE HB3 . 16270 1 525 . 1 1 45 45 PHE HD1 H 1 7.36 0.00 . 3 . . . . 45 PHE HD1 . 16270 1 526 . 1 1 45 45 PHE HE1 H 1 6.86 0.00 . 3 . . . . 45 PHE HE1 . 16270 1 527 . 1 1 45 45 PHE C C 13 175.38 0.00 . 1 . . . . 45 PHE C . 16270 1 528 . 1 1 45 45 PHE CA C 13 59.35 0.00 . 1 . . . . 45 PHE CA . 16270 1 529 . 1 1 45 45 PHE CB C 13 38.76 0.00 . 1 . . . . 45 PHE CB . 16270 1 530 . 1 1 45 45 PHE CD1 C 13 132.64 0.00 . 3 . . . . 45 PHE CD1 . 16270 1 531 . 1 1 45 45 PHE CE1 C 13 130.35 0.00 . 3 . . . . 45 PHE CE1 . 16270 1 532 . 1 1 45 45 PHE N N 15 120.97 0.00 . 1 . . . . 45 PHE N . 16270 1 533 . 1 1 46 46 ALA H H 1 7.99 0.00 . 1 . . . . 46 ALA H . 16270 1 534 . 1 1 46 46 ALA HA H 1 3.90 0.00 . 1 . . . . 46 ALA HA . 16270 1 535 . 1 1 46 46 ALA HB1 H 1 1.24 0.00 . 1 . . . . 46 ALA HB . 16270 1 536 . 1 1 46 46 ALA HB2 H 1 1.24 0.00 . 1 . . . . 46 ALA HB . 16270 1 537 . 1 1 46 46 ALA HB3 H 1 1.24 0.00 . 1 . . . . 46 ALA HB . 16270 1 538 . 1 1 46 46 ALA C C 13 179.96 0.00 . 1 . . . . 46 ALA C . 16270 1 539 . 1 1 46 46 ALA CA C 13 55.98 0.00 . 1 . . . . 46 ALA CA . 16270 1 540 . 1 1 46 46 ALA CB C 13 19.15 0.00 . 1 . . . . 46 ALA CB . 16270 1 541 . 1 1 46 46 ALA N N 15 120.60 0.00 . 1 . . . . 46 ALA N . 16270 1 542 . 1 1 47 47 GLU H H 1 8.94 0.00 . 1 . . . . 47 GLU H . 16270 1 543 . 1 1 47 47 GLU HA H 1 4.85 0.00 . 1 . . . . 47 GLU HA . 16270 1 544 . 1 1 47 47 GLU HB2 H 1 2.40 0.00 . 1 . . . . 47 GLU HB2 . 16270 1 545 . 1 1 47 47 GLU HB3 H 1 1.92 0.00 . 1 . . . . 47 GLU HB3 . 16270 1 546 . 1 1 47 47 GLU HG2 H 1 2.31 0.00 . 1 . . . . 47 GLU HG2 . 16270 1 547 . 1 1 47 47 GLU HG3 H 1 2.15 0.00 . 1 . . . . 47 GLU HG3 . 16270 1 548 . 1 1 47 47 GLU C C 13 176.61 0.00 . 1 . . . . 47 GLU C . 16270 1 549 . 1 1 47 47 GLU CA C 13 54.98 0.00 . 1 . . . . 47 GLU CA . 16270 1 550 . 1 1 47 47 GLU CB C 13 34.75 0.00 . 1 . . . . 47 GLU CB . 16270 1 551 . 1 1 47 47 GLU CG C 13 38.24 0.00 . 1 . . . . 47 GLU CG . 16270 1 552 . 1 1 47 47 GLU N N 15 112.38 0.00 . 1 . . . . 47 GLU N . 16270 1 553 . 1 1 48 48 GLU H H 1 9.21 0.00 . 1 . . . . 48 GLU H . 16270 1 554 . 1 1 48 48 GLU HA H 1 3.61 0.00 . 1 . . . . 48 GLU HA . 16270 1 555 . 1 1 48 48 GLU HB2 H 1 2.00 0.00 . 1 . . . . 48 GLU HB2 . 16270 1 556 . 1 1 48 48 GLU HB3 H 1 1.92 0.00 . 1 . . . . 48 GLU HB3 . 16270 1 557 . 1 1 48 48 GLU HG2 H 1 2.30 0.00 . 1 . . . . 48 GLU HG2 . 16270 1 558 . 1 1 48 48 GLU HG3 H 1 2.17 0.00 . 1 . . . . 48 GLU HG3 . 16270 1 559 . 1 1 48 48 GLU C C 13 176.26 0.00 . 1 . . . . 48 GLU C . 16270 1 560 . 1 1 48 48 GLU CA C 13 59.05 0.00 . 1 . . . . 48 GLU CA . 16270 1 561 . 1 1 48 48 GLU CB C 13 30.49 0.00 . 1 . . . . 48 GLU CB . 16270 1 562 . 1 1 48 48 GLU CG C 13 36.05 0.00 . 1 . . . . 48 GLU CG . 16270 1 563 . 1 1 48 48 GLU N N 15 123.11 0.00 . 1 . . . . 48 GLU N . 16270 1 564 . 1 1 49 49 ASN H H 1 8.22 0.00 . 1 . . . . 49 ASN H . 16270 1 565 . 1 1 49 49 ASN HA H 1 4.79 0.00 . 1 . . . . 49 ASN HA . 16270 1 566 . 1 1 49 49 ASN HB2 H 1 2.84 0.00 . 2 . . . . 49 ASN HB1|HB2 . 16270 1 567 . 1 1 49 49 ASN HD21 H 1 7.51 0.00 . 1 . . . . 49 ASN HD22 . 16270 1 568 . 1 1 49 49 ASN HD22 H 1 6.86 0.00 . 1 . . . . 49 ASN HD23 . 16270 1 569 . 1 1 49 49 ASN C C 13 174.53 0.00 . 1 . . . . 49 ASN C . 16270 1 570 . 1 1 49 49 ASN CA C 13 52.75 0.00 . 1 . . . . 49 ASN CA . 16270 1 571 . 1 1 49 49 ASN CB C 13 37.40 0.00 . 1 . . . . 49 ASN CB . 16270 1 572 . 1 1 49 49 ASN N N 15 114.04 0.00 . 1 . . . . 49 ASN N . 16270 1 573 . 1 1 49 49 ASN ND2 N 15 112.48 0.00 . 1 . . . . 49 ASN ND2 . 16270 1 574 . 1 1 50 50 GLU H H 1 6.59 0.00 . 1 . . . . 50 GLU H . 16270 1 575 . 1 1 50 50 GLU HA H 1 4.23 0.00 . 1 . . . . 50 GLU HA . 16270 1 576 . 1 1 50 50 GLU HB2 H 1 1.45 0.00 . 1 . . . . 50 GLU HB2 . 16270 1 577 . 1 1 50 50 GLU HB3 H 1 2.31 0.00 . 1 . . . . 50 GLU HB3 . 16270 1 578 . 1 1 50 50 GLU HG2 H 1 2.16 0.00 . 1 . . . . 50 GLU HG2 . 16270 1 579 . 1 1 50 50 GLU HG3 H 1 1.65 0.00 . 1 . . . . 50 GLU HG3 . 16270 1 580 . 1 1 50 50 GLU C C 13 173.65 0.00 . 1 . . . . 50 GLU C . 16270 1 581 . 1 1 50 50 GLU CA C 13 55.91 0.00 . 1 . . . . 50 GLU CA . 16270 1 582 . 1 1 50 50 GLU CB C 13 29.71 0.00 . 1 . . . . 50 GLU CB . 16270 1 583 . 1 1 50 50 GLU CG C 13 36.74 0.00 . 1 . . . . 50 GLU CG . 16270 1 584 . 1 1 50 50 GLU N N 15 120.69 0.00 . 1 . . . . 50 GLU N . 16270 1 585 . 1 1 51 51 SER H H 1 9.60 0.00 . 1 . . . . 51 SER H . 16270 1 586 . 1 1 51 51 SER HA H 1 4.71 0.00 . 1 . . . . 51 SER HA . 16270 1 587 . 1 1 51 51 SER HB2 H 1 3.79 0.00 . 1 . . . . 51 SER HB2 . 16270 1 588 . 1 1 51 51 SER HB3 H 1 3.63 0.00 . 1 . . . . 51 SER HB3 . 16270 1 589 . 1 1 51 51 SER C C 13 174.92 0.00 . 1 . . . . 51 SER C . 16270 1 590 . 1 1 51 51 SER CA C 13 55.98 0.00 . 1 . . . . 51 SER CA . 16270 1 591 . 1 1 51 51 SER CB C 13 65.99 0.00 . 1 . . . . 51 SER CB . 16270 1 592 . 1 1 51 51 SER N N 15 120.55 0.00 . 1 . . . . 51 SER N . 16270 1 593 . 1 1 52 52 LEU H H 1 8.75 0.00 . 1 . . . . 52 LEU H . 16270 1 594 . 1 1 52 52 LEU HA H 1 4.29 0.00 . 1 . . . . 52 LEU HA . 16270 1 595 . 1 1 52 52 LEU HB2 H 1 1.83 0.00 . 1 . . . . 52 LEU HB2 . 16270 1 596 . 1 1 52 52 LEU HB3 H 1 1.51 0.00 . 1 . . . . 52 LEU HB3 . 16270 1 597 . 1 1 52 52 LEU HD11 H 1 0.82 0.00 . 1 . . . . 52 LEU HD1 . 16270 1 598 . 1 1 52 52 LEU HD12 H 1 0.82 0.00 . 1 . . . . 52 LEU HD1 . 16270 1 599 . 1 1 52 52 LEU HD13 H 1 0.82 0.00 . 1 . . . . 52 LEU HD1 . 16270 1 600 . 1 1 52 52 LEU HD21 H 1 0.71 0.00 . 1 . . . . 52 LEU HD2 . 16270 1 601 . 1 1 52 52 LEU HD22 H 1 0.71 0.00 . 1 . . . . 52 LEU HD2 . 16270 1 602 . 1 1 52 52 LEU HD23 H 1 0.71 0.00 . 1 . . . . 52 LEU HD2 . 16270 1 603 . 1 1 52 52 LEU HG H 1 1.67 0.00 . 1 . . . . 52 LEU HG . 16270 1 604 . 1 1 52 52 LEU C C 13 177.18 0.00 . 1 . . . . 52 LEU C . 16270 1 605 . 1 1 52 52 LEU CA C 13 56.16 0.00 . 1 . . . . 52 LEU CA . 16270 1 606 . 1 1 52 52 LEU CB C 13 40.31 0.00 . 1 . . . . 52 LEU CB . 16270 1 607 . 1 1 52 52 LEU CD1 C 13 23.06 0.00 . 1 . . . . 52 LEU CD1 . 16270 1 608 . 1 1 52 52 LEU CD2 C 13 26.09 0.00 . 1 . . . . 52 LEU CD2 . 16270 1 609 . 1 1 52 52 LEU CG C 13 27.36 0.00 . 1 . . . . 52 LEU CG . 16270 1 610 . 1 1 52 52 LEU N N 15 123.82 0.00 . 1 . . . . 52 LEU N . 16270 1 611 . 1 1 53 53 ASP H H 1 8.27 0.00 . 1 . . . . 53 ASP H . 16270 1 612 . 1 1 53 53 ASP HA H 1 4.84 0.00 . 1 . . . . 53 ASP HA . 16270 1 613 . 1 1 53 53 ASP HB2 H 1 2.83 0.00 . 1 . . . . 53 ASP HB2 . 16270 1 614 . 1 1 53 53 ASP HB3 H 1 2.44 0.00 . 1 . . . . 53 ASP HB3 . 16270 1 615 . 1 1 53 53 ASP C C 13 176.01 0.00 . 1 . . . . 53 ASP C . 16270 1 616 . 1 1 53 53 ASP CA C 13 54.74 0.00 . 1 . . . . 53 ASP CA . 16270 1 617 . 1 1 53 53 ASP CB C 13 42.34 0.00 . 1 . . . . 53 ASP CB . 16270 1 618 . 1 1 53 53 ASP N N 15 119.30 0.00 . 1 . . . . 53 ASP N . 16270 1 619 . 1 1 54 54 ASP H H 1 7.34 0.00 . 1 . . . . 54 ASP H . 16270 1 620 . 1 1 54 54 ASP HA H 1 4.36 0.00 . 1 . . . . 54 ASP HA . 16270 1 621 . 1 1 54 54 ASP HB2 H 1 3.01 0.00 . 1 . . . . 54 ASP HB2 . 16270 1 622 . 1 1 54 54 ASP HB3 H 1 2.86 0.00 . 1 . . . . 54 ASP HB3 . 16270 1 623 . 1 1 54 54 ASP C C 13 176.67 0.00 . 1 . . . . 54 ASP C . 16270 1 624 . 1 1 54 54 ASP CA C 13 55.62 0.00 . 1 . . . . 54 ASP CA . 16270 1 625 . 1 1 54 54 ASP CB C 13 40.66 0.00 . 1 . . . . 54 ASP CB . 16270 1 626 . 1 1 54 54 ASP N N 15 123.20 0.00 . 1 . . . . 54 ASP N . 16270 1 627 . 1 1 55 55 GLN H H 1 11.32 0.00 . 1 . . . . 55 GLN H . 16270 1 628 . 1 1 55 55 GLN HA H 1 3.99 0.00 . 1 . . . . 55 GLN HA . 16270 1 629 . 1 1 55 55 GLN HB2 H 1 2.28 0.00 . 1 . . . . 55 GLN HB2 . 16270 1 630 . 1 1 55 55 GLN HB3 H 1 1.95 0.00 . 1 . . . . 55 GLN HB3 . 16270 1 631 . 1 1 55 55 GLN HE21 H 1 7.39 0.00 . 1 . . . . 55 GLN HE22 . 16270 1 632 . 1 1 55 55 GLN HE22 H 1 6.05 0.00 . 1 . . . . 55 GLN HE23 . 16270 1 633 . 1 1 55 55 GLN HG2 H 1 2.61 0.00 . 1 . . . . 55 GLN HG2 . 16270 1 634 . 1 1 55 55 GLN HG3 H 1 2.16 0.00 . 1 . . . . 55 GLN HG3 . 16270 1 635 . 1 1 55 55 GLN C C 13 175.28 0.00 . 1 . . . . 55 GLN C . 16270 1 636 . 1 1 55 55 GLN CA C 13 60.14 0.00 . 1 . . . . 55 GLN CA . 16270 1 637 . 1 1 55 55 GLN CB C 13 26.29 0.00 . 1 . . . . 55 GLN CB . 16270 1 638 . 1 1 55 55 GLN CG C 13 34.34 0.00 . 1 . . . . 55 GLN CG . 16270 1 639 . 1 1 55 55 GLN N N 15 126.27 0.00 . 1 . . . . 55 GLN N . 16270 1 640 . 1 1 55 55 GLN NE2 N 15 109.93 0.00 . 1 . . . . 55 GLN NE2 . 16270 1 641 . 1 1 56 56 ASN H H 1 9.33 0.00 . 1 . . . . 56 ASN H . 16270 1 642 . 1 1 56 56 ASN HA H 1 5.04 0.00 . 1 . . . . 56 ASN HA . 16270 1 643 . 1 1 56 56 ASN HB2 H 1 2.90 0.00 . 1 . . . . 56 ASN HB2 . 16270 1 644 . 1 1 56 56 ASN HB3 H 1 2.83 0.00 . 1 . . . . 56 ASN HB3 . 16270 1 645 . 1 1 56 56 ASN HD21 H 1 6.83 0.00 . 1 . . . . 56 ASN HD22 . 16270 1 646 . 1 1 56 56 ASN HD22 H 1 6.27 0.00 . 1 . . . . 56 ASN HD23 . 16270 1 647 . 1 1 56 56 ASN C C 13 175.06 0.00 . 1 . . . . 56 ASN C . 16270 1 648 . 1 1 56 56 ASN CA C 13 51.24 0.00 . 1 . . . . 56 ASN CA . 16270 1 649 . 1 1 56 56 ASN CB C 13 38.30 0.00 . 1 . . . . 56 ASN CB . 16270 1 650 . 1 1 56 56 ASN N N 15 115.26 0.00 . 1 . . . . 56 ASN N . 16270 1 651 . 1 1 56 56 ASN ND2 N 15 107.24 0.00 . 1 . . . . 56 ASN ND2 . 16270 1 652 . 1 1 57 57 ILE H H 1 8.24 0.00 . 1 . . . . 57 ILE H . 16270 1 653 . 1 1 57 57 ILE HA H 1 4.24 0.00 . 1 . . . . 57 ILE HA . 16270 1 654 . 1 1 57 57 ILE HB H 1 1.71 0.00 . 1 . . . . 57 ILE HB . 16270 1 655 . 1 1 57 57 ILE HD11 H 1 0.95 0.00 . 1 . . . . 57 ILE HD1 . 16270 1 656 . 1 1 57 57 ILE HD12 H 1 0.95 0.00 . 1 . . . . 57 ILE HD1 . 16270 1 657 . 1 1 57 57 ILE HD13 H 1 0.95 0.00 . 1 . . . . 57 ILE HD1 . 16270 1 658 . 1 1 57 57 ILE HG12 H 1 1.63 0.00 . 1 . . . . 57 ILE HG12 . 16270 1 659 . 1 1 57 57 ILE HG21 H 1 0.70 0.00 . 1 . . . . 57 ILE HG2 . 16270 1 660 . 1 1 57 57 ILE HG22 H 1 0.70 0.00 . 1 . . . . 57 ILE HG2 . 16270 1 661 . 1 1 57 57 ILE HG23 H 1 0.70 0.00 . 1 . . . . 57 ILE HG2 . 16270 1 662 . 1 1 57 57 ILE C C 13 174.36 0.00 . 1 . . . . 57 ILE C . 16270 1 663 . 1 1 57 57 ILE CA C 13 61.35 0.00 . 1 . . . . 57 ILE CA . 16270 1 664 . 1 1 57 57 ILE CB C 13 39.23 0.00 . 1 . . . . 57 ILE CB . 16270 1 665 . 1 1 57 57 ILE CD1 C 13 15.22 0.00 . 1 . . . . 57 ILE CD1 . 16270 1 666 . 1 1 57 57 ILE CG1 C 13 27.89 0.00 . 1 . . . . 57 ILE CG1 . 16270 1 667 . 1 1 57 57 ILE CG2 C 13 18.03 0.00 . 1 . . . . 57 ILE CG2 . 16270 1 668 . 1 1 57 57 ILE N N 15 133.64 0.00 . 1 . . . . 57 ILE N . 16270 1 669 . 1 1 58 58 SER H H 1 8.43 0.00 . 1 . . . . 58 SER H . 16270 1 670 . 1 1 58 58 SER HA H 1 5.80 0.00 . 1 . . . . 58 SER HA . 16270 1 671 . 1 1 58 58 SER HB2 H 1 3.31 0.00 . 1 . . . . 58 SER HB2 . 16270 1 672 . 1 1 58 58 SER HB3 H 1 4.05 0.00 . 1 . . . . 58 SER HB3 . 16270 1 673 . 1 1 58 58 SER C C 13 174.82 0.00 . 1 . . . . 58 SER C . 16270 1 674 . 1 1 58 58 SER CA C 13 58.25 0.00 . 1 . . . . 58 SER CA . 16270 1 675 . 1 1 58 58 SER CB C 13 64.78 0.00 . 1 . . . . 58 SER CB . 16270 1 676 . 1 1 58 58 SER N N 15 123.92 0.00 . 1 . . . . 58 SER N . 16270 1 677 . 1 1 59 59 ILE H H 1 9.36 0.00 . 1 . . . . 59 ILE H . 16270 1 678 . 1 1 59 59 ILE HA H 1 4.33 0.00 . 1 . . . . 59 ILE HA . 16270 1 679 . 1 1 59 59 ILE HB H 1 1.42 0.00 . 1 . . . . 59 ILE HB . 16270 1 680 . 1 1 59 59 ILE HD11 H 1 0.20 0.00 . 1 . . . . 59 ILE HD1 . 16270 1 681 . 1 1 59 59 ILE HD12 H 1 0.20 0.00 . 1 . . . . 59 ILE HD1 . 16270 1 682 . 1 1 59 59 ILE HD13 H 1 0.20 0.00 . 1 . . . . 59 ILE HD1 . 16270 1 683 . 1 1 59 59 ILE HG12 H 1 1.38 0.00 . 1 . . . . 59 ILE HG12 . 16270 1 684 . 1 1 59 59 ILE HG13 H 1 0.48 0.00 . 1 . . . . 59 ILE HG13 . 16270 1 685 . 1 1 59 59 ILE HG21 H 1 0.47 0.00 . 1 . . . . 59 ILE HG2 . 16270 1 686 . 1 1 59 59 ILE HG22 H 1 0.47 0.00 . 1 . . . . 59 ILE HG2 . 16270 1 687 . 1 1 59 59 ILE HG23 H 1 0.47 0.00 . 1 . . . . 59 ILE HG2 . 16270 1 688 . 1 1 59 59 ILE C C 13 172.42 0.00 . 1 . . . . 59 ILE C . 16270 1 689 . 1 1 59 59 ILE CA C 13 61.65 0.00 . 1 . . . . 59 ILE CA . 16270 1 690 . 1 1 59 59 ILE CB C 13 42.80 0.00 . 1 . . . . 59 ILE CB . 16270 1 691 . 1 1 59 59 ILE CD1 C 13 14.58 0.00 . 1 . . . . 59 ILE CD1 . 16270 1 692 . 1 1 59 59 ILE CG1 C 13 28.22 0.00 . 1 . . . . 59 ILE CG1 . 16270 1 693 . 1 1 59 59 ILE CG2 C 13 18.90 0.00 . 1 . . . . 59 ILE CG2 . 16270 1 694 . 1 1 59 59 ILE N N 15 126.81 0.00 . 1 . . . . 59 ILE N . 16270 1 695 . 1 1 60 60 ALA H H 1 9.22 0.00 . 1 . . . . 60 ALA H . 16270 1 696 . 1 1 60 60 ALA HA H 1 5.62 0.00 . 1 . . . . 60 ALA HA . 16270 1 697 . 1 1 60 60 ALA HB1 H 1 1.00 0.00 . 1 . . . . 60 ALA HB . 16270 1 698 . 1 1 60 60 ALA HB2 H 1 1.00 0.00 . 1 . . . . 60 ALA HB . 16270 1 699 . 1 1 60 60 ALA HB3 H 1 1.00 0.00 . 1 . . . . 60 ALA HB . 16270 1 700 . 1 1 60 60 ALA C C 13 174.47 0.00 . 1 . . . . 60 ALA C . 16270 1 701 . 1 1 60 60 ALA CA C 13 49.69 0.00 . 1 . . . . 60 ALA CA . 16270 1 702 . 1 1 60 60 ALA CB C 13 23.45 0.00 . 1 . . . . 60 ALA CB . 16270 1 703 . 1 1 60 60 ALA N N 15 129.36 0.00 . 1 . . . . 60 ALA N . 16270 1 704 . 1 1 61 61 GLY H H 1 7.80 0.00 . 1 . . . . 61 GLY H . 16270 1 705 . 1 1 61 61 GLY HA2 H 1 3.96 0.00 . 1 . . . . 61 GLY HA2 . 16270 1 706 . 1 1 61 61 GLY HA3 H 1 2.53 0.00 . 1 . . . . 61 GLY HA3 . 16270 1 707 . 1 1 61 61 GLY C C 13 171.77 0.00 . 1 . . . . 61 GLY C . 16270 1 708 . 1 1 61 61 GLY CA C 13 44.62 0.00 . 1 . . . . 61 GLY CA . 16270 1 709 . 1 1 61 61 GLY N N 15 102.54 0.00 . 1 . . . . 61 GLY N . 16270 1 710 . 1 1 62 62 HIS H H 1 9.29 0.00 . 1 . . . . 62 HIS H . 16270 1 711 . 1 1 62 62 HIS HA H 1 4.60 0.00 . 1 . . . . 62 HIS HA . 16270 1 712 . 1 1 62 62 HIS HB2 H 1 2.30 0.00 . 1 . . . . 62 HIS HB2 . 16270 1 713 . 1 1 62 62 HIS HB3 H 1 2.49 0.00 . 1 . . . . 62 HIS HB3 . 16270 1 714 . 1 1 62 62 HIS HE1 H 1 7.74 0.00 . 1 . . . . 62 HIS HE1 . 16270 1 715 . 1 1 62 62 HIS C C 13 175.03 0.00 . 1 . . . . 62 HIS C . 16270 1 716 . 1 1 62 62 HIS CA C 13 57.70 0.00 . 1 . . . . 62 HIS CA . 16270 1 717 . 1 1 62 62 HIS CB C 13 33.96 0.00 . 1 . . . . 62 HIS CB . 16270 1 718 . 1 1 62 62 HIS CE1 C 13 138.90 0.00 . 1 . . . . 62 HIS CE1 . 16270 1 719 . 1 1 62 62 HIS N N 15 121.38 0.00 . 1 . . . . 62 HIS N . 16270 1 720 . 1 1 63 63 THR H H 1 7.34 0.00 . 1 . . . . 63 THR H . 16270 1 721 . 1 1 63 63 THR HA H 1 4.71 0.00 . 1 . . . . 63 THR HA . 16270 1 722 . 1 1 63 63 THR HB H 1 3.76 0.00 . 1 . . . . 63 THR HB . 16270 1 723 . 1 1 63 63 THR HG21 H 1 1.23 0.00 . 1 . . . . 63 THR HG2 . 16270 1 724 . 1 1 63 63 THR HG22 H 1 1.23 0.00 . 1 . . . . 63 THR HG2 . 16270 1 725 . 1 1 63 63 THR HG23 H 1 1.23 0.00 . 1 . . . . 63 THR HG2 . 16270 1 726 . 1 1 63 63 THR C C 13 172.79 0.00 . 1 . . . . 63 THR C . 16270 1 727 . 1 1 63 63 THR CA C 13 62.50 0.00 . 1 . . . . 63 THR CA . 16270 1 728 . 1 1 63 63 THR CB C 13 71.66 0.00 . 1 . . . . 63 THR CB . 16270 1 729 . 1 1 63 63 THR CG2 C 13 21.72 0.00 . 1 . . . . 63 THR CG2 . 16270 1 730 . 1 1 63 63 THR N N 15 116.09 0.00 . 1 . . . . 63 THR N . 16270 1 731 . 1 1 64 64 PHE H H 1 8.77 0.00 . 1 . . . . 64 PHE H . 16270 1 732 . 1 1 64 64 PHE HA H 1 5.14 0.00 . 1 . . . . 64 PHE HA . 16270 1 733 . 1 1 64 64 PHE HB2 H 1 3.21 0.00 . 1 . . . . 64 PHE HB2 . 16270 1 734 . 1 1 64 64 PHE HB3 H 1 2.95 0.00 . 1 . . . . 64 PHE HB3 . 16270 1 735 . 1 1 64 64 PHE HD1 H 1 7.07 0.00 . 3 . . . . 64 PHE HD1 . 16270 1 736 . 1 1 64 64 PHE C C 13 175.96 0.00 . 1 . . . . 64 PHE C . 16270 1 737 . 1 1 64 64 PHE CA C 13 55.25 0.00 . 1 . . . . 64 PHE CA . 16270 1 738 . 1 1 64 64 PHE CB C 13 42.30 0.00 . 1 . . . . 64 PHE CB . 16270 1 739 . 1 1 64 64 PHE CD1 C 13 131.40 0.00 . 3 . . . . 64 PHE CD1 . 16270 1 740 . 1 1 64 64 PHE N N 15 126.74 0.00 . 1 . . . . 64 PHE N . 16270 1 741 . 1 1 65 65 ILE H H 1 8.78 0.00 . 1 . . . . 65 ILE H . 16270 1 742 . 1 1 65 65 ILE HA H 1 3.97 0.00 . 1 . . . . 65 ILE HA . 16270 1 743 . 1 1 65 65 ILE HB H 1 1.78 0.00 . 1 . . . . 65 ILE HB . 16270 1 744 . 1 1 65 65 ILE HD11 H 1 0.67 0.00 . 1 . . . . 65 ILE HD1 . 16270 1 745 . 1 1 65 65 ILE HD12 H 1 0.67 0.00 . 1 . . . . 65 ILE HD1 . 16270 1 746 . 1 1 65 65 ILE HD13 H 1 0.67 0.00 . 1 . . . . 65 ILE HD1 . 16270 1 747 . 1 1 65 65 ILE HG12 H 1 1.20 0.00 . 1 . . . . 65 ILE HG12 . 16270 1 748 . 1 1 65 65 ILE HG13 H 1 1.40 0.00 . 1 . . . . 65 ILE HG13 . 16270 1 749 . 1 1 65 65 ILE HG21 H 1 0.87 0.00 . 1 . . . . 65 ILE HG2 . 16270 1 750 . 1 1 65 65 ILE HG22 H 1 0.87 0.00 . 1 . . . . 65 ILE HG2 . 16270 1 751 . 1 1 65 65 ILE HG23 H 1 0.87 0.00 . 1 . . . . 65 ILE HG2 . 16270 1 752 . 1 1 65 65 ILE C C 13 176.13 0.00 . 1 . . . . 65 ILE C . 16270 1 753 . 1 1 65 65 ILE CA C 13 63.50 0.00 . 1 . . . . 65 ILE CA . 16270 1 754 . 1 1 65 65 ILE CB C 13 38.68 0.00 . 1 . . . . 65 ILE CB . 16270 1 755 . 1 1 65 65 ILE CD1 C 13 13.44 0.00 . 1 . . . . 65 ILE CD1 . 16270 1 756 . 1 1 65 65 ILE CG1 C 13 28.14 0.00 . 1 . . . . 65 ILE CG1 . 16270 1 757 . 1 1 65 65 ILE CG2 C 13 18.07 0.00 . 1 . . . . 65 ILE CG2 . 16270 1 758 . 1 1 65 65 ILE N N 15 121.06 0.00 . 1 . . . . 65 ILE N . 16270 1 759 . 1 1 66 66 ASP H H 1 8.49 0.00 . 1 . . . . 66 ASP H . 16270 1 760 . 1 1 66 66 ASP HA H 1 4.62 0.00 . 1 . . . . 66 ASP HA . 16270 1 761 . 1 1 66 66 ASP HB2 H 1 2.81 0.00 . 1 . . . . 66 ASP HB2 . 16270 1 762 . 1 1 66 66 ASP HB3 H 1 2.62 0.00 . 1 . . . . 66 ASP HB3 . 16270 1 763 . 1 1 66 66 ASP C C 13 175.73 0.00 . 1 . . . . 66 ASP C . 16270 1 764 . 1 1 66 66 ASP CA C 13 53.66 0.00 . 1 . . . . 66 ASP CA . 16270 1 765 . 1 1 66 66 ASP CB C 13 40.60 0.00 . 1 . . . . 66 ASP CB . 16270 1 766 . 1 1 66 66 ASP N N 15 117.06 0.00 . 1 . . . . 66 ASP N . 16270 1 767 . 1 1 67 67 ARG H H 1 7.47 0.00 . 1 . . . . 67 ARG H . 16270 1 768 . 1 1 67 67 ARG HA H 1 4.85 0.00 . 1 . . . . 67 ARG HA . 16270 1 769 . 1 1 67 67 ARG HB2 H 1 1.83 0.00 . 1 . . . . 67 ARG HB2 . 16270 1 770 . 1 1 67 67 ARG HB3 H 1 1.72 0.00 . 1 . . . . 67 ARG HB3 . 16270 1 771 . 1 1 67 67 ARG HD2 H 1 2.54 0.00 . 1 . . . . 67 ARG HD2 . 16270 1 772 . 1 1 67 67 ARG HD3 H 1 2.50 0.00 . 1 . . . . 67 ARG HD3 . 16270 1 773 . 1 1 67 67 ARG HG2 H 1 1.47 0.00 . 1 . . . . 67 ARG HG2 . 16270 1 774 . 1 1 67 67 ARG HG3 H 1 1.44 0.00 . 1 . . . . 67 ARG HG3 . 16270 1 775 . 1 1 67 67 ARG C C 13 172.71 0.00 . 1 . . . . 67 ARG C . 16270 1 776 . 1 1 67 67 ARG CA C 13 53.80 0.00 . 1 . . . . 67 ARG CA . 16270 1 777 . 1 1 67 67 ARG CB C 13 32.51 0.00 . 1 . . . . 67 ARG CB . 16270 1 778 . 1 1 67 67 ARG CD C 13 44.19 0.00 . 1 . . . . 67 ARG CD . 16270 1 779 . 1 1 67 67 ARG CG C 13 26.03 0.00 . 1 . . . . 67 ARG CG . 16270 1 780 . 1 1 67 67 ARG N N 15 119.20 0.00 . 1 . . . . 67 ARG N . 16270 1 781 . 1 1 68 68 PRO HA H 1 4.35 0.00 . 1 . . . . 68 PRO HA . 16270 1 782 . 1 1 68 68 PRO HB2 H 1 2.32 0.00 . 1 . . . . 68 PRO HB2 . 16270 1 783 . 1 1 68 68 PRO HB3 H 1 1.88 0.00 . 1 . . . . 68 PRO HB3 . 16270 1 784 . 1 1 68 68 PRO HD2 H 1 3.69 0.00 . 1 . . . . 68 PRO HD2 . 16270 1 785 . 1 1 68 68 PRO HD3 H 1 3.49 0.00 . 1 . . . . 68 PRO HD3 . 16270 1 786 . 1 1 68 68 PRO HG3 H 1 1.98 0.00 . 1 . . . . 68 PRO HG3 . 16270 1 787 . 1 1 68 68 PRO C C 13 176.88 0.00 . 1 . . . . 68 PRO C . 16270 1 788 . 1 1 68 68 PRO CA C 13 64.94 0.00 . 1 . . . . 68 PRO CA . 16270 1 789 . 1 1 68 68 PRO CB C 13 32.83 0.00 . 1 . . . . 68 PRO CB . 16270 1 790 . 1 1 68 68 PRO CD C 13 50.62 0.00 . 1 . . . . 68 PRO CD . 16270 1 791 . 1 1 68 68 PRO CG C 13 27.55 0.00 . 1 . . . . 68 PRO CG . 16270 1 792 . 1 1 69 69 ASN H H 1 8.44 0.00 . 1 . . . . 69 ASN H . 16270 1 793 . 1 1 69 69 ASN HA H 1 4.85 0.00 . 1 . . . . 69 ASN HA . 16270 1 794 . 1 1 69 69 ASN HB2 H 1 3.12 0.00 . 1 . . . . 69 ASN HB2 . 16270 1 795 . 1 1 69 69 ASN HB3 H 1 2.81 0.00 . 1 . . . . 69 ASN HB3 . 16270 1 796 . 1 1 69 69 ASN HD21 H 1 7.74 0.00 . 1 . . . . 69 ASN HD22 . 16270 1 797 . 1 1 69 69 ASN HD22 H 1 6.98 0.00 . 1 . . . . 69 ASN HD23 . 16270 1 798 . 1 1 69 69 ASN C C 13 174.51 0.00 . 1 . . . . 69 ASN C . 16270 1 799 . 1 1 69 69 ASN CA C 13 53.45 0.00 . 1 . . . . 69 ASN CA . 16270 1 800 . 1 1 69 69 ASN CB C 13 39.11 0.00 . 1 . . . . 69 ASN CB . 16270 1 801 . 1 1 69 69 ASN N N 15 113.47 0.00 . 1 . . . . 69 ASN N . 16270 1 802 . 1 1 69 69 ASN ND2 N 15 112.46 0.00 . 1 . . . . 69 ASN ND2 . 16270 1 803 . 1 1 70 70 TYR H H 1 7.77 0.00 . 1 . . . . 70 TYR H . 16270 1 804 . 1 1 70 70 TYR HA H 1 4.63 0.00 . 1 . . . . 70 TYR HA . 16270 1 805 . 1 1 70 70 TYR HB2 H 1 2.94 0.00 . 1 . . . . 70 TYR HB2 . 16270 1 806 . 1 1 70 70 TYR HD1 H 1 6.85 0.00 . 3 . . . . 70 TYR HD1 . 16270 1 807 . 1 1 70 70 TYR HE1 H 1 6.61 0.00 . 3 . . . . 70 TYR HE1 . 16270 1 808 . 1 1 70 70 TYR C C 13 175.38 0.00 . 1 . . . . 70 TYR C . 16270 1 809 . 1 1 70 70 TYR CA C 13 57.93 0.00 . 1 . . . . 70 TYR CA . 16270 1 810 . 1 1 70 70 TYR CB C 13 40.82 0.00 . 1 . . . . 70 TYR CB . 16270 1 811 . 1 1 70 70 TYR CD1 C 13 133.25 0.00 . 3 . . . . 70 TYR CD1 . 16270 1 812 . 1 1 70 70 TYR CE1 C 13 118.72 0.00 . 3 . . . . 70 TYR CE1 . 16270 1 813 . 1 1 70 70 TYR N N 15 120.85 0.00 . 1 . . . . 70 TYR N . 16270 1 814 . 1 1 71 71 GLN H H 1 9.34 0.00 . 1 . . . . 71 GLN H . 16270 1 815 . 1 1 71 71 GLN HA H 1 3.02 0.00 . 1 . . . . 71 GLN HA . 16270 1 816 . 1 1 71 71 GLN HB2 H 1 1.75 0.00 . 1 . . . . 71 GLN HB2 . 16270 1 817 . 1 1 71 71 GLN HB3 H 1 1.45 0.00 . 1 . . . . 71 GLN HB3 . 16270 1 818 . 1 1 71 71 GLN HE21 H 1 7.33 0.00 . 1 . . . . 71 GLN HE22 . 16270 1 819 . 1 1 71 71 GLN HE22 H 1 6.61 0.00 . 1 . . . . 71 GLN HE23 . 16270 1 820 . 1 1 71 71 GLN HG2 H 1 1.64 0.00 . 1 . . . . 71 GLN HG2 . 16270 1 821 . 1 1 71 71 GLN HG3 H 1 1.25 0.00 . 1 . . . . 71 GLN HG3 . 16270 1 822 . 1 1 71 71 GLN C C 13 175.45 0.00 . 1 . . . . 71 GLN C . 16270 1 823 . 1 1 71 71 GLN CA C 13 60.26 0.00 . 1 . . . . 71 GLN CA . 16270 1 824 . 1 1 71 71 GLN CB C 13 26.62 0.00 . 1 . . . . 71 GLN CB . 16270 1 825 . 1 1 71 71 GLN CG C 13 34.37 0.00 . 1 . . . . 71 GLN CG . 16270 1 826 . 1 1 71 71 GLN N N 15 128.25 0.00 . 1 . . . . 71 GLN N . 16270 1 827 . 1 1 71 71 GLN NE2 N 15 107.40 0.00 . 1 . . . . 71 GLN NE2 . 16270 1 828 . 1 1 72 72 PHE H H 1 8.51 0.00 . 1 . . . . 72 PHE H . 16270 1 829 . 1 1 72 72 PHE HA H 1 5.02 0.00 . 1 . . . . 72 PHE HA . 16270 1 830 . 1 1 72 72 PHE HB2 H 1 2.56 0.00 . 1 . . . . 72 PHE HB2 . 16270 1 831 . 1 1 72 72 PHE HB3 H 1 3.46 0.00 . 1 . . . . 72 PHE HB3 . 16270 1 832 . 1 1 72 72 PHE HD1 H 1 6.88 0.00 . 3 . . . . 72 PHE HD1 . 16270 1 833 . 1 1 72 72 PHE C C 13 176.55 0.00 . 1 . . . . 72 PHE C . 16270 1 834 . 1 1 72 72 PHE CA C 13 52.82 0.00 . 1 . . . . 72 PHE CA . 16270 1 835 . 1 1 72 72 PHE CB C 13 37.58 0.00 . 1 . . . . 72 PHE CB . 16270 1 836 . 1 1 72 72 PHE CD1 C 13 129.70 0.00 . 3 . . . . 72 PHE CD1 . 16270 1 837 . 1 1 72 72 PHE N N 15 122.38 0.00 . 1 . . . . 72 PHE N . 16270 1 838 . 1 1 73 73 THR H H 1 8.81 0.00 . 1 . . . . 73 THR H . 16270 1 839 . 1 1 73 73 THR HA H 1 4.30 0.00 . 1 . . . . 73 THR HA . 16270 1 840 . 1 1 73 73 THR HB H 1 4.14 0.00 . 1 . . . . 73 THR HB . 16270 1 841 . 1 1 73 73 THR HG1 H 1 6.45 0.00 . 1 . . . . 73 THR HG1 . 16270 1 842 . 1 1 73 73 THR HG21 H 1 1.55 0.00 . 1 . . . . 73 THR HG2 . 16270 1 843 . 1 1 73 73 THR HG22 H 1 1.55 0.00 . 1 . . . . 73 THR HG2 . 16270 1 844 . 1 1 73 73 THR HG23 H 1 1.55 0.00 . 1 . . . . 73 THR HG2 . 16270 1 845 . 1 1 73 73 THR C C 13 175.71 0.00 . 1 . . . . 73 THR C . 16270 1 846 . 1 1 73 73 THR CA C 13 68.43 0.00 . 1 . . . . 73 THR CA . 16270 1 847 . 1 1 73 73 THR CB C 13 69.96 0.00 . 1 . . . . 73 THR CB . 16270 1 848 . 1 1 73 73 THR CG2 C 13 23.00 0.00 . 1 . . . . 73 THR CG2 . 16270 1 849 . 1 1 73 73 THR N N 15 121.59 0.00 . 1 . . . . 73 THR N . 16270 1 850 . 1 1 74 74 ASN H H 1 9.77 0.00 . 1 . . . . 74 ASN H . 16270 1 851 . 1 1 74 74 ASN HA H 1 5.11 0.00 . 1 . . . . 74 ASN HA . 16270 1 852 . 1 1 74 74 ASN HB2 H 1 2.94 0.00 . 1 . . . . 74 ASN HB2 . 16270 1 853 . 1 1 74 74 ASN HB3 H 1 2.75 0.00 . 1 . . . . 74 ASN HB3 . 16270 1 854 . 1 1 74 74 ASN HD21 H 1 7.43 0.00 . 1 . . . . 74 ASN HD22 . 16270 1 855 . 1 1 74 74 ASN HD22 H 1 6.91 0.00 . 1 . . . . 74 ASN HD23 . 16270 1 856 . 1 1 74 74 ASN C C 13 176.69 0.00 . 1 . . . . 74 ASN C . 16270 1 857 . 1 1 74 74 ASN CA C 13 52.59 0.00 . 1 . . . . 74 ASN CA . 16270 1 858 . 1 1 74 74 ASN CB C 13 40.12 0.00 . 1 . . . . 74 ASN CB . 16270 1 859 . 1 1 74 74 ASN N N 15 117.74 0.00 . 1 . . . . 74 ASN N . 16270 1 860 . 1 1 74 74 ASN ND2 N 15 112.04 0.00 . 1 . . . . 74 ASN ND2 . 16270 1 861 . 1 1 75 75 LEU H H 1 7.81 0.00 . 1 . . . . 75 LEU H . 16270 1 862 . 1 1 75 75 LEU HA H 1 3.44 0.00 . 1 . . . . 75 LEU HA . 16270 1 863 . 1 1 75 75 LEU HB2 H 1 1.18 0.00 . 1 . . . . 75 LEU HB2 . 16270 1 864 . 1 1 75 75 LEU HB3 H 1 0.72 0.00 . 1 . . . . 75 LEU HB3 . 16270 1 865 . 1 1 75 75 LEU HD11 H 1 -0.22 0.00 . 1 . . . . 75 LEU HD1 . 16270 1 866 . 1 1 75 75 LEU HD12 H 1 -0.22 0.00 . 1 . . . . 75 LEU HD1 . 16270 1 867 . 1 1 75 75 LEU HD13 H 1 -0.22 0.00 . 1 . . . . 75 LEU HD1 . 16270 1 868 . 1 1 75 75 LEU HD21 H 1 -0.08 0.00 . 1 . . . . 75 LEU HD2 . 16270 1 869 . 1 1 75 75 LEU HD22 H 1 -0.08 0.00 . 1 . . . . 75 LEU HD2 . 16270 1 870 . 1 1 75 75 LEU HD23 H 1 -0.08 0.00 . 1 . . . . 75 LEU HD2 . 16270 1 871 . 1 1 75 75 LEU HG H 1 -0.56 0.00 . 1 . . . . 75 LEU HG . 16270 1 872 . 1 1 75 75 LEU C C 13 176.09 0.00 . 1 . . . . 75 LEU C . 16270 1 873 . 1 1 75 75 LEU CA C 13 57.87 0.00 . 1 . . . . 75 LEU CA . 16270 1 874 . 1 1 75 75 LEU CB C 13 41.49 0.00 . 1 . . . . 75 LEU CB . 16270 1 875 . 1 1 75 75 LEU CD1 C 13 23.88 0.00 . 1 . . . . 75 LEU CD1 . 16270 1 876 . 1 1 75 75 LEU CD2 C 13 25.92 0.00 . 1 . . . . 75 LEU CD2 . 16270 1 877 . 1 1 75 75 LEU CG C 13 26.02 0.00 . 1 . . . . 75 LEU CG . 16270 1 878 . 1 1 75 75 LEU N N 15 122.55 0.00 . 1 . . . . 75 LEU N . 16270 1 879 . 1 1 76 76 LYS H H 1 7.57 0.00 . 1 . . . . 76 LYS H . 16270 1 880 . 1 1 76 76 LYS HA H 1 4.30 0.00 . 1 . . . . 76 LYS HA . 16270 1 881 . 1 1 76 76 LYS HB2 H 1 2.05 0.00 . 1 . . . . 76 LYS HB2 . 16270 1 882 . 1 1 76 76 LYS HB3 H 1 1.92 0.00 . 1 . . . . 76 LYS HB3 . 16270 1 883 . 1 1 76 76 LYS HD2 H 1 1.81 0.00 . 2 . . . . 76 LYS HD2 . 16270 1 884 . 1 1 76 76 LYS HD3 H 1 1.81 0.00 . 2 . . . . 76 LYS HD3 . 16270 1 885 . 1 1 76 76 LYS HE2 H 1 2.95 0.00 . 1 . . . . 76 LYS HE2 . 16270 1 886 . 1 1 76 76 LYS HE3 H 1 3.12 0.00 . 1 . . . . 76 LYS HE3 . 16270 1 887 . 1 1 76 76 LYS HG2 H 1 1.54 0.00 . 1 . . . . 76 LYS HG2 . 16270 1 888 . 1 1 76 76 LYS HG3 H 1 1.42 0.00 . 1 . . . . 76 LYS HG3 . 16270 1 889 . 1 1 76 76 LYS C C 13 175.78 0.00 . 1 . . . . 76 LYS C . 16270 1 890 . 1 1 76 76 LYS CA C 13 57.97 0.00 . 1 . . . . 76 LYS CA . 16270 1 891 . 1 1 76 76 LYS CB C 13 31.64 0.00 . 1 . . . . 76 LYS CB . 16270 1 892 . 1 1 76 76 LYS CD C 13 29.87 0.00 . 1 . . . . 76 LYS CD . 16270 1 893 . 1 1 76 76 LYS CE C 13 42.45 0.00 . 1 . . . . 76 LYS CE . 16270 1 894 . 1 1 76 76 LYS CG C 13 24.23 0.00 . 1 . . . . 76 LYS CG . 16270 1 895 . 1 1 76 76 LYS N N 15 112.37 0.00 . 1 . . . . 76 LYS N . 16270 1 896 . 1 1 77 77 ALA H H 1 7.89 0.00 . 1 . . . . 77 ALA H . 16270 1 897 . 1 1 77 77 ALA HA H 1 4.24 0.00 . 1 . . . . 77 ALA HA . 16270 1 898 . 1 1 77 77 ALA HB1 H 1 1.44 0.00 . 1 . . . . 77 ALA HB . 16270 1 899 . 1 1 77 77 ALA HB2 H 1 1.44 0.00 . 1 . . . . 77 ALA HB . 16270 1 900 . 1 1 77 77 ALA HB3 H 1 1.44 0.00 . 1 . . . . 77 ALA HB . 16270 1 901 . 1 1 77 77 ALA C C 13 178.48 0.00 . 1 . . . . 77 ALA C . 16270 1 902 . 1 1 77 77 ALA CA C 13 53.42 0.00 . 1 . . . . 77 ALA CA . 16270 1 903 . 1 1 77 77 ALA CB C 13 19.65 0.00 . 1 . . . . 77 ALA CB . 16270 1 904 . 1 1 77 77 ALA N N 15 123.86 0.00 . 1 . . . . 77 ALA N . 16270 1 905 . 1 1 78 78 ALA H H 1 8.12 0.00 . 1 . . . . 78 ALA H . 16270 1 906 . 1 1 78 78 ALA HA H 1 4.08 0.00 . 1 . . . . 78 ALA HA . 16270 1 907 . 1 1 78 78 ALA HB1 H 1 1.24 0.00 . 1 . . . . 78 ALA HB . 16270 1 908 . 1 1 78 78 ALA HB2 H 1 1.24 0.00 . 1 . . . . 78 ALA HB . 16270 1 909 . 1 1 78 78 ALA HB3 H 1 1.24 0.00 . 1 . . . . 78 ALA HB . 16270 1 910 . 1 1 78 78 ALA C C 13 174.78 0.00 . 1 . . . . 78 ALA C . 16270 1 911 . 1 1 78 78 ALA CA C 13 52.23 0.00 . 1 . . . . 78 ALA CA . 16270 1 912 . 1 1 78 78 ALA CB C 13 19.46 0.00 . 1 . . . . 78 ALA CB . 16270 1 913 . 1 1 78 78 ALA N N 15 120.68 0.00 . 1 . . . . 78 ALA N . 16270 1 914 . 1 1 79 79 LYS H H 1 8.37 0.00 . 1 . . . . 79 LYS H . 16270 1 915 . 1 1 79 79 LYS HA H 1 5.11 0.00 . 1 . . . . 79 LYS HA . 16270 1 916 . 1 1 79 79 LYS HB2 H 1 1.71 0.00 . 1 . . . . 79 LYS HB2 . 16270 1 917 . 1 1 79 79 LYS HB3 H 1 1.52 0.00 . 1 . . . . 79 LYS HB3 . 16270 1 918 . 1 1 79 79 LYS HD2 H 1 1.64 0.00 . 1 . . . . 79 LYS HD2 . 16270 1 919 . 1 1 79 79 LYS HD3 H 1 1.67 0.00 . 1 . . . . 79 LYS HD3 . 16270 1 920 . 1 1 79 79 LYS HE2 H 1 2.98 0.00 . 1 . . . . 79 LYS HE2 . 16270 1 921 . 1 1 79 79 LYS HE3 H 1 2.95 0.00 . 1 . . . . 79 LYS HE3 . 16270 1 922 . 1 1 79 79 LYS HG2 H 1 1.33 0.00 . 1 . . . . 79 LYS HG2 . 16270 1 923 . 1 1 79 79 LYS HG3 H 1 1.29 0.00 . 1 . . . . 79 LYS HG3 . 16270 1 924 . 1 1 79 79 LYS C C 13 176.56 0.00 . 1 . . . . 79 LYS C . 16270 1 925 . 1 1 79 79 LYS CA C 13 54.21 0.00 . 1 . . . . 79 LYS CA . 16270 1 926 . 1 1 79 79 LYS CB C 13 36.12 0.00 . 1 . . . . 79 LYS CB . 16270 1 927 . 1 1 79 79 LYS CD C 13 29.41 0.00 . 1 . . . . 79 LYS CD . 16270 1 928 . 1 1 79 79 LYS CE C 13 41.91 0.00 . 1 . . . . 79 LYS CE . 16270 1 929 . 1 1 79 79 LYS CG C 13 25.42 0.00 . 1 . . . . 79 LYS CG . 16270 1 930 . 1 1 79 79 LYS N N 15 116.82 0.00 . 1 . . . . 79 LYS N . 16270 1 931 . 1 1 80 80 LYS H H 1 8.54 0.00 . 1 . . . . 80 LYS H . 16270 1 932 . 1 1 80 80 LYS HA H 1 3.58 0.00 . 1 . . . . 80 LYS HA . 16270 1 933 . 1 1 80 80 LYS HB2 H 1 1.72 0.00 . 1 . . . . 80 LYS HB2 . 16270 1 934 . 1 1 80 80 LYS HB3 H 1 1.68 0.00 . 1 . . . . 80 LYS HB3 . 16270 1 935 . 1 1 80 80 LYS HD2 H 1 1.73 0.00 . 2 . . . . 80 LYS HD2 . 16270 1 936 . 1 1 80 80 LYS HD3 H 1 1.73 0.00 . 2 . . . . 80 LYS HD3 . 16270 1 937 . 1 1 80 80 LYS HE2 H 1 3.04 0.00 . 2 . . . . 80 LYS HE2 . 16270 1 938 . 1 1 80 80 LYS HE3 H 1 3.04 0.00 . 2 . . . . 80 LYS HE3 . 16270 1 939 . 1 1 80 80 LYS HG2 H 1 1.45 0.00 . 1 . . . . 80 LYS HG2 . 16270 1 940 . 1 1 80 80 LYS HG3 H 1 1.19 0.00 . 1 . . . . 80 LYS HG3 . 16270 1 941 . 1 1 80 80 LYS C C 13 177.71 0.00 . 1 . . . . 80 LYS C . 16270 1 942 . 1 1 80 80 LYS CA C 13 60.07 0.00 . 1 . . . . 80 LYS CA . 16270 1 943 . 1 1 80 80 LYS CB C 13 31.84 0.00 . 1 . . . . 80 LYS CB . 16270 1 944 . 1 1 80 80 LYS CD C 13 29.77 0.00 . 1 . . . . 80 LYS CD . 16270 1 945 . 1 1 80 80 LYS CE C 13 42.05 0.00 . 1 . . . . 80 LYS CE . 16270 1 946 . 1 1 80 80 LYS CG C 13 26.16 0.00 . 1 . . . . 80 LYS CG . 16270 1 947 . 1 1 80 80 LYS N N 15 120.88 0.00 . 1 . . . . 80 LYS N . 16270 1 948 . 1 1 81 81 GLY H H 1 9.24 0.00 . 1 . . . . 81 GLY H . 16270 1 949 . 1 1 81 81 GLY HA2 H 1 4.56 0.00 . 1 . . . . 81 GLY HA2 . 16270 1 950 . 1 1 81 81 GLY HA3 H 1 3.43 0.00 . 1 . . . . 81 GLY HA3 . 16270 1 951 . 1 1 81 81 GLY C C 13 174.53 0.00 . 1 . . . . 81 GLY C . 16270 1 952 . 1 1 81 81 GLY CA C 13 45.23 0.00 . 1 . . . . 81 GLY CA . 16270 1 953 . 1 1 81 81 GLY N N 15 114.86 0.00 . 1 . . . . 81 GLY N . 16270 1 954 . 1 1 82 82 SER H H 1 8.62 0.00 . 1 . . . . 82 SER H . 16270 1 955 . 1 1 82 82 SER HA H 1 4.28 0.00 . 1 . . . . 82 SER HA . 16270 1 956 . 1 1 82 82 SER HB2 H 1 4.08 0.00 . 1 . . . . 82 SER HB2 . 16270 1 957 . 1 1 82 82 SER HB3 H 1 3.91 0.00 . 1 . . . . 82 SER HB3 . 16270 1 958 . 1 1 82 82 SER C C 13 173.99 0.00 . 1 . . . . 82 SER C . 16270 1 959 . 1 1 82 82 SER CA C 13 61.96 0.00 . 1 . . . . 82 SER CA . 16270 1 960 . 1 1 82 82 SER CB C 13 63.74 0.00 . 1 . . . . 82 SER CB . 16270 1 961 . 1 1 82 82 SER N N 15 119.37 0.00 . 1 . . . . 82 SER N . 16270 1 962 . 1 1 83 83 MET H H 1 8.46 0.00 . 1 . . . . 83 MET H . 16270 1 963 . 1 1 83 83 MET HA H 1 5.10 0.00 . 1 . . . . 83 MET HA . 16270 1 964 . 1 1 83 83 MET HB2 H 1 1.63 0.00 . 1 . . . . 83 MET HB2 . 16270 1 965 . 1 1 83 83 MET HB3 H 1 1.95 0.00 . 1 . . . . 83 MET HB3 . 16270 1 966 . 1 1 83 83 MET HE1 H 1 1.93 0.00 . 1 . . . . 83 MET HE . 16270 1 967 . 1 1 83 83 MET HE2 H 1 1.93 0.00 . 1 . . . . 83 MET HE . 16270 1 968 . 1 1 83 83 MET HE3 H 1 1.93 0.00 . 1 . . . . 83 MET HE . 16270 1 969 . 1 1 83 83 MET HG2 H 1 2.79 0.00 . 1 . . . . 83 MET HG2 . 16270 1 970 . 1 1 83 83 MET HG3 H 1 2.61 0.00 . 1 . . . . 83 MET HG3 . 16270 1 971 . 1 1 83 83 MET C C 13 176.20 0.00 . 1 . . . . 83 MET C . 16270 1 972 . 1 1 83 83 MET CA C 13 54.14 0.00 . 1 . . . . 83 MET CA . 16270 1 973 . 1 1 83 83 MET CB C 13 32.41 0.00 . 1 . . . . 83 MET CB . 16270 1 974 . 1 1 83 83 MET CE C 13 15.60 0.00 . 1 . . . . 83 MET CE . 16270 1 975 . 1 1 83 83 MET CG C 13 32.39 0.00 . 1 . . . . 83 MET CG . 16270 1 976 . 1 1 83 83 MET N N 15 122.24 0.00 . 1 . . . . 83 MET N . 16270 1 977 . 1 1 84 84 VAL H H 1 8.78 0.00 . 1 . . . . 84 VAL H . 16270 1 978 . 1 1 84 84 VAL HA H 1 4.45 0.00 . 1 . . . . 84 VAL HA . 16270 1 979 . 1 1 84 84 VAL HB H 1 1.64 0.00 . 1 . . . . 84 VAL HB . 16270 1 980 . 1 1 84 84 VAL HG11 H 1 0.62 0.00 . 1 . . . . 84 VAL HG1 . 16270 1 981 . 1 1 84 84 VAL HG12 H 1 0.62 0.00 . 1 . . . . 84 VAL HG1 . 16270 1 982 . 1 1 84 84 VAL HG13 H 1 0.62 0.00 . 1 . . . . 84 VAL HG1 . 16270 1 983 . 1 1 84 84 VAL HG21 H 1 0.66 0.00 . 1 . . . . 84 VAL HG2 . 16270 1 984 . 1 1 84 84 VAL HG22 H 1 0.66 0.00 . 1 . . . . 84 VAL HG2 . 16270 1 985 . 1 1 84 84 VAL HG23 H 1 0.66 0.00 . 1 . . . . 84 VAL HG2 . 16270 1 986 . 1 1 84 84 VAL C C 13 173.73 0.00 . 1 . . . . 84 VAL C . 16270 1 987 . 1 1 84 84 VAL CA C 13 61.22 0.00 . 1 . . . . 84 VAL CA . 16270 1 988 . 1 1 84 84 VAL CB C 13 35.85 0.00 . 1 . . . . 84 VAL CB . 16270 1 989 . 1 1 84 84 VAL CG1 C 13 21.88 0.00 . 1 . . . . 84 VAL CG1 . 16270 1 990 . 1 1 84 84 VAL CG2 C 13 21.14 0.00 . 1 . . . . 84 VAL CG2 . 16270 1 991 . 1 1 84 84 VAL N N 15 121.05 0.00 . 1 . . . . 84 VAL N . 16270 1 992 . 1 1 85 85 TYR H H 1 9.26 0.00 . 1 . . . . 85 TYR H . 16270 1 993 . 1 1 85 85 TYR HA H 1 5.63 0.00 . 1 . . . . 85 TYR HA . 16270 1 994 . 1 1 85 85 TYR HB2 H 1 3.00 0.00 . 1 . . . . 85 TYR HB2 . 16270 1 995 . 1 1 85 85 TYR HB3 H 1 2.88 0.00 . 1 . . . . 85 TYR HB3 . 16270 1 996 . 1 1 85 85 TYR HD1 H 1 6.99 0.00 . 3 . . . . 85 TYR HD1 . 16270 1 997 . 1 1 85 85 TYR HE1 H 1 6.67 0.00 . 3 . . . . 85 TYR HE1 . 16270 1 998 . 1 1 85 85 TYR C C 13 174.79 0.00 . 1 . . . . 85 TYR C . 16270 1 999 . 1 1 85 85 TYR CA C 13 56.25 0.00 . 1 . . . . 85 TYR CA . 16270 1 1000 . 1 1 85 85 TYR CB C 13 41.09 0.00 . 1 . . . . 85 TYR CB . 16270 1 1001 . 1 1 85 85 TYR CD1 C 13 133.21 0.00 . 3 . . . . 85 TYR CD1 . 16270 1 1002 . 1 1 85 85 TYR CE1 C 13 117.37 0.00 . 3 . . . . 85 TYR CE1 . 16270 1 1003 . 1 1 85 85 TYR N N 15 124.09 0.00 . 1 . . . . 85 TYR N . 16270 1 1004 . 1 1 86 86 PHE H H 1 9.69 0.00 . 1 . . . . 86 PHE H . 16270 1 1005 . 1 1 86 86 PHE HA H 1 5.99 0.00 . 1 . . . . 86 PHE HA . 16270 1 1006 . 1 1 86 86 PHE HB2 H 1 3.56 0.00 . 1 . . . . 86 PHE HB2 . 16270 1 1007 . 1 1 86 86 PHE HB3 H 1 2.88 0.00 . 1 . . . . 86 PHE HB3 . 16270 1 1008 . 1 1 86 86 PHE HD1 H 1 7.32 0.00 . 3 . . . . 86 PHE HD1 . 16270 1 1009 . 1 1 86 86 PHE HE1 H 1 6.92 0.00 . 3 . . . . 86 PHE HE1 . 16270 1 1010 . 1 1 86 86 PHE C C 13 173.53 0.00 . 1 . . . . 86 PHE C . 16270 1 1011 . 1 1 86 86 PHE CA C 13 54.16 0.00 . 1 . . . . 86 PHE CA . 16270 1 1012 . 1 1 86 86 PHE CB C 13 43.27 0.00 . 1 . . . . 86 PHE CB . 16270 1 1013 . 1 1 86 86 PHE CD1 C 13 130.97 0.00 . 3 . . . . 86 PHE CD1 . 16270 1 1014 . 1 1 86 86 PHE CE1 C 13 131.00 0.00 . 3 . . . . 86 PHE CE1 . 16270 1 1015 . 1 1 86 86 PHE N N 15 125.89 0.00 . 1 . . . . 86 PHE N . 16270 1 1016 . 1 1 87 87 LYS H H 1 9.41 0.00 . 1 . . . . 87 LYS H . 16270 1 1017 . 1 1 87 87 LYS HA H 1 5.14 0.00 . 1 . . . . 87 LYS HA . 16270 1 1018 . 1 1 87 87 LYS HB2 H 1 1.91 0.00 . 1 . . . . 87 LYS HB2 . 16270 1 1019 . 1 1 87 87 LYS HB3 H 1 1.74 0.00 . 1 . . . . 87 LYS HB3 . 16270 1 1020 . 1 1 87 87 LYS HD2 H 1 1.81 0.00 . 2 . . . . 87 LYS HD2 . 16270 1 1021 . 1 1 87 87 LYS HD3 H 1 1.81 0.00 . 2 . . . . 87 LYS HD3 . 16270 1 1022 . 1 1 87 87 LYS HE2 H 1 3.12 0.00 . 1 . . . . 87 LYS HE2 . 16270 1 1023 . 1 1 87 87 LYS HE3 H 1 2.95 0.00 . 1 . . . . 87 LYS HE3 . 16270 1 1024 . 1 1 87 87 LYS HG2 H 1 1.46 0.00 . 1 . . . . 87 LYS HG2 . 16270 1 1025 . 1 1 87 87 LYS HG3 H 1 1.34 0.00 . 1 . . . . 87 LYS HG3 . 16270 1 1026 . 1 1 87 87 LYS C C 13 175.04 0.00 . 1 . . . . 87 LYS C . 16270 1 1027 . 1 1 87 87 LYS CA C 13 55.49 0.00 . 1 . . . . 87 LYS CA . 16270 1 1028 . 1 1 87 87 LYS CB C 13 34.37 0.00 . 1 . . . . 87 LYS CB . 16270 1 1029 . 1 1 87 87 LYS CD C 13 29.97 0.00 . 1 . . . . 87 LYS CD . 16270 1 1030 . 1 1 87 87 LYS CE C 13 42.52 0.00 . 1 . . . . 87 LYS CE . 16270 1 1031 . 1 1 87 87 LYS CG C 13 25.13 0.00 . 1 . . . . 87 LYS CG . 16270 1 1032 . 1 1 87 87 LYS N N 15 130.64 0.00 . 1 . . . . 87 LYS N . 16270 1 1033 . 1 1 88 88 VAL H H 1 8.14 0.00 . 1 . . . . 88 VAL H . 16270 1 1034 . 1 1 88 88 VAL HA H 1 4.37 0.00 . 1 . . . . 88 VAL HA . 16270 1 1035 . 1 1 88 88 VAL HB H 1 1.64 0.00 . 1 . . . . 88 VAL HB . 16270 1 1036 . 1 1 88 88 VAL HG11 H 1 0.61 0.00 . 1 . . . . 88 VAL HG1 . 16270 1 1037 . 1 1 88 88 VAL HG12 H 1 0.61 0.00 . 1 . . . . 88 VAL HG1 . 16270 1 1038 . 1 1 88 88 VAL HG13 H 1 0.61 0.00 . 1 . . . . 88 VAL HG1 . 16270 1 1039 . 1 1 88 88 VAL HG21 H 1 0.44 0.00 . 1 . . . . 88 VAL HG2 . 16270 1 1040 . 1 1 88 88 VAL HG22 H 1 0.44 0.00 . 1 . . . . 88 VAL HG2 . 16270 1 1041 . 1 1 88 88 VAL HG23 H 1 0.44 0.00 . 1 . . . . 88 VAL HG2 . 16270 1 1042 . 1 1 88 88 VAL C C 13 175.77 0.00 . 1 . . . . 88 VAL C . 16270 1 1043 . 1 1 88 88 VAL CA C 13 59.61 0.00 . 1 . . . . 88 VAL CA . 16270 1 1044 . 1 1 88 88 VAL CB C 13 34.08 0.00 . 1 . . . . 88 VAL CB . 16270 1 1045 . 1 1 88 88 VAL CG1 C 13 19.52 0.00 . 1 . . . . 88 VAL CG1 . 16270 1 1046 . 1 1 88 88 VAL CG2 C 13 21.73 0.00 . 1 . . . . 88 VAL CG2 . 16270 1 1047 . 1 1 88 88 VAL N N 15 121.67 0.00 . 1 . . . . 88 VAL N . 16270 1 1048 . 1 1 89 89 GLY H H 1 9.02 0.00 . 1 . . . . 89 GLY H . 16270 1 1049 . 1 1 89 89 GLY HA2 H 1 3.86 0.00 . 1 . . . . 89 GLY HA2 . 16270 1 1050 . 1 1 89 89 GLY HA3 H 1 3.69 0.00 . 1 . . . . 89 GLY HA3 . 16270 1 1051 . 1 1 89 89 GLY C C 13 175.14 0.00 . 1 . . . . 89 GLY C . 16270 1 1052 . 1 1 89 89 GLY CA C 13 47.48 0.00 . 1 . . . . 89 GLY CA . 16270 1 1053 . 1 1 89 89 GLY N N 15 115.78 0.00 . 1 . . . . 89 GLY N . 16270 1 1054 . 1 1 90 90 ASN H H 1 8.96 0.00 . 1 . . . . 90 ASN H . 16270 1 1055 . 1 1 90 90 ASN HA H 1 4.78 0.00 . 1 . . . . 90 ASN HA . 16270 1 1056 . 1 1 90 90 ASN HB2 H 1 2.96 0.00 . 1 . . . . 90 ASN HB2 . 16270 1 1057 . 1 1 90 90 ASN HB3 H 1 2.81 0.00 . 1 . . . . 90 ASN HB3 . 16270 1 1058 . 1 1 90 90 ASN HD21 H 1 7.56 0.00 . 1 . . . . 90 ASN HD22 . 16270 1 1059 . 1 1 90 90 ASN HD22 H 1 6.90 0.00 . 1 . . . . 90 ASN HD23 . 16270 1 1060 . 1 1 90 90 ASN C C 13 174.96 0.00 . 1 . . . . 90 ASN C . 16270 1 1061 . 1 1 90 90 ASN CA C 13 53.26 0.00 . 1 . . . . 90 ASN CA . 16270 1 1062 . 1 1 90 90 ASN CB C 13 38.99 0.00 . 1 . . . . 90 ASN CB . 16270 1 1063 . 1 1 90 90 ASN N N 15 125.08 0.00 . 1 . . . . 90 ASN N . 16270 1 1064 . 1 1 90 90 ASN ND2 N 15 112.56 0.00 . 1 . . . . 90 ASN ND2 . 16270 1 1065 . 1 1 91 91 GLU H H 1 8.45 0.00 . 1 . . . . 91 GLU H . 16270 1 1066 . 1 1 91 91 GLU HA H 1 4.69 0.00 . 1 . . . . 91 GLU HA . 16270 1 1067 . 1 1 91 91 GLU HB2 H 1 2.03 0.00 . 1 . . . . 91 GLU HB2 . 16270 1 1068 . 1 1 91 91 GLU HB3 H 1 1.90 0.00 . 1 . . . . 91 GLU HB3 . 16270 1 1069 . 1 1 91 91 GLU HG2 H 1 2.43 0.00 . 1 . . . . 91 GLU HG2 . 16270 1 1070 . 1 1 91 91 GLU HG3 H 1 2.29 0.00 . 1 . . . . 91 GLU HG3 . 16270 1 1071 . 1 1 91 91 GLU C C 13 175.74 0.00 . 1 . . . . 91 GLU C . 16270 1 1072 . 1 1 91 91 GLU CA C 13 56.18 0.00 . 1 . . . . 91 GLU CA . 16270 1 1073 . 1 1 91 91 GLU CB C 13 32.01 0.00 . 1 . . . . 91 GLU CB . 16270 1 1074 . 1 1 91 91 GLU CG C 13 36.82 0.00 . 1 . . . . 91 GLU CG . 16270 1 1075 . 1 1 91 91 GLU N N 15 121.59 0.00 . 1 . . . . 91 GLU N . 16270 1 1076 . 1 1 92 92 THR H H 1 8.71 0.00 . 1 . . . . 92 THR H . 16270 1 1077 . 1 1 92 92 THR HA H 1 4.67 0.00 . 1 . . . . 92 THR HA . 16270 1 1078 . 1 1 92 92 THR HB H 1 4.02 0.00 . 1 . . . . 92 THR HB . 16270 1 1079 . 1 1 92 92 THR HG21 H 1 1.15 0.00 . 1 . . . . 92 THR HG2 . 16270 1 1080 . 1 1 92 92 THR HG22 H 1 1.15 0.00 . 1 . . . . 92 THR HG2 . 16270 1 1081 . 1 1 92 92 THR HG23 H 1 1.15 0.00 . 1 . . . . 92 THR HG2 . 16270 1 1082 . 1 1 92 92 THR C C 13 174.15 0.00 . 1 . . . . 92 THR C . 16270 1 1083 . 1 1 92 92 THR CA C 13 63.01 0.00 . 1 . . . . 92 THR CA . 16270 1 1084 . 1 1 92 92 THR CB C 13 69.70 0.00 . 1 . . . . 92 THR CB . 16270 1 1085 . 1 1 92 92 THR CG2 C 13 22.07 0.00 . 1 . . . . 92 THR CG2 . 16270 1 1086 . 1 1 92 92 THR N N 15 120.68 0.00 . 1 . . . . 92 THR N . 16270 1 1087 . 1 1 93 93 ARG H H 1 9.37 0.00 . 1 . . . . 93 ARG H . 16270 1 1088 . 1 1 93 93 ARG HA H 1 4.49 0.00 . 1 . . . . 93 ARG HA . 16270 1 1089 . 1 1 93 93 ARG HB2 H 1 2.31 0.00 . 1 . . . . 93 ARG HB2 . 16270 1 1090 . 1 1 93 93 ARG HB3 H 1 1.91 0.00 . 1 . . . . 93 ARG HB3 . 16270 1 1091 . 1 1 93 93 ARG HD2 H 1 3.37 0.00 . 1 . . . . 93 ARG HD2 . 16270 1 1092 . 1 1 93 93 ARG HD3 H 1 3.15 0.00 . 1 . . . . 93 ARG HD3 . 16270 1 1093 . 1 1 93 93 ARG HE H 1 7.50 0.00 . 1 . . . . 93 ARG HE . 16270 1 1094 . 1 1 93 93 ARG HG2 H 1 1.72 0.00 . 2 . . . . 93 ARG HG2 . 16270 1 1095 . 1 1 93 93 ARG HG3 H 1 1.72 0.00 . 2 . . . . 93 ARG HG3 . 16270 1 1096 . 1 1 93 93 ARG C C 13 174.53 0.00 . 1 . . . . 93 ARG C . 16270 1 1097 . 1 1 93 93 ARG CA C 13 56.32 0.00 . 1 . . . . 93 ARG CA . 16270 1 1098 . 1 1 93 93 ARG CB C 13 33.13 0.00 . 1 . . . . 93 ARG CB . 16270 1 1099 . 1 1 93 93 ARG CD C 13 44.70 0.00 . 1 . . . . 93 ARG CD . 16270 1 1100 . 1 1 93 93 ARG CG C 13 28.25 0.00 . 1 . . . . 93 ARG CG . 16270 1 1101 . 1 1 93 93 ARG N N 15 129.41 0.00 . 1 . . . . 93 ARG N . 16270 1 1102 . 1 1 93 93 ARG NE N 15 121.31 0.00 . 1 . . . . 93 ARG NE . 16270 1 1103 . 1 1 94 94 LYS H H 1 8.40 0.00 . 1 . . . . 94 LYS H . 16270 1 1104 . 1 1 94 94 LYS HA H 1 5.11 0.00 . 1 . . . . 94 LYS HA . 16270 1 1105 . 1 1 94 94 LYS HB2 H 1 1.71 0.00 . 1 . . . . 94 LYS HB2 . 16270 1 1106 . 1 1 94 94 LYS HB3 H 1 1.52 0.00 . 1 . . . . 94 LYS HB3 . 16270 1 1107 . 1 1 94 94 LYS HD2 H 1 1.51 0.00 . 2 . . . . 94 LYS HD2 . 16270 1 1108 . 1 1 94 94 LYS HD3 H 1 1.51 0.00 . 2 . . . . 94 LYS HD3 . 16270 1 1109 . 1 1 94 94 LYS HE2 H 1 2.94 0.00 . 2 . . . . 94 LYS HE2 . 16270 1 1110 . 1 1 94 94 LYS HE3 H 1 2.94 0.00 . 2 . . . . 94 LYS HE3 . 16270 1 1111 . 1 1 94 94 LYS HG2 H 1 1.42 0.00 . 1 . . . . 94 LYS HG2 . 16270 1 1112 . 1 1 94 94 LYS HG3 H 1 1.34 0.00 . 1 . . . . 94 LYS HG3 . 16270 1 1113 . 1 1 94 94 LYS C C 13 174.68 0.00 . 1 . . . . 94 LYS C . 16270 1 1114 . 1 1 94 94 LYS CA C 13 55.66 0.00 . 1 . . . . 94 LYS CA . 16270 1 1115 . 1 1 94 94 LYS CB C 13 35.72 0.00 . 1 . . . . 94 LYS CB . 16270 1 1116 . 1 1 94 94 LYS CD C 13 29.90 0.00 . 1 . . . . 94 LYS CD . 16270 1 1117 . 1 1 94 94 LYS CE C 13 42.80 0.00 . 1 . . . . 94 LYS CE . 16270 1 1118 . 1 1 94 94 LYS CG C 13 25.20 0.00 . 1 . . . . 94 LYS CG . 16270 1 1119 . 1 1 94 94 LYS N N 15 122.70 0.00 . 1 . . . . 94 LYS N . 16270 1 1120 . 1 1 95 95 TYR H H 1 9.05 0.00 . 1 . . . . 95 TYR H . 16270 1 1121 . 1 1 95 95 TYR HA H 1 5.07 0.00 . 1 . . . . 95 TYR HA . 16270 1 1122 . 1 1 95 95 TYR HB2 H 1 2.39 0.00 . 1 . . . . 95 TYR HB2 . 16270 1 1123 . 1 1 95 95 TYR HB3 H 1 2.30 0.00 . 1 . . . . 95 TYR HB3 . 16270 1 1124 . 1 1 95 95 TYR HD1 H 1 6.80 0.00 . 3 . . . . 95 TYR HD1 . 16270 1 1125 . 1 1 95 95 TYR HE1 H 1 6.52 0.00 . 3 . . . . 95 TYR HE1 . 16270 1 1126 . 1 1 95 95 TYR C C 13 173.34 0.00 . 1 . . . . 95 TYR C . 16270 1 1127 . 1 1 95 95 TYR CA C 13 55.70 0.00 . 1 . . . . 95 TYR CA . 16270 1 1128 . 1 1 95 95 TYR CB C 13 43.88 0.00 . 1 . . . . 95 TYR CB . 16270 1 1129 . 1 1 95 95 TYR CD1 C 13 133.52 0.00 . 3 . . . . 95 TYR CD1 . 16270 1 1130 . 1 1 95 95 TYR CE1 C 13 117.68 0.00 . 3 . . . . 95 TYR CE1 . 16270 1 1131 . 1 1 95 95 TYR N N 15 120.00 0.00 . 1 . . . . 95 TYR N . 16270 1 1132 . 1 1 96 96 LYS H H 1 8.95 0.00 . 1 . . . . 96 LYS H . 16270 1 1133 . 1 1 96 96 LYS HA H 1 5.10 0.00 . 1 . . . . 96 LYS HA . 16270 1 1134 . 1 1 96 96 LYS HB2 H 1 1.69 0.00 . 1 . . . . 96 LYS HB2 . 16270 1 1135 . 1 1 96 96 LYS HB3 H 1 1.47 0.00 . 1 . . . . 96 LYS HB3 . 16270 1 1136 . 1 1 96 96 LYS HD2 H 1 1.63 0.00 . 2 . . . . 96 LYS HD2 . 16270 1 1137 . 1 1 96 96 LYS HD3 H 1 1.63 0.00 . 2 . . . . 96 LYS HD3 . 16270 1 1138 . 1 1 96 96 LYS HE2 H 1 2.97 0.00 . 2 . . . . 96 LYS HE2 . 16270 1 1139 . 1 1 96 96 LYS HE3 H 1 2.97 0.00 . 2 . . . . 96 LYS HE3 . 16270 1 1140 . 1 1 96 96 LYS HG2 H 1 1.36 0.00 . 1 . . . . 96 LYS HG2 . 16270 1 1141 . 1 1 96 96 LYS HG3 H 1 1.30 0.00 . 1 . . . . 96 LYS HG3 . 16270 1 1142 . 1 1 96 96 LYS C C 13 176.80 0.00 . 1 . . . . 96 LYS C . 16270 1 1143 . 1 1 96 96 LYS CA C 13 54.74 0.00 . 1 . . . . 96 LYS CA . 16270 1 1144 . 1 1 96 96 LYS CB C 13 36.84 0.00 . 1 . . . . 96 LYS CB . 16270 1 1145 . 1 1 96 96 LYS CD C 13 29.97 0.00 . 1 . . . . 96 LYS CD . 16270 1 1146 . 1 1 96 96 LYS CE C 13 42.31 0.00 . 1 . . . . 96 LYS CE . 16270 1 1147 . 1 1 96 96 LYS CG C 13 24.85 0.00 . 1 . . . . 96 LYS CG . 16270 1 1148 . 1 1 96 96 LYS N N 15 120.24 0.00 . 1 . . . . 96 LYS N . 16270 1 1149 . 1 1 97 97 MET H H 1 9.24 0.00 . 1 . . . . 97 MET H . 16270 1 1150 . 1 1 97 97 MET HA H 1 4.59 0.00 . 1 . . . . 97 MET HA . 16270 1 1151 . 1 1 97 97 MET HB2 H 1 2.39 0.00 . 1 . . . . 97 MET HB2 . 16270 1 1152 . 1 1 97 97 MET HB3 H 1 2.22 0.00 . 1 . . . . 97 MET HB3 . 16270 1 1153 . 1 1 97 97 MET HE1 H 1 1.58 0.00 . 1 . . . . 97 MET HE . 16270 1 1154 . 1 1 97 97 MET HE2 H 1 1.58 0.00 . 1 . . . . 97 MET HE . 16270 1 1155 . 1 1 97 97 MET HE3 H 1 1.58 0.00 . 1 . . . . 97 MET HE . 16270 1 1156 . 1 1 97 97 MET C C 13 176.09 0.00 . 1 . . . . 97 MET C . 16270 1 1157 . 1 1 97 97 MET CA C 13 57.48 0.00 . 1 . . . . 97 MET CA . 16270 1 1158 . 1 1 97 97 MET CB C 13 32.70 0.00 . 1 . . . . 97 MET CB . 16270 1 1159 . 1 1 97 97 MET CE C 13 17.07 0.00 . 1 . . . . 97 MET CE . 16270 1 1160 . 1 1 97 97 MET CG C 13 32.90 0.00 . 1 . . . . 97 MET CG . 16270 1 1161 . 1 1 97 97 MET N N 15 125.38 0.00 . 1 . . . . 97 MET N . 16270 1 1162 . 1 1 98 98 THR H H 1 10.11 0.00 . 1 . . . . 98 THR H . 16270 1 1163 . 1 1 98 98 THR HA H 1 4.54 0.00 . 1 . . . . 98 THR HA . 16270 1 1164 . 1 1 98 98 THR HB H 1 4.21 0.00 . 1 . . . . 98 THR HB . 16270 1 1165 . 1 1 98 98 THR HG21 H 1 1.32 0.00 . 1 . . . . 98 THR HG2 . 16270 1 1166 . 1 1 98 98 THR HG22 H 1 1.32 0.00 . 1 . . . . 98 THR HG2 . 16270 1 1167 . 1 1 98 98 THR HG23 H 1 1.32 0.00 . 1 . . . . 98 THR HG2 . 16270 1 1168 . 1 1 98 98 THR C C 13 173.85 0.00 . 1 . . . . 98 THR C . 16270 1 1169 . 1 1 98 98 THR CA C 13 63.21 0.00 . 1 . . . . 98 THR CA . 16270 1 1170 . 1 1 98 98 THR CB C 13 71.18 0.00 . 1 . . . . 98 THR CB . 16270 1 1171 . 1 1 98 98 THR CG2 C 13 22.54 0.00 . 1 . . . . 98 THR CG2 . 16270 1 1172 . 1 1 98 98 THR N N 15 121.30 0.00 . 1 . . . . 98 THR N . 16270 1 1173 . 1 1 99 99 SER H H 1 7.84 0.00 . 1 . . . . 99 SER H . 16270 1 1174 . 1 1 99 99 SER HA H 1 4.63 0.00 . 1 . . . . 99 SER HA . 16270 1 1175 . 1 1 99 99 SER HB2 H 1 3.72 0.00 . 1 . . . . 99 SER HB2 . 16270 1 1176 . 1 1 99 99 SER HB3 H 1 3.60 0.00 . 1 . . . . 99 SER HB3 . 16270 1 1177 . 1 1 99 99 SER CA C 13 58.36 0.00 . 1 . . . . 99 SER CA . 16270 1 1178 . 1 1 99 99 SER CB C 13 65.11 0.00 . 1 . . . . 99 SER CB . 16270 1 1179 . 1 1 99 99 SER N N 15 115.35 0.00 . 1 . . . . 99 SER N . 16270 1 1180 . 1 1 100 100 ILE H H 1 8.12 0.00 . 1 . . . . 100 ILE H . 16270 1 1181 . 1 1 100 100 ILE HA H 1 4.70 0.00 . 1 . . . . 100 ILE HA . 16270 1 1182 . 1 1 100 100 ILE HB H 1 1.38 0.00 . 1 . . . . 100 ILE HB . 16270 1 1183 . 1 1 100 100 ILE HD11 H 1 0.75 0.00 . 1 . . . . 100 ILE HD1 . 16270 1 1184 . 1 1 100 100 ILE HD12 H 1 0.75 0.00 . 1 . . . . 100 ILE HD1 . 16270 1 1185 . 1 1 100 100 ILE HD13 H 1 0.75 0.00 . 1 . . . . 100 ILE HD1 . 16270 1 1186 . 1 1 100 100 ILE HG12 H 1 1.25 0.00 . 1 . . . . 100 ILE HG12 . 16270 1 1187 . 1 1 100 100 ILE HG13 H 1 0.87 0.00 . 1 . . . . 100 ILE HG13 . 16270 1 1188 . 1 1 100 100 ILE HG21 H 1 -0.01 0.00 . 1 . . . . 100 ILE HG2 . 16270 1 1189 . 1 1 100 100 ILE HG22 H 1 -0.01 0.00 . 1 . . . . 100 ILE HG2 . 16270 1 1190 . 1 1 100 100 ILE HG23 H 1 -0.01 0.00 . 1 . . . . 100 ILE HG2 . 16270 1 1191 . 1 1 100 100 ILE C C 13 175.82 0.00 . 1 . . . . 100 ILE C . 16270 1 1192 . 1 1 100 100 ILE CA C 13 61.42 0.00 . 1 . . . . 100 ILE CA . 16270 1 1193 . 1 1 100 100 ILE CB C 13 41.89 0.00 . 1 . . . . 100 ILE CB . 16270 1 1194 . 1 1 100 100 ILE CD1 C 13 14.79 0.00 . 1 . . . . 100 ILE CD1 . 16270 1 1195 . 1 1 100 100 ILE CG1 C 13 27.87 0.00 . 1 . . . . 100 ILE CG1 . 16270 1 1196 . 1 1 100 100 ILE CG2 C 13 17.17 0.00 . 1 . . . . 100 ILE CG2 . 16270 1 1197 . 1 1 100 100 ILE N N 15 125.66 0.00 . 1 . . . . 100 ILE N . 16270 1 1198 . 1 1 101 101 ARG H H 1 8.74 0.00 . 1 . . . . 101 ARG H . 16270 1 1199 . 1 1 101 101 ARG HA H 1 4.70 0.00 . 1 . . . . 101 ARG HA . 16270 1 1200 . 1 1 101 101 ARG HB3 H 1 1.67 0.00 . 1 . . . . 101 ARG HB3 . 16270 1 1201 . 1 1 101 101 ARG HD2 H 1 3.03 0.00 . 1 . . . . 101 ARG HD2 . 16270 1 1202 . 1 1 101 101 ARG HD3 H 1 2.96 0.00 . 1 . . . . 101 ARG HD3 . 16270 1 1203 . 1 1 101 101 ARG HG2 H 1 1.58 0.00 . 1 . . . . 101 ARG HG2 . 16270 1 1204 . 1 1 101 101 ARG HG3 H 1 1.68 0.00 . 1 . . . . 101 ARG HG3 . 16270 1 1205 . 1 1 101 101 ARG C C 13 173.57 0.00 . 1 . . . . 101 ARG C . 16270 1 1206 . 1 1 101 101 ARG CA C 13 55.11 0.00 . 1 . . . . 101 ARG CA . 16270 1 1207 . 1 1 101 101 ARG CB C 13 34.20 0.00 . 1 . . . . 101 ARG CB . 16270 1 1208 . 1 1 101 101 ARG CD C 13 44.08 0.00 . 1 . . . . 101 ARG CD . 16270 1 1209 . 1 1 101 101 ARG CG C 13 25.86 0.00 . 1 . . . . 101 ARG CG . 16270 1 1210 . 1 1 101 101 ARG N N 15 125.49 0.00 . 1 . . . . 101 ARG N . 16270 1 1211 . 1 1 102 102 ASP H H 1 8.42 0.00 . 1 . . . . 102 ASP H . 16270 1 1212 . 1 1 102 102 ASP HA H 1 5.69 0.00 . 1 . . . . 102 ASP HA . 16270 1 1213 . 1 1 102 102 ASP HB2 H 1 2.39 0.00 . 1 . . . . 102 ASP HB2 . 16270 1 1214 . 1 1 102 102 ASP HB3 H 1 2.57 0.00 . 1 . . . . 102 ASP HB3 . 16270 1 1215 . 1 1 102 102 ASP C C 13 175.91 0.00 . 1 . . . . 102 ASP C . 16270 1 1216 . 1 1 102 102 ASP CA C 13 53.05 0.00 . 1 . . . . 102 ASP CA . 16270 1 1217 . 1 1 102 102 ASP CB C 13 42.70 0.00 . 1 . . . . 102 ASP CB . 16270 1 1218 . 1 1 102 102 ASP N N 15 120.16 0.00 . 1 . . . . 102 ASP N . 16270 1 1219 . 1 1 103 103 VAL H H 1 9.20 0.00 . 1 . . . . 103 VAL H . 16270 1 1220 . 1 1 103 103 VAL HA H 1 4.83 0.00 . 1 . . . . 103 VAL HA . 16270 1 1221 . 1 1 103 103 VAL HB H 1 2.84 0.00 . 1 . . . . 103 VAL HB . 16270 1 1222 . 1 1 103 103 VAL HG11 H 1 0.78 0.00 . 1 . . . . 103 VAL HG1 . 16270 1 1223 . 1 1 103 103 VAL HG12 H 1 0.78 0.00 . 1 . . . . 103 VAL HG1 . 16270 1 1224 . 1 1 103 103 VAL HG13 H 1 0.78 0.00 . 1 . . . . 103 VAL HG1 . 16270 1 1225 . 1 1 103 103 VAL HG21 H 1 0.71 0.00 . 1 . . . . 103 VAL HG2 . 16270 1 1226 . 1 1 103 103 VAL HG22 H 1 0.71 0.00 . 1 . . . . 103 VAL HG2 . 16270 1 1227 . 1 1 103 103 VAL HG23 H 1 0.71 0.00 . 1 . . . . 103 VAL HG2 . 16270 1 1228 . 1 1 103 103 VAL CA C 13 59.14 0.00 . 1 . . . . 103 VAL CA . 16270 1 1229 . 1 1 103 103 VAL CB C 13 35.35 0.00 . 1 . . . . 103 VAL CB . 16270 1 1230 . 1 1 103 103 VAL CG1 C 13 21.83 0.00 . 1 . . . . 103 VAL CG1 . 16270 1 1231 . 1 1 103 103 VAL CG2 C 13 19.82 0.00 . 1 . . . . 103 VAL CG2 . 16270 1 1232 . 1 1 103 103 VAL N N 15 114.76 0.00 . 1 . . . . 103 VAL N . 16270 1 1233 . 1 1 104 104 LYS H H 1 8.76 0.00 . 1 . . . . 104 LYS H . 16270 1 1234 . 1 1 104 104 LYS HA H 1 5.08 0.00 . 1 . . . . 104 LYS HA . 16270 1 1235 . 1 1 104 104 LYS CA C 13 54.40 0.00 . 1 . . . . 104 LYS CA . 16270 1 1236 . 1 1 104 104 LYS N N 15 119.44 0.00 . 1 . . . . 104 LYS N . 16270 1 1237 . 1 1 105 105 PRO HA H 1 4.07 0.00 . 1 . . . . 105 PRO HA . 16270 1 1238 . 1 1 105 105 PRO HB3 H 1 2.28 0.00 . 1 . . . . 105 PRO HB3 . 16270 1 1239 . 1 1 105 105 PRO HD2 H 1 4.17 0.00 . 1 . . . . 105 PRO HD2 . 16270 1 1240 . 1 1 105 105 PRO HD3 H 1 3.84 0.00 . 1 . . . . 105 PRO HD3 . 16270 1 1241 . 1 1 105 105 PRO C C 13 176.52 0.00 . 1 . . . . 105 PRO C . 16270 1 1242 . 1 1 105 105 PRO CA C 13 65.50 0.00 . 1 . . . . 105 PRO CA . 16270 1 1243 . 1 1 105 105 PRO CB C 13 32.53 0.00 . 1 . . . . 105 PRO CB . 16270 1 1244 . 1 1 105 105 PRO CD C 13 51.30 0.00 . 1 . . . . 105 PRO CD . 16270 1 1245 . 1 1 105 105 PRO CG C 13 29.35 0.00 . 1 . . . . 105 PRO CG . 16270 1 1246 . 1 1 106 106 THR H H 1 6.70 0.00 . 1 . . . . 106 THR H . 16270 1 1247 . 1 1 106 106 THR HA H 1 4.47 0.00 . 1 . . . . 106 THR HA . 16270 1 1248 . 1 1 106 106 THR HB H 1 4.64 0.00 . 1 . . . . 106 THR HB . 16270 1 1249 . 1 1 106 106 THR HG21 H 1 1.26 0.00 . 1 . . . . 106 THR HG2 . 16270 1 1250 . 1 1 106 106 THR HG22 H 1 1.26 0.00 . 1 . . . . 106 THR HG2 . 16270 1 1251 . 1 1 106 106 THR HG23 H 1 1.26 0.00 . 1 . . . . 106 THR HG2 . 16270 1 1252 . 1 1 106 106 THR C C 13 175.04 0.00 . 1 . . . . 106 THR C . 16270 1 1253 . 1 1 106 106 THR CA C 13 60.59 0.00 . 1 . . . . 106 THR CA . 16270 1 1254 . 1 1 106 106 THR CB C 13 69.20 0.00 . 1 . . . . 106 THR CB . 16270 1 1255 . 1 1 106 106 THR CG2 C 13 22.43 0.00 . 1 . . . . 106 THR CG2 . 16270 1 1256 . 1 1 106 106 THR N N 15 133.76 0.00 . 1 . . . . 106 THR N . 16270 1 1257 . 1 1 107 107 ASP H H 1 7.80 0.00 . 1 . . . . 107 ASP H . 16270 1 1258 . 1 1 107 107 ASP HA H 1 4.91 0.00 . 1 . . . . 107 ASP HA . 16270 1 1259 . 1 1 107 107 ASP HB2 H 1 3.05 0.00 . 1 . . . . 107 ASP HB2 . 16270 1 1260 . 1 1 107 107 ASP HB3 H 1 2.64 0.00 . 1 . . . . 107 ASP HB3 . 16270 1 1261 . 1 1 107 107 ASP C C 13 176.66 0.00 . 1 . . . . 107 ASP C . 16270 1 1262 . 1 1 107 107 ASP CA C 13 54.51 0.00 . 1 . . . . 107 ASP CA . 16270 1 1263 . 1 1 107 107 ASP CB C 13 38.73 0.00 . 1 . . . . 107 ASP CB . 16270 1 1264 . 1 1 107 107 ASP N N 15 126.40 0.00 . 1 . . . . 107 ASP N . 16270 1 1265 . 1 1 108 108 VAL H H 1 8.14 0.00 . 1 . . . . 108 VAL H . 16270 1 1266 . 1 1 108 108 VAL HA H 1 3.82 0.00 . 1 . . . . 108 VAL HA . 16270 1 1267 . 1 1 108 108 VAL HB H 1 2.33 0.00 . 1 . . . . 108 VAL HB . 16270 1 1268 . 1 1 108 108 VAL HG11 H 1 0.93 0.00 . 1 . . . . 108 VAL HG1 . 16270 1 1269 . 1 1 108 108 VAL HG12 H 1 0.93 0.00 . 1 . . . . 108 VAL HG1 . 16270 1 1270 . 1 1 108 108 VAL HG13 H 1 0.93 0.00 . 1 . . . . 108 VAL HG1 . 16270 1 1271 . 1 1 108 108 VAL HG21 H 1 0.90 0.00 . 1 . . . . 108 VAL HG2 . 16270 1 1272 . 1 1 108 108 VAL HG22 H 1 0.90 0.00 . 1 . . . . 108 VAL HG2 . 16270 1 1273 . 1 1 108 108 VAL HG23 H 1 0.90 0.00 . 1 . . . . 108 VAL HG2 . 16270 1 1274 . 1 1 108 108 VAL C C 13 177.49 0.00 . 1 . . . . 108 VAL C . 16270 1 1275 . 1 1 108 108 VAL CA C 13 63.96 0.00 . 1 . . . . 108 VAL CA . 16270 1 1276 . 1 1 108 108 VAL CB C 13 31.50 0.00 . 1 . . . . 108 VAL CB . 16270 1 1277 . 1 1 108 108 VAL CG1 C 13 18.64 0.00 . 1 . . . . 108 VAL CG1 . 16270 1 1278 . 1 1 108 108 VAL CG2 C 13 21.88 0.00 . 1 . . . . 108 VAL CG2 . 16270 1 1279 . 1 1 108 108 VAL N N 15 114.22 0.00 . 1 . . . . 108 VAL N . 16270 1 1280 . 1 1 109 109 GLY H H 1 9.01 0.00 . 1 . . . . 109 GLY H . 16270 1 1281 . 1 1 109 109 GLY HA2 H 1 4.05 0.00 . 1 . . . . 109 GLY HA2 . 16270 1 1282 . 1 1 109 109 GLY HA3 H 1 3.89 0.00 . 1 . . . . 109 GLY HA3 . 16270 1 1283 . 1 1 109 109 GLY C C 13 176.14 0.00 . 1 . . . . 109 GLY C . 16270 1 1284 . 1 1 109 109 GLY CA C 13 46.52 0.00 . 1 . . . . 109 GLY CA . 16270 1 1285 . 1 1 109 109 GLY N N 15 113.24 0.00 . 1 . . . . 109 GLY N . 16270 1 1286 . 1 1 110 110 VAL H H 1 7.21 0.00 . 1 . . . . 110 VAL H . 16270 1 1287 . 1 1 110 110 VAL HA H 1 3.96 0.00 . 1 . . . . 110 VAL HA . 16270 1 1288 . 1 1 110 110 VAL HB H 1 2.20 0.00 . 1 . . . . 110 VAL HB . 16270 1 1289 . 1 1 110 110 VAL HG11 H 1 0.98 0.00 . 1 . . . . 110 VAL HG1 . 16270 1 1290 . 1 1 110 110 VAL HG12 H 1 0.98 0.00 . 1 . . . . 110 VAL HG1 . 16270 1 1291 . 1 1 110 110 VAL HG13 H 1 0.98 0.00 . 1 . . . . 110 VAL HG1 . 16270 1 1292 . 1 1 110 110 VAL HG21 H 1 0.93 0.00 . 1 . . . . 110 VAL HG2 . 16270 1 1293 . 1 1 110 110 VAL HG22 H 1 0.93 0.00 . 1 . . . . 110 VAL HG2 . 16270 1 1294 . 1 1 110 110 VAL HG23 H 1 0.93 0.00 . 1 . . . . 110 VAL HG2 . 16270 1 1295 . 1 1 110 110 VAL C C 13 176.87 0.00 . 1 . . . . 110 VAL C . 16270 1 1296 . 1 1 110 110 VAL CA C 13 63.96 0.00 . 1 . . . . 110 VAL CA . 16270 1 1297 . 1 1 110 110 VAL CB C 13 31.51 0.00 . 1 . . . . 110 VAL CB . 16270 1 1298 . 1 1 110 110 VAL CG1 C 13 21.84 0.00 . 1 . . . . 110 VAL CG1 . 16270 1 1299 . 1 1 110 110 VAL CG2 C 13 20.35 0.00 . 1 . . . . 110 VAL CG2 . 16270 1 1300 . 1 1 110 110 VAL N N 15 114.52 0.00 . 1 . . . . 110 VAL N . 16270 1 1301 . 1 1 111 111 LEU H H 1 7.64 0.00 . 1 . . . . 111 LEU H . 16270 1 1302 . 1 1 111 111 LEU HA H 1 4.13 0.00 . 1 . . . . 111 LEU HA . 16270 1 1303 . 1 1 111 111 LEU HB2 H 1 1.85 0.00 . 1 . . . . 111 LEU HB2 . 16270 1 1304 . 1 1 111 111 LEU HB3 H 1 1.59 0.00 . 1 . . . . 111 LEU HB3 . 16270 1 1305 . 1 1 111 111 LEU HD11 H 1 0.82 0.00 . 1 . . . . 111 LEU HD1 . 16270 1 1306 . 1 1 111 111 LEU HD12 H 1 0.82 0.00 . 1 . . . . 111 LEU HD1 . 16270 1 1307 . 1 1 111 111 LEU HD13 H 1 0.82 0.00 . 1 . . . . 111 LEU HD1 . 16270 1 1308 . 1 1 111 111 LEU HD21 H 1 0.64 0.00 . 1 . . . . 111 LEU HD2 . 16270 1 1309 . 1 1 111 111 LEU HD22 H 1 0.64 0.00 . 1 . . . . 111 LEU HD2 . 16270 1 1310 . 1 1 111 111 LEU HD23 H 1 0.64 0.00 . 1 . . . . 111 LEU HD2 . 16270 1 1311 . 1 1 111 111 LEU HG H 1 1.50 0.00 . 1 . . . . 111 LEU HG . 16270 1 1312 . 1 1 111 111 LEU C C 13 178.11 0.00 . 1 . . . . 111 LEU C . 16270 1 1313 . 1 1 111 111 LEU CA C 13 54.98 0.00 . 1 . . . . 111 LEU CA . 16270 1 1314 . 1 1 111 111 LEU CB C 13 41.53 0.00 . 1 . . . . 111 LEU CB . 16270 1 1315 . 1 1 111 111 LEU CD1 C 13 25.57 0.00 . 1 . . . . 111 LEU CD1 . 16270 1 1316 . 1 1 111 111 LEU CD2 C 13 23.10 0.00 . 1 . . . . 111 LEU CD2 . 16270 1 1317 . 1 1 111 111 LEU CG C 13 27.01 0.00 . 1 . . . . 111 LEU CG . 16270 1 1318 . 1 1 111 111 LEU N N 15 116.31 0.00 . 1 . . . . 111 LEU N . 16270 1 1319 . 1 1 112 112 ASP H H 1 7.47 0.00 . 1 . . . . 112 ASP H . 16270 1 1320 . 1 1 112 112 ASP HA H 1 4.54 0.00 . 1 . . . . 112 ASP HA . 16270 1 1321 . 1 1 112 112 ASP HB2 H 1 2.72 0.00 . 1 . . . . 112 ASP HB2 . 16270 1 1322 . 1 1 112 112 ASP HB3 H 1 2.69 0.00 . 1 . . . . 112 ASP HB3 . 16270 1 1323 . 1 1 112 112 ASP C C 13 177.04 0.00 . 1 . . . . 112 ASP C . 16270 1 1324 . 1 1 112 112 ASP CA C 13 55.73 0.00 . 1 . . . . 112 ASP CA . 16270 1 1325 . 1 1 112 112 ASP CB C 13 41.26 0.00 . 1 . . . . 112 ASP CB . 16270 1 1326 . 1 1 112 112 ASP N N 15 120.59 0.00 . 1 . . . . 112 ASP N . 16270 1 1327 . 1 1 113 113 GLU H H 1 8.78 0.00 . 1 . . . . 113 GLU H . 16270 1 1328 . 1 1 113 113 GLU HA H 1 4.69 0.00 . 1 . . . . 113 GLU HA . 16270 1 1329 . 1 1 113 113 GLU HB2 H 1 2.04 0.00 . 1 . . . . 113 GLU HB2 . 16270 1 1330 . 1 1 113 113 GLU HB3 H 1 1.90 0.00 . 1 . . . . 113 GLU HB3 . 16270 1 1331 . 1 1 113 113 GLU HG3 H 1 2.29 0.00 . 1 . . . . 113 GLU HG3 . 16270 1 1332 . 1 1 113 113 GLU C C 13 177.25 0.00 . 1 . . . . 113 GLU C . 16270 1 1333 . 1 1 113 113 GLU CA C 13 56.34 0.00 . 1 . . . . 113 GLU CA . 16270 1 1334 . 1 1 113 113 GLU CB C 13 31.94 0.00 . 1 . . . . 113 GLU CB . 16270 1 1335 . 1 1 113 113 GLU CG C 13 36.86 0.00 . 1 . . . . 113 GLU CG . 16270 1 1336 . 1 1 113 113 GLU N N 15 121.10 0.00 . 1 . . . . 113 GLU N . 16270 1 1337 . 1 1 114 114 GLN H H 1 8.57 0.00 . 1 . . . . 114 GLN H . 16270 1 1338 . 1 1 114 114 GLN HA H 1 4.36 0.00 . 1 . . . . 114 GLN HA . 16270 1 1339 . 1 1 114 114 GLN HB2 H 1 1.89 0.00 . 1 . . . . 114 GLN HB2 . 16270 1 1340 . 1 1 114 114 GLN HB3 H 1 1.72 0.00 . 1 . . . . 114 GLN HB3 . 16270 1 1341 . 1 1 114 114 GLN HE21 H 1 7.30 0.00 . 1 . . . . 114 GLN HE22 . 16270 1 1342 . 1 1 114 114 GLN HE22 H 1 6.76 0.00 . 1 . . . . 114 GLN HE23 . 16270 1 1343 . 1 1 114 114 GLN HG2 H 1 2.25 0.00 . 1 . . . . 114 GLN HG2 . 16270 1 1344 . 1 1 114 114 GLN HG3 H 1 2.21 0.00 . 1 . . . . 114 GLN HG3 . 16270 1 1345 . 1 1 114 114 GLN C C 13 175.22 0.00 . 1 . . . . 114 GLN C . 16270 1 1346 . 1 1 114 114 GLN CA C 13 53.74 0.00 . 1 . . . . 114 GLN CA . 16270 1 1347 . 1 1 114 114 GLN CB C 13 28.60 0.00 . 1 . . . . 114 GLN CB . 16270 1 1348 . 1 1 114 114 GLN CG C 13 33.36 0.00 . 1 . . . . 114 GLN CG . 16270 1 1349 . 1 1 114 114 GLN N N 15 124.57 0.00 . 1 . . . . 114 GLN N . 16270 1 1350 . 1 1 114 114 GLN NE2 N 15 113.31 0.00 . 1 . . . . 114 GLN NE2 . 16270 1 1351 . 1 1 115 115 LYS H H 1 8.17 0.00 . 1 . . . . 115 LYS H . 16270 1 1352 . 1 1 115 115 LYS HA H 1 3.98 0.00 . 1 . . . . 115 LYS HA . 16270 1 1353 . 1 1 115 115 LYS HB3 H 1 1.73 0.00 . 1 . . . . 115 LYS HB3 . 16270 1 1354 . 1 1 115 115 LYS HG3 H 1 1.42 0.00 . 1 . . . . 115 LYS HG3 . 16270 1 1355 . 1 1 115 115 LYS CA C 13 58.47 0.00 . 1 . . . . 115 LYS CA . 16270 1 1356 . 1 1 115 115 LYS CB C 13 32.01 0.00 . 1 . . . . 115 LYS CB . 16270 1 1357 . 1 1 115 115 LYS N N 15 122.08 0.00 . 1 . . . . 115 LYS N . 16270 1 1358 . 1 1 116 116 GLY H H 1 8.73 0.00 . 1 . . . . 116 GLY H . 16270 1 1359 . 1 1 116 116 GLY HA2 H 1 4.16 0.00 . 1 . . . . 116 GLY HA2 . 16270 1 1360 . 1 1 116 116 GLY HA3 H 1 3.78 0.00 . 1 . . . . 116 GLY HA3 . 16270 1 1361 . 1 1 116 116 GLY C C 13 174.22 0.00 . 1 . . . . 116 GLY C . 16270 1 1362 . 1 1 116 116 GLY CA C 13 45.59 0.00 . 1 . . . . 116 GLY CA . 16270 1 1363 . 1 1 116 116 GLY N N 15 112.14 0.00 . 1 . . . . 116 GLY N . 16270 1 1364 . 1 1 117 117 LYS H H 1 7.50 0.00 . 1 . . . . 117 LYS H . 16270 1 1365 . 1 1 117 117 LYS HA H 1 4.53 0.00 . 1 . . . . 117 LYS HA . 16270 1 1366 . 1 1 117 117 LYS HB2 H 1 1.93 0.00 . 1 . . . . 117 LYS HB2 . 16270 1 1367 . 1 1 117 117 LYS HB3 H 1 1.82 0.00 . 1 . . . . 117 LYS HB3 . 16270 1 1368 . 1 1 117 117 LYS HD2 H 1 1.71 0.00 . 1 . . . . 117 LYS HD2 . 16270 1 1369 . 1 1 117 117 LYS HD3 H 1 1.59 0.00 . 1 . . . . 117 LYS HD3 . 16270 1 1370 . 1 1 117 117 LYS HE2 H 1 2.98 0.00 . 2 . . . . 117 LYS HE2 . 16270 1 1371 . 1 1 117 117 LYS HE3 H 1 2.98 0.00 . 2 . . . . 117 LYS HE3 . 16270 1 1372 . 1 1 117 117 LYS HG2 H 1 1.44 0.00 . 1 . . . . 117 LYS HG2 . 16270 1 1373 . 1 1 117 117 LYS HG3 H 1 1.29 0.00 . 1 . . . . 117 LYS HG3 . 16270 1 1374 . 1 1 117 117 LYS C C 13 176.28 0.00 . 1 . . . . 117 LYS C . 16270 1 1375 . 1 1 117 117 LYS CA C 13 55.44 0.00 . 1 . . . . 117 LYS CA . 16270 1 1376 . 1 1 117 117 LYS CB C 13 34.02 0.00 . 1 . . . . 117 LYS CB . 16270 1 1377 . 1 1 117 117 LYS CD C 13 28.67 0.00 . 1 . . . . 117 LYS CD . 16270 1 1378 . 1 1 117 117 LYS CE C 13 42.52 0.00 . 1 . . . . 117 LYS CE . 16270 1 1379 . 1 1 117 117 LYS CG C 13 25.34 0.00 . 1 . . . . 117 LYS CG . 16270 1 1380 . 1 1 117 117 LYS N N 15 119.37 0.00 . 1 . . . . 117 LYS N . 16270 1 1381 . 1 1 118 118 ASP H H 1 8.14 0.00 . 1 . . . . 118 ASP H . 16270 1 1382 . 1 1 118 118 ASP HA H 1 4.58 0.00 . 1 . . . . 118 ASP HA . 16270 1 1383 . 1 1 118 118 ASP HB2 H 1 2.91 0.00 . 1 . . . . 118 ASP HB2 . 16270 1 1384 . 1 1 118 118 ASP HB3 H 1 2.47 0.00 . 1 . . . . 118 ASP HB3 . 16270 1 1385 . 1 1 118 118 ASP C C 13 176.57 0.00 . 1 . . . . 118 ASP C . 16270 1 1386 . 1 1 118 118 ASP CA C 13 55.07 0.00 . 1 . . . . 118 ASP CA . 16270 1 1387 . 1 1 118 118 ASP CB C 13 42.05 0.00 . 1 . . . . 118 ASP CB . 16270 1 1388 . 1 1 118 118 ASP N N 15 119.75 0.00 . 1 . . . . 118 ASP N . 16270 1 1389 . 1 1 119 119 LYS H H 1 8.85 0.00 . 1 . . . . 119 LYS H . 16270 1 1390 . 1 1 119 119 LYS HA H 1 4.64 0.00 . 1 . . . . 119 LYS HA . 16270 1 1391 . 1 1 119 119 LYS HB2 H 1 2.42 0.00 . 1 . . . . 119 LYS HB2 . 16270 1 1392 . 1 1 119 119 LYS HB3 H 1 1.88 0.00 . 1 . . . . 119 LYS HB3 . 16270 1 1393 . 1 1 119 119 LYS HD2 H 1 1.79 0.00 . 2 . . . . 119 LYS HD2 . 16270 1 1394 . 1 1 119 119 LYS HD3 H 1 1.79 0.00 . 2 . . . . 119 LYS HD3 . 16270 1 1395 . 1 1 119 119 LYS HE2 H 1 3.04 0.00 . 1 . . . . 119 LYS HE2 . 16270 1 1396 . 1 1 119 119 LYS HE3 H 1 2.93 0.00 . 1 . . . . 119 LYS HE3 . 16270 1 1397 . 1 1 119 119 LYS HG2 H 1 1.81 0.00 . 1 . . . . 119 LYS HG2 . 16270 1 1398 . 1 1 119 119 LYS HG3 H 1 1.56 0.00 . 1 . . . . 119 LYS HG3 . 16270 1 1399 . 1 1 119 119 LYS C C 13 175.84 0.00 . 1 . . . . 119 LYS C . 16270 1 1400 . 1 1 119 119 LYS CA C 13 58.22 0.00 . 1 . . . . 119 LYS CA . 16270 1 1401 . 1 1 119 119 LYS CB C 13 33.31 0.00 . 1 . . . . 119 LYS CB . 16270 1 1402 . 1 1 119 119 LYS CD C 13 29.59 0.00 . 1 . . . . 119 LYS CD . 16270 1 1403 . 1 1 119 119 LYS CE C 13 42.80 0.00 . 1 . . . . 119 LYS CE . 16270 1 1404 . 1 1 119 119 LYS CG C 13 27.12 0.00 . 1 . . . . 119 LYS CG . 16270 1 1405 . 1 1 119 119 LYS N N 15 121.96 0.00 . 1 . . . . 119 LYS N . 16270 1 1406 . 1 1 120 120 GLN H H 1 9.60 0.00 . 1 . . . . 120 GLN H . 16270 1 1407 . 1 1 120 120 GLN HA H 1 5.79 0.00 . 1 . . . . 120 GLN HA . 16270 1 1408 . 1 1 120 120 GLN HB2 H 1 1.94 0.00 . 2 . . . . 120 GLN HB2 . 16270 1 1409 . 1 1 120 120 GLN HB3 H 1 1.94 0.00 . 2 . . . . 120 GLN HB3 . 16270 1 1410 . 1 1 120 120 GLN HE21 H 1 6.41 0.00 . 1 . . . . 120 GLN HE22 . 16270 1 1411 . 1 1 120 120 GLN HE22 H 1 6.23 0.00 . 1 . . . . 120 GLN HE23 . 16270 1 1412 . 1 1 120 120 GLN HG2 H 1 2.48 0.00 . 1 . . . . 120 GLN HG2 . 16270 1 1413 . 1 1 120 120 GLN HG3 H 1 2.02 0.00 . 1 . . . . 120 GLN HG3 . 16270 1 1414 . 1 1 120 120 GLN C C 13 174.44 0.00 . 1 . . . . 120 GLN C . 16270 1 1415 . 1 1 120 120 GLN CA C 13 54.19 0.00 . 1 . . . . 120 GLN CA . 16270 1 1416 . 1 1 120 120 GLN CB C 13 34.68 0.00 . 1 . . . . 120 GLN CB . 16270 1 1417 . 1 1 120 120 GLN CG C 13 33.20 0.00 . 1 . . . . 120 GLN CG . 16270 1 1418 . 1 1 120 120 GLN N N 15 116.35 0.00 . 1 . . . . 120 GLN N . 16270 1 1419 . 1 1 120 120 GLN NE2 N 15 112.69 0.00 . 1 . . . . 120 GLN NE2 . 16270 1 1420 . 1 1 121 121 LEU H H 1 8.92 0.00 . 1 . . . . 121 LEU H . 16270 1 1421 . 1 1 121 121 LEU HA H 1 5.34 0.00 . 1 . . . . 121 LEU HA . 16270 1 1422 . 1 1 121 121 LEU HB3 H 1 0.85 0.00 . 1 . . . . 121 LEU HB3 . 16270 1 1423 . 1 1 121 121 LEU HD11 H 1 0.28 0.00 . 1 . . . . 121 LEU HD1 . 16270 1 1424 . 1 1 121 121 LEU HD12 H 1 0.28 0.00 . 1 . . . . 121 LEU HD1 . 16270 1 1425 . 1 1 121 121 LEU HD13 H 1 0.28 0.00 . 1 . . . . 121 LEU HD1 . 16270 1 1426 . 1 1 121 121 LEU HD21 H 1 0.01 0.00 . 1 . . . . 121 LEU HD2 . 16270 1 1427 . 1 1 121 121 LEU HD22 H 1 0.01 0.00 . 1 . . . . 121 LEU HD2 . 16270 1 1428 . 1 1 121 121 LEU HD23 H 1 0.01 0.00 . 1 . . . . 121 LEU HD2 . 16270 1 1429 . 1 1 121 121 LEU HG H 1 0.14 0.00 . 1 . . . . 121 LEU HG . 16270 1 1430 . 1 1 121 121 LEU C C 13 176.49 0.00 . 1 . . . . 121 LEU C . 16270 1 1431 . 1 1 121 121 LEU CA C 13 53.13 0.00 . 1 . . . . 121 LEU CA . 16270 1 1432 . 1 1 121 121 LEU CB C 13 45.89 0.00 . 1 . . . . 121 LEU CB . 16270 1 1433 . 1 1 121 121 LEU CD1 C 13 24.00 0.00 . 1 . . . . 121 LEU CD1 . 16270 1 1434 . 1 1 121 121 LEU CD2 C 13 27.07 0.00 . 1 . . . . 121 LEU CD2 . 16270 1 1435 . 1 1 121 121 LEU CG C 13 26.12 0.00 . 1 . . . . 121 LEU CG . 16270 1 1436 . 1 1 121 121 LEU N N 15 121.11 0.00 . 1 . . . . 121 LEU N . 16270 1 1437 . 1 1 122 122 THR H H 1 8.91 0.00 . 1 . . . . 122 THR H . 16270 1 1438 . 1 1 122 122 THR HA H 1 4.69 0.00 . 1 . . . . 122 THR HA . 16270 1 1439 . 1 1 122 122 THR HB H 1 4.17 0.00 . 1 . . . . 122 THR HB . 16270 1 1440 . 1 1 122 122 THR HG1 H 1 7.20 0.00 . 1 . . . . 122 THR HG1 . 16270 1 1441 . 1 1 122 122 THR HG21 H 1 0.91 0.00 . 1 . . . . 122 THR HG2 . 16270 1 1442 . 1 1 122 122 THR HG22 H 1 0.91 0.00 . 1 . . . . 122 THR HG2 . 16270 1 1443 . 1 1 122 122 THR HG23 H 1 0.91 0.00 . 1 . . . . 122 THR HG2 . 16270 1 1444 . 1 1 122 122 THR C C 13 173.35 0.00 . 1 . . . . 122 THR C . 16270 1 1445 . 1 1 122 122 THR CA C 13 62.75 0.00 . 1 . . . . 122 THR CA . 16270 1 1446 . 1 1 122 122 THR CB C 13 69.71 0.00 . 1 . . . . 122 THR CB . 16270 1 1447 . 1 1 122 122 THR CG2 C 13 22.17 0.00 . 1 . . . . 122 THR CG2 . 16270 1 1448 . 1 1 122 122 THR N N 15 119.81 0.00 . 1 . . . . 122 THR N . 16270 1 1449 . 1 1 123 123 LEU H H 1 9.68 0.00 . 1 . . . . 123 LEU H . 16270 1 1450 . 1 1 123 123 LEU HA H 1 5.43 0.00 . 1 . . . . 123 LEU HA . 16270 1 1451 . 1 1 123 123 LEU HB2 H 1 1.77 0.00 . 1 . . . . 123 LEU HB2 . 16270 1 1452 . 1 1 123 123 LEU HB3 H 1 0.81 0.00 . 1 . . . . 123 LEU HB3 . 16270 1 1453 . 1 1 123 123 LEU HD11 H 1 0.46 0.00 . 1 . . . . 123 LEU HD1 . 16270 1 1454 . 1 1 123 123 LEU HD12 H 1 0.46 0.00 . 1 . . . . 123 LEU HD1 . 16270 1 1455 . 1 1 123 123 LEU HD13 H 1 0.46 0.00 . 1 . . . . 123 LEU HD1 . 16270 1 1456 . 1 1 123 123 LEU HD21 H 1 0.30 0.00 . 1 . . . . 123 LEU HD2 . 16270 1 1457 . 1 1 123 123 LEU HD22 H 1 0.30 0.00 . 1 . . . . 123 LEU HD2 . 16270 1 1458 . 1 1 123 123 LEU HD23 H 1 0.30 0.00 . 1 . . . . 123 LEU HD2 . 16270 1 1459 . 1 1 123 123 LEU HG H 1 1.45 0.00 . 1 . . . . 123 LEU HG . 16270 1 1460 . 1 1 123 123 LEU C C 13 175.88 0.00 . 1 . . . . 123 LEU C . 16270 1 1461 . 1 1 123 123 LEU CA C 13 53.20 0.00 . 1 . . . . 123 LEU CA . 16270 1 1462 . 1 1 123 123 LEU CB C 13 41.90 0.00 . 1 . . . . 123 LEU CB . 16270 1 1463 . 1 1 123 123 LEU CD1 C 13 25.07 0.00 . 1 . . . . 123 LEU CD1 . 16270 1 1464 . 1 1 123 123 LEU CD2 C 13 26.04 0.00 . 1 . . . . 123 LEU CD2 . 16270 1 1465 . 1 1 123 123 LEU CG C 13 27.55 0.00 . 1 . . . . 123 LEU CG . 16270 1 1466 . 1 1 123 123 LEU N N 15 127.58 0.00 . 1 . . . . 123 LEU N . 16270 1 1467 . 1 1 124 124 ILE H H 1 8.98 0.00 . 1 . . . . 124 ILE H . 16270 1 1468 . 1 1 124 124 ILE HA H 1 4.87 0.00 . 1 . . . . 124 ILE HA . 16270 1 1469 . 1 1 124 124 ILE HB H 1 1.55 0.00 . 1 . . . . 124 ILE HB . 16270 1 1470 . 1 1 124 124 ILE HD11 H 1 0.62 0.00 . 1 . . . . 124 ILE HD1 . 16270 1 1471 . 1 1 124 124 ILE HD12 H 1 0.62 0.00 . 1 . . . . 124 ILE HD1 . 16270 1 1472 . 1 1 124 124 ILE HD13 H 1 0.62 0.00 . 1 . . . . 124 ILE HD1 . 16270 1 1473 . 1 1 124 124 ILE HG12 H 1 0.77 0.00 . 2 . . . . 124 ILE HG12 . 16270 1 1474 . 1 1 124 124 ILE HG13 H 1 0.77 0.00 . 2 . . . . 124 ILE HG13 . 16270 1 1475 . 1 1 124 124 ILE HG21 H 1 0.80 0.00 . 1 . . . . 124 ILE HG2 . 16270 1 1476 . 1 1 124 124 ILE HG22 H 1 0.80 0.00 . 1 . . . . 124 ILE HG2 . 16270 1 1477 . 1 1 124 124 ILE HG23 H 1 0.80 0.00 . 1 . . . . 124 ILE HG2 . 16270 1 1478 . 1 1 124 124 ILE C C 13 177.14 0.00 . 1 . . . . 124 ILE C . 16270 1 1479 . 1 1 124 124 ILE CA C 13 61.70 0.00 . 1 . . . . 124 ILE CA . 16270 1 1480 . 1 1 124 124 ILE CB C 13 42.77 0.00 . 1 . . . . 124 ILE CB . 16270 1 1481 . 1 1 124 124 ILE CD1 C 13 16.08 0.00 . 1 . . . . 124 ILE CD1 . 16270 1 1482 . 1 1 124 124 ILE CG1 C 13 27.73 0.00 . 1 . . . . 124 ILE CG1 . 16270 1 1483 . 1 1 124 124 ILE CG2 C 13 18.52 0.00 . 1 . . . . 124 ILE CG2 . 16270 1 1484 . 1 1 124 124 ILE N N 15 122.28 0.00 . 1 . . . . 124 ILE N . 16270 1 1485 . 1 1 125 125 THR H H 1 8.47 0.00 . 1 . . . . 125 THR H . 16270 1 1486 . 1 1 125 125 THR HA H 1 4.86 0.00 . 1 . . . . 125 THR HA . 16270 1 1487 . 1 1 125 125 THR HB H 1 4.36 0.00 . 1 . . . . 125 THR HB . 16270 1 1488 . 1 1 125 125 THR HG21 H 1 1.33 0.00 . 1 . . . . 125 THR HG2 . 16270 1 1489 . 1 1 125 125 THR HG22 H 1 1.33 0.00 . 1 . . . . 125 THR HG2 . 16270 1 1490 . 1 1 125 125 THR HG23 H 1 1.33 0.00 . 1 . . . . 125 THR HG2 . 16270 1 1491 . 1 1 125 125 THR C C 13 173.35 0.00 . 1 . . . . 125 THR C . 16270 1 1492 . 1 1 125 125 THR CA C 13 60.21 0.00 . 1 . . . . 125 THR CA . 16270 1 1493 . 1 1 125 125 THR CB C 13 71.84 0.00 . 1 . . . . 125 THR CB . 16270 1 1494 . 1 1 125 125 THR CG2 C 13 18.17 0.00 . 1 . . . . 125 THR CG2 . 16270 1 1495 . 1 1 125 125 THR N N 15 117.83 0.00 . 1 . . . . 125 THR N . 16270 1 1496 . 1 1 126 126 CYS H H 1 8.13 0.00 . 1 . . . . 126 CYS H . 16270 1 1497 . 1 1 126 126 CYS HA H 1 5.01 0.00 . 1 . . . . 126 CYS HA . 16270 1 1498 . 1 1 126 126 CYS HB2 H 1 3.21 0.00 . 1 . . . . 126 CYS HB2 . 16270 1 1499 . 1 1 126 126 CYS HB3 H 1 2.72 0.00 . 1 . . . . 126 CYS HB3 . 16270 1 1500 . 1 1 126 126 CYS C C 13 172.56 0.00 . 1 . . . . 126 CYS C . 16270 1 1501 . 1 1 126 126 CYS CA C 13 54.44 0.00 . 1 . . . . 126 CYS CA . 16270 1 1502 . 1 1 126 126 CYS CB C 13 44.25 0.00 . 1 . . . . 126 CYS CB . 16270 1 1503 . 1 1 126 126 CYS N N 15 118.63 0.00 . 1 . . . . 126 CYS N . 16270 1 1504 . 1 1 127 127 ASP H H 1 7.96 0.00 . 1 . . . . 127 ASP H . 16270 1 1505 . 1 1 127 127 ASP HA H 1 5.12 0.00 . 1 . . . . 127 ASP HA . 16270 1 1506 . 1 1 127 127 ASP HB2 H 1 2.28 0.00 . 1 . . . . 127 ASP HB2 . 16270 1 1507 . 1 1 127 127 ASP HB3 H 1 2.60 0.00 . 1 . . . . 127 ASP HB3 . 16270 1 1508 . 1 1 127 127 ASP C C 13 174.82 0.00 . 1 . . . . 127 ASP C . 16270 1 1509 . 1 1 127 127 ASP CA C 13 53.50 0.00 . 1 . . . . 127 ASP CA . 16270 1 1510 . 1 1 127 127 ASP CB C 13 45.60 0.00 . 1 . . . . 127 ASP CB . 16270 1 1511 . 1 1 127 127 ASP N N 15 115.90 0.00 . 1 . . . . 127 ASP N . 16270 1 1512 . 1 1 128 128 ASP H H 1 8.88 0.00 . 1 . . . . 128 ASP H . 16270 1 1513 . 1 1 128 128 ASP HA H 1 4.28 0.00 . 1 . . . . 128 ASP HA . 16270 1 1514 . 1 1 128 128 ASP HB2 H 1 3.19 0.00 . 1 . . . . 128 ASP HB2 . 16270 1 1515 . 1 1 128 128 ASP HB3 H 1 2.40 0.00 . 1 . . . . 128 ASP HB3 . 16270 1 1516 . 1 1 128 128 ASP C C 13 174.82 0.00 . 1 . . . . 128 ASP C . 16270 1 1517 . 1 1 128 128 ASP CA C 13 54.99 0.00 . 1 . . . . 128 ASP CA . 16270 1 1518 . 1 1 128 128 ASP CB C 13 39.63 0.00 . 1 . . . . 128 ASP CB . 16270 1 1519 . 1 1 128 128 ASP N N 15 120.83 0.00 . 1 . . . . 128 ASP N . 16270 1 1520 . 1 1 129 129 TYR H H 1 8.30 0.00 . 1 . . . . 129 TYR H . 16270 1 1521 . 1 1 129 129 TYR HA H 1 3.74 0.00 . 1 . . . . 129 TYR HA . 16270 1 1522 . 1 1 129 129 TYR HB2 H 1 2.00 0.00 . 1 . . . . 129 TYR HB2 . 16270 1 1523 . 1 1 129 129 TYR HD1 H 1 5.58 0.00 . 3 . . . . 129 TYR HD1 . 16270 1 1524 . 1 1 129 129 TYR HE1 H 1 6.28 0.00 . 3 . . . . 129 TYR HE1 . 16270 1 1525 . 1 1 129 129 TYR C C 13 175.32 0.00 . 1 . . . . 129 TYR C . 16270 1 1526 . 1 1 129 129 TYR CD1 C 13 132.30 0.00 . 3 . . . . 129 TYR CD1 . 16270 1 1527 . 1 1 129 129 TYR CE1 C 13 116.91 0.00 . 3 . . . . 129 TYR CE1 . 16270 1 1528 . 1 1 129 129 TYR N N 15 123.90 0.00 . 1 . . . . 129 TYR N . 16270 1 1529 . 1 1 130 130 ASN H H 1 8.11 0.00 . 1 . . . . 130 ASN H . 16270 1 1530 . 1 1 130 130 ASN HA H 1 4.45 0.00 . 1 . . . . 130 ASN HA . 16270 1 1531 . 1 1 130 130 ASN HB2 H 1 3.18 0.00 . 1 . . . . 130 ASN HB2 . 16270 1 1532 . 1 1 130 130 ASN HB3 H 1 2.44 0.00 . 1 . . . . 130 ASN HB3 . 16270 1 1533 . 1 1 130 130 ASN HD21 H 1 7.75 0.00 . 1 . . . . 130 ASN HD22 . 16270 1 1534 . 1 1 130 130 ASN HD22 H 1 6.82 0.00 . 1 . . . . 130 ASN HD23 . 16270 1 1535 . 1 1 130 130 ASN C C 13 174.82 0.00 . 1 . . . . 130 ASN C . 16270 1 1536 . 1 1 130 130 ASN CA C 13 51.64 0.00 . 1 . . . . 130 ASN CA . 16270 1 1537 . 1 1 130 130 ASN CB C 13 38.95 0.00 . 1 . . . . 130 ASN CB . 16270 1 1538 . 1 1 130 130 ASN N N 15 130.09 0.00 . 1 . . . . 130 ASN N . 16270 1 1539 . 1 1 130 130 ASN ND2 N 15 113.34 0.00 . 1 . . . . 130 ASN ND2 . 16270 1 1540 . 1 1 131 131 GLU H H 1 8.65 0.00 . 1 . . . . 131 GLU H . 16270 1 1541 . 1 1 131 131 GLU HA H 1 3.63 0.00 . 1 . . . . 131 GLU HA . 16270 1 1542 . 1 1 131 131 GLU HB2 H 1 2.01 0.00 . 2 . . . . 131 GLU HB1|HB2 . 16270 1 1543 . 1 1 131 131 GLU HG2 H 1 2.30 0.00 . 2 . . . . 131 GLU HG1|HG2 . 16270 1 1544 . 1 1 131 131 GLU C C 13 177.71 0.00 . 1 . . . . 131 GLU C . 16270 1 1545 . 1 1 131 131 GLU CA C 13 58.20 0.00 . 1 . . . . 131 GLU CA . 16270 1 1546 . 1 1 131 131 GLU CB C 13 29.10 0.00 . 1 . . . . 131 GLU CB . 16270 1 1547 . 1 1 131 131 GLU CG C 13 36.31 0.00 . 1 . . . . 131 GLU CG . 16270 1 1548 . 1 1 131 131 GLU N N 15 123.98 0.00 . 1 . . . . 131 GLU N . 16270 1 1549 . 1 1 132 132 LYS H H 1 8.09 0.00 . 1 . . . . 132 LYS H . 16270 1 1550 . 1 1 132 132 LYS HA H 1 4.12 0.00 . 1 . . . . 132 LYS HA . 16270 1 1551 . 1 1 132 132 LYS HB2 H 1 1.89 0.00 . 1 . . . . 132 LYS HB2 . 16270 1 1552 . 1 1 132 132 LYS HB3 H 1 1.98 0.00 . 1 . . . . 132 LYS HB3 . 16270 1 1553 . 1 1 132 132 LYS HD2 H 1 1.67 0.00 . 2 . . . . 132 LYS HD2 . 16270 1 1554 . 1 1 132 132 LYS HD3 H 1 1.67 0.00 . 2 . . . . 132 LYS HD3 . 16270 1 1555 . 1 1 132 132 LYS HE3 H 1 3.02 0.00 . 1 . . . . 132 LYS HE3 . 16270 1 1556 . 1 1 132 132 LYS HG2 H 1 1.50 0.00 . 1 . . . . 132 LYS HG2 . 16270 1 1557 . 1 1 132 132 LYS HG3 H 1 1.40 0.00 . 1 . . . . 132 LYS HG3 . 16270 1 1558 . 1 1 132 132 LYS C C 13 178.44 0.00 . 1 . . . . 132 LYS C . 16270 1 1559 . 1 1 132 132 LYS CA C 13 58.50 0.00 . 1 . . . . 132 LYS CA . 16270 1 1560 . 1 1 132 132 LYS CB C 13 32.59 0.00 . 1 . . . . 132 LYS CB . 16270 1 1561 . 1 1 132 132 LYS CD C 13 28.78 0.00 . 1 . . . . 132 LYS CD . 16270 1 1562 . 1 1 132 132 LYS CE C 13 42.38 0.00 . 1 . . . . 132 LYS CE . 16270 1 1563 . 1 1 132 132 LYS CG C 13 25.58 0.00 . 1 . . . . 132 LYS CG . 16270 1 1564 . 1 1 132 132 LYS N N 15 117.97 0.00 . 1 . . . . 132 LYS N . 16270 1 1565 . 1 1 133 133 THR H H 1 7.11 0.00 . 1 . . . . 133 THR H . 16270 1 1566 . 1 1 133 133 THR HA H 1 4.27 0.00 . 1 . . . . 133 THR HA . 16270 1 1567 . 1 1 133 133 THR HB H 1 4.23 0.00 . 1 . . . . 133 THR HB . 16270 1 1568 . 1 1 133 133 THR HG21 H 1 1.03 0.00 . 1 . . . . 133 THR HG2 . 16270 1 1569 . 1 1 133 133 THR HG22 H 1 1.03 0.00 . 1 . . . . 133 THR HG2 . 16270 1 1570 . 1 1 133 133 THR HG23 H 1 1.03 0.00 . 1 . . . . 133 THR HG2 . 16270 1 1571 . 1 1 133 133 THR C C 13 176.43 0.00 . 1 . . . . 133 THR C . 16270 1 1572 . 1 1 133 133 THR CA C 13 61.30 0.00 . 1 . . . . 133 THR CA . 16270 1 1573 . 1 1 133 133 THR CB C 13 70.09 0.00 . 1 . . . . 133 THR CB . 16270 1 1574 . 1 1 133 133 THR CG2 C 13 22.04 0.00 . 1 . . . . 133 THR CG2 . 16270 1 1575 . 1 1 133 133 THR N N 15 106.65 0.00 . 1 . . . . 133 THR N . 16270 1 1576 . 1 1 134 134 GLY H H 1 8.39 0.00 . 1 . . . . 134 GLY H . 16270 1 1577 . 1 1 134 134 GLY HA2 H 1 3.96 0.00 . 1 . . . . 134 GLY HA2 . 16270 1 1578 . 1 1 134 134 GLY HA3 H 1 3.60 0.00 . 1 . . . . 134 GLY HA3 . 16270 1 1579 . 1 1 134 134 GLY C C 13 173.74 0.00 . 1 . . . . 134 GLY C . 16270 1 1580 . 1 1 134 134 GLY CA C 13 46.05 0.00 . 1 . . . . 134 GLY CA . 16270 1 1581 . 1 1 134 134 GLY N N 15 111.95 0.00 . 1 . . . . 134 GLY N . 16270 1 1582 . 1 1 135 135 VAL H H 1 6.95 0.00 . 1 . . . . 135 VAL H . 16270 1 1583 . 1 1 135 135 VAL HA H 1 4.41 0.00 . 1 . . . . 135 VAL HA . 16270 1 1584 . 1 1 135 135 VAL HB H 1 1.97 0.00 . 1 . . . . 135 VAL HB . 16270 1 1585 . 1 1 135 135 VAL HG11 H 1 0.81 0.00 . 1 . . . . 135 VAL HG1 . 16270 1 1586 . 1 1 135 135 VAL HG12 H 1 0.81 0.00 . 1 . . . . 135 VAL HG1 . 16270 1 1587 . 1 1 135 135 VAL HG13 H 1 0.81 0.00 . 1 . . . . 135 VAL HG1 . 16270 1 1588 . 1 1 135 135 VAL HG21 H 1 0.86 0.00 . 1 . . . . 135 VAL HG2 . 16270 1 1589 . 1 1 135 135 VAL HG22 H 1 0.86 0.00 . 1 . . . . 135 VAL HG2 . 16270 1 1590 . 1 1 135 135 VAL HG23 H 1 0.86 0.00 . 1 . . . . 135 VAL HG2 . 16270 1 1591 . 1 1 135 135 VAL C C 13 174.85 0.00 . 1 . . . . 135 VAL C . 16270 1 1592 . 1 1 135 135 VAL CA C 13 60.72 0.00 . 1 . . . . 135 VAL CA . 16270 1 1593 . 1 1 135 135 VAL CB C 13 35.49 0.00 . 1 . . . . 135 VAL CB . 16270 1 1594 . 1 1 135 135 VAL CG1 C 13 20.89 0.00 . 1 . . . . 135 VAL CG1 . 16270 1 1595 . 1 1 135 135 VAL CG2 C 13 21.88 0.00 . 1 . . . . 135 VAL CG2 . 16270 1 1596 . 1 1 135 135 VAL N N 15 117.43 0.00 . 1 . . . . 135 VAL N . 16270 1 1597 . 1 1 136 136 TRP H H 1 8.98 0.00 . 1 . . . . 136 TRP H . 16270 1 1598 . 1 1 136 136 TRP HA H 1 4.66 0.00 . 1 . . . . 136 TRP HA . 16270 1 1599 . 1 1 136 136 TRP HB2 H 1 3.28 0.00 . 1 . . . . 136 TRP HB2 . 16270 1 1600 . 1 1 136 136 TRP HB3 H 1 3.44 0.00 . 1 . . . . 136 TRP HB3 . 16270 1 1601 . 1 1 136 136 TRP HD1 H 1 7.02 0.00 . 1 . . . . 136 TRP HD1 . 16270 1 1602 . 1 1 136 136 TRP HE1 H 1 10.29 0.00 . 1 . . . . 136 TRP HE1 . 16270 1 1603 . 1 1 136 136 TRP HE3 H 1 7.11 0.00 . 1 . . . . 136 TRP HE3 . 16270 1 1604 . 1 1 136 136 TRP HH2 H 1 6.96 0.00 . 1 . . . . 136 TRP HH2 . 16270 1 1605 . 1 1 136 136 TRP HZ2 H 1 7.16 0.00 . 1 . . . . 136 TRP HZ2 . 16270 1 1606 . 1 1 136 136 TRP C C 13 175.91 0.00 . 1 . . . . 136 TRP C . 16270 1 1607 . 1 1 136 136 TRP CA C 13 60.42 0.00 . 1 . . . . 136 TRP CA . 16270 1 1608 . 1 1 136 136 TRP CB C 13 29.31 0.00 . 1 . . . . 136 TRP CB . 16270 1 1609 . 1 1 136 136 TRP CD1 C 13 128.20 0.00 . 1 . . . . 136 TRP CD1 . 16270 1 1610 . 1 1 136 136 TRP CE3 C 13 122.40 0.00 . 1 . . . . 136 TRP CE3 . 16270 1 1611 . 1 1 136 136 TRP CH2 C 13 125.10 0.00 . 1 . . . . 136 TRP CH2 . 16270 1 1612 . 1 1 136 136 TRP CZ2 C 13 115.40 0.00 . 1 . . . . 136 TRP CZ2 . 16270 1 1613 . 1 1 136 136 TRP N N 15 126.31 0.00 . 1 . . . . 136 TRP N . 16270 1 1614 . 1 1 136 136 TRP NE1 N 15 131.20 0.00 . 1 . . . . 136 TRP NE1 . 16270 1 1615 . 1 1 137 137 GLU H H 1 8.62 0.00 . 1 . . . . 137 GLU H . 16270 1 1616 . 1 1 137 137 GLU HA H 1 4.25 0.00 . 1 . . . . 137 GLU HA . 16270 1 1617 . 1 1 137 137 GLU HB2 H 1 2.20 0.00 . 1 . . . . 137 GLU HB2 . 16270 1 1618 . 1 1 137 137 GLU HB3 H 1 2.25 0.00 . 1 . . . . 137 GLU HB3 . 16270 1 1619 . 1 1 137 137 GLU HG2 H 1 2.56 0.00 . 1 . . . . 137 GLU HG2 . 16270 1 1620 . 1 1 137 137 GLU HG3 H 1 2.20 0.00 . 1 . . . . 137 GLU HG3 . 16270 1 1621 . 1 1 137 137 GLU C C 13 177.52 0.00 . 1 . . . . 137 GLU C . 16270 1 1622 . 1 1 137 137 GLU CA C 13 58.40 0.00 . 1 . . . . 137 GLU CA . 16270 1 1623 . 1 1 137 137 GLU CB C 13 31.39 0.00 . 1 . . . . 137 GLU CB . 16270 1 1624 . 1 1 137 137 GLU CG C 13 37.68 0.00 . 1 . . . . 137 GLU CG . 16270 1 1625 . 1 1 137 137 GLU N N 15 123.86 0.00 . 1 . . . . 137 GLU N . 16270 1 1626 . 1 1 138 138 LYS H H 1 8.27 0.00 . 1 . . . . 138 LYS H . 16270 1 1627 . 1 1 138 138 LYS HA H 1 4.85 0.00 . 1 . . . . 138 LYS HA . 16270 1 1628 . 1 1 138 138 LYS HB2 H 1 1.84 0.00 . 1 . . . . 138 LYS HB2 . 16270 1 1629 . 1 1 138 138 LYS HB3 H 1 1.71 0.00 . 1 . . . . 138 LYS HB3 . 16270 1 1630 . 1 1 138 138 LYS HD3 H 1 1.59 0.00 . 1 . . . . 138 LYS HD3 . 16270 1 1631 . 1 1 138 138 LYS HE2 H 1 3.03 0.00 . 1 . . . . 138 LYS HE2 . 16270 1 1632 . 1 1 138 138 LYS HE3 H 1 2.95 0.00 . 1 . . . . 138 LYS HE3 . 16270 1 1633 . 1 1 138 138 LYS HG2 H 1 1.45 0.00 . 2 . . . . 138 LYS HG2 . 16270 1 1634 . 1 1 138 138 LYS HG3 H 1 1.45 0.00 . 2 . . . . 138 LYS HG3 . 16270 1 1635 . 1 1 138 138 LYS C C 13 175.22 0.00 . 1 . . . . 138 LYS C . 16270 1 1636 . 1 1 138 138 LYS CA C 13 54.22 0.00 . 1 . . . . 138 LYS CA . 16270 1 1637 . 1 1 138 138 LYS CB C 13 32.77 0.00 . 1 . . . . 138 LYS CB . 16270 1 1638 . 1 1 138 138 LYS CD C 13 28.28 0.00 . 1 . . . . 138 LYS CD . 16270 1 1639 . 1 1 138 138 LYS CE C 13 42.38 0.00 . 1 . . . . 138 LYS CE . 16270 1 1640 . 1 1 138 138 LYS CG C 13 26.16 0.00 . 1 . . . . 138 LYS CG . 16270 1 1641 . 1 1 138 138 LYS N N 15 119.83 0.00 . 1 . . . . 138 LYS N . 16270 1 1642 . 1 1 139 139 ARG H H 1 7.47 0.00 . 1 . . . . 139 ARG H . 16270 1 1643 . 1 1 139 139 ARG HA H 1 5.07 0.00 . 1 . . . . 139 ARG HA . 16270 1 1644 . 1 1 139 139 ARG HB2 H 1 1.55 0.00 . 1 . . . . 139 ARG HB2 . 16270 1 1645 . 1 1 139 139 ARG HD2 H 1 3.30 0.00 . 1 . . . . 139 ARG HD2 . 16270 1 1646 . 1 1 139 139 ARG HD3 H 1 2.85 0.00 . 1 . . . . 139 ARG HD3 . 16270 1 1647 . 1 1 139 139 ARG HE H 1 6.23 0.00 . 1 . . . . 139 ARG HE . 16270 1 1648 . 1 1 139 139 ARG C C 13 172.71 0.00 . 1 . . . . 139 ARG C . 16270 1 1649 . 1 1 139 139 ARG CA C 13 53.80 0.00 . 1 . . . . 139 ARG CA . 16270 1 1650 . 1 1 139 139 ARG CB C 13 30.81 0.00 . 1 . . . . 139 ARG CB . 16270 1 1651 . 1 1 139 139 ARG CD C 13 43.21 0.00 . 1 . . . . 139 ARG CD . 16270 1 1652 . 1 1 139 139 ARG N N 15 119.20 0.00 . 1 . . . . 139 ARG N . 16270 1 1653 . 1 1 139 139 ARG NE N 15 119.65 0.00 . 1 . . . . 139 ARG NE . 16270 1 1654 . 1 1 140 140 LYS H H 1 8.55 0.00 . 1 . . . . 140 LYS H . 16270 1 1655 . 1 1 140 140 LYS HA H 1 4.85 0.00 . 1 . . . . 140 LYS HA . 16270 1 1656 . 1 1 140 140 LYS HB2 H 1 1.56 0.00 . 1 . . . . 140 LYS HB2 . 16270 1 1657 . 1 1 140 140 LYS HB3 H 1 1.34 0.00 . 1 . . . . 140 LYS HB3 . 16270 1 1658 . 1 1 140 140 LYS C C 13 174.76 0.00 . 1 . . . . 140 LYS C . 16270 1 1659 . 1 1 140 140 LYS CA C 13 55.94 0.00 . 1 . . . . 140 LYS CA . 16270 1 1660 . 1 1 140 140 LYS CB C 13 34.61 0.00 . 1 . . . . 140 LYS CB . 16270 1 1661 . 1 1 140 140 LYS N N 15 125.76 0.00 . 1 . . . . 140 LYS N . 16270 1 1662 . 1 1 141 141 ILE H H 1 9.03 0.00 . 1 . . . . 141 ILE H . 16270 1 1663 . 1 1 141 141 ILE HA H 1 5.08 0.00 . 1 . . . . 141 ILE HA . 16270 1 1664 . 1 1 141 141 ILE HB H 1 1.91 0.00 . 1 . . . . 141 ILE HB . 16270 1 1665 . 1 1 141 141 ILE HD11 H 1 0.62 0.00 . 1 . . . . 141 ILE HD1 . 16270 1 1666 . 1 1 141 141 ILE HD12 H 1 0.62 0.00 . 1 . . . . 141 ILE HD1 . 16270 1 1667 . 1 1 141 141 ILE HD13 H 1 0.62 0.00 . 1 . . . . 141 ILE HD1 . 16270 1 1668 . 1 1 141 141 ILE HG13 H 1 1.19 0.00 . 1 . . . . 141 ILE HG13 . 16270 1 1669 . 1 1 141 141 ILE HG21 H 1 0.71 0.00 . 1 . . . . 141 ILE HG2 . 16270 1 1670 . 1 1 141 141 ILE HG22 H 1 0.71 0.00 . 1 . . . . 141 ILE HG2 . 16270 1 1671 . 1 1 141 141 ILE HG23 H 1 0.71 0.00 . 1 . . . . 141 ILE HG2 . 16270 1 1672 . 1 1 141 141 ILE C C 13 173.91 0.00 . 1 . . . . 141 ILE C . 16270 1 1673 . 1 1 141 141 ILE CA C 13 57.96 0.00 . 1 . . . . 141 ILE CA . 16270 1 1674 . 1 1 141 141 ILE CB C 13 38.36 0.00 . 1 . . . . 141 ILE CB . 16270 1 1675 . 1 1 141 141 ILE CD1 C 13 12.23 0.00 . 1 . . . . 141 ILE CD1 . 16270 1 1676 . 1 1 141 141 ILE CG1 C 13 27.81 0.00 . 1 . . . . 141 ILE CG1 . 16270 1 1677 . 1 1 141 141 ILE CG2 C 13 18.71 0.00 . 1 . . . . 141 ILE CG2 . 16270 1 1678 . 1 1 141 141 ILE N N 15 123.44 0.00 . 1 . . . . 141 ILE N . 16270 1 1679 . 1 1 142 142 PHE H H 1 9.38 0.00 . 1 . . . . 142 PHE H . 16270 1 1680 . 1 1 142 142 PHE HA H 1 4.92 0.00 . 1 . . . . 142 PHE HA . 16270 1 1681 . 1 1 142 142 PHE HB3 H 1 2.99 0.00 . 1 . . . . 142 PHE HB3 . 16270 1 1682 . 1 1 142 142 PHE HD1 H 1 7.04 0.00 . 3 . . . . 142 PHE HD1 . 16270 1 1683 . 1 1 142 142 PHE HE1 H 1 7.30 0.00 . 3 . . . . 142 PHE HE1 . 16270 1 1684 . 1 1 142 142 PHE C C 13 174.68 0.00 . 1 . . . . 142 PHE C . 16270 1 1685 . 1 1 142 142 PHE CA C 13 56.14 0.00 . 1 . . . . 142 PHE CA . 16270 1 1686 . 1 1 142 142 PHE CB C 13 39.80 0.00 . 1 . . . . 142 PHE CB . 16270 1 1687 . 1 1 142 142 PHE CD1 C 13 132.51 0.00 . 3 . . . . 142 PHE CD1 . 16270 1 1688 . 1 1 142 142 PHE CE1 C 13 130.94 0.00 . 3 . . . . 142 PHE CE1 . 16270 1 1689 . 1 1 142 142 PHE N N 15 127.91 0.00 . 1 . . . . 142 PHE N . 16270 1 1690 . 1 1 143 143 VAL H H 1 9.11 0.00 . 1 . . . . 143 VAL H . 16270 1 1691 . 1 1 143 143 VAL HA H 1 4.98 0.00 . 1 . . . . 143 VAL HA . 16270 1 1692 . 1 1 143 143 VAL HB H 1 1.93 0.00 . 1 . . . . 143 VAL HB . 16270 1 1693 . 1 1 143 143 VAL HG11 H 1 0.85 0.00 . 1 . . . . 143 VAL HG1 . 16270 1 1694 . 1 1 143 143 VAL HG12 H 1 0.85 0.00 . 1 . . . . 143 VAL HG1 . 16270 1 1695 . 1 1 143 143 VAL HG13 H 1 0.85 0.00 . 1 . . . . 143 VAL HG1 . 16270 1 1696 . 1 1 143 143 VAL HG21 H 1 0.70 0.00 . 1 . . . . 143 VAL HG2 . 16270 1 1697 . 1 1 143 143 VAL HG22 H 1 0.70 0.00 . 1 . . . . 143 VAL HG2 . 16270 1 1698 . 1 1 143 143 VAL HG23 H 1 0.70 0.00 . 1 . . . . 143 VAL HG2 . 16270 1 1699 . 1 1 143 143 VAL C C 13 174.78 0.00 . 1 . . . . 143 VAL C . 16270 1 1700 . 1 1 143 143 VAL CA C 13 61.62 0.00 . 1 . . . . 143 VAL CA . 16270 1 1701 . 1 1 143 143 VAL CB C 13 33.70 0.00 . 1 . . . . 143 VAL CB . 16270 1 1702 . 1 1 143 143 VAL CG1 C 13 22.00 0.00 . 1 . . . . 143 VAL CG1 . 16270 1 1703 . 1 1 143 143 VAL CG2 C 13 21.84 0.00 . 1 . . . . 143 VAL CG2 . 16270 1 1704 . 1 1 143 143 VAL N N 15 124.11 0.00 . 1 . . . . 143 VAL N . 16270 1 1705 . 1 1 144 144 ALA H H 1 9.08 0.00 . 1 . . . . 144 ALA H . 16270 1 1706 . 1 1 144 144 ALA HA H 1 5.30 0.00 . 1 . . . . 144 ALA HA . 16270 1 1707 . 1 1 144 144 ALA HB1 H 1 1.07 0.00 . 1 . . . . 144 ALA HB . 16270 1 1708 . 1 1 144 144 ALA HB2 H 1 1.07 0.00 . 1 . . . . 144 ALA HB . 16270 1 1709 . 1 1 144 144 ALA HB3 H 1 1.07 0.00 . 1 . . . . 144 ALA HB . 16270 1 1710 . 1 1 144 144 ALA C C 13 175.61 0.00 . 1 . . . . 144 ALA C . 16270 1 1711 . 1 1 144 144 ALA CA C 13 50.17 0.00 . 1 . . . . 144 ALA CA . 16270 1 1712 . 1 1 144 144 ALA CB C 13 22.42 0.00 . 1 . . . . 144 ALA CB . 16270 1 1713 . 1 1 144 144 ALA N N 15 131.50 0.00 . 1 . . . . 144 ALA N . 16270 1 1714 . 1 1 145 145 THR H H 1 8.70 0.00 . 1 . . . . 145 THR H . 16270 1 1715 . 1 1 145 145 THR HA H 1 4.95 0.00 . 1 . . . . 145 THR HA . 16270 1 1716 . 1 1 145 145 THR HB H 1 4.07 0.00 . 1 . . . . 145 THR HB . 16270 1 1717 . 1 1 145 145 THR HG21 H 1 1.43 0.00 . 1 . . . . 145 THR HG2 . 16270 1 1718 . 1 1 145 145 THR HG22 H 1 1.43 0.00 . 1 . . . . 145 THR HG2 . 16270 1 1719 . 1 1 145 145 THR HG23 H 1 1.43 0.00 . 1 . . . . 145 THR HG2 . 16270 1 1720 . 1 1 145 145 THR C C 13 174.76 0.00 . 1 . . . . 145 THR C . 16270 1 1721 . 1 1 145 145 THR CA C 13 62.75 0.00 . 1 . . . . 145 THR CA . 16270 1 1722 . 1 1 145 145 THR CB C 13 70.60 0.00 . 1 . . . . 145 THR CB . 16270 1 1723 . 1 1 145 145 THR CG2 C 13 22.37 0.00 . 1 . . . . 145 THR CG2 . 16270 1 1724 . 1 1 145 145 THR N N 15 119.55 0.00 . 1 . . . . 145 THR N . 16270 1 1725 . 1 1 146 146 GLU H H 1 9.20 0.00 . 1 . . . . 146 GLU H . 16270 1 1726 . 1 1 146 146 GLU HA H 1 4.13 0.00 . 1 . . . . 146 GLU HA . 16270 1 1727 . 1 1 146 146 GLU HB2 H 1 1.93 0.00 . 1 . . . . 146 GLU HB2 . 16270 1 1728 . 1 1 146 146 GLU HB3 H 1 1.85 0.00 . 1 . . . . 146 GLU HB3 . 16270 1 1729 . 1 1 146 146 GLU HG2 H 1 2.16 0.00 . 1 . . . . 146 GLU HG2 . 16270 1 1730 . 1 1 146 146 GLU HG3 H 1 2.03 0.00 . 1 . . . . 146 GLU HG3 . 16270 1 1731 . 1 1 146 146 GLU C C 13 175.63 0.00 . 1 . . . . 146 GLU C . 16270 1 1732 . 1 1 146 146 GLU CA C 13 58.49 0.00 . 1 . . . . 146 GLU CA . 16270 1 1733 . 1 1 146 146 GLU CB C 13 30.66 0.00 . 1 . . . . 146 GLU CB . 16270 1 1734 . 1 1 146 146 GLU CG C 13 36.33 0.00 . 1 . . . . 146 GLU CG . 16270 1 1735 . 1 1 146 146 GLU N N 15 128.54 0.00 . 1 . . . . 146 GLU N . 16270 1 1736 . 1 1 147 147 VAL H H 1 8.22 0.00 . 1 . . . . 147 VAL H . 16270 1 1737 . 1 1 147 147 VAL HA H 1 4.24 0.00 . 1 . . . . 147 VAL HA . 16270 1 1738 . 1 1 147 147 VAL HB H 1 1.87 0.00 . 1 . . . . 147 VAL HB . 16270 1 1739 . 1 1 147 147 VAL HG11 H 1 0.91 0.00 . 1 . . . . 147 VAL HG1 . 16270 1 1740 . 1 1 147 147 VAL HG12 H 1 0.91 0.00 . 1 . . . . 147 VAL HG1 . 16270 1 1741 . 1 1 147 147 VAL HG13 H 1 0.91 0.00 . 1 . . . . 147 VAL HG1 . 16270 1 1742 . 1 1 147 147 VAL HG21 H 1 0.79 0.00 . 1 . . . . 147 VAL HG2 . 16270 1 1743 . 1 1 147 147 VAL HG22 H 1 0.79 0.00 . 1 . . . . 147 VAL HG2 . 16270 1 1744 . 1 1 147 147 VAL HG23 H 1 0.79 0.00 . 1 . . . . 147 VAL HG2 . 16270 1 1745 . 1 1 147 147 VAL C C 13 174.65 0.00 . 1 . . . . 147 VAL C . 16270 1 1746 . 1 1 147 147 VAL CA C 13 61.37 0.00 . 1 . . . . 147 VAL CA . 16270 1 1747 . 1 1 147 147 VAL CB C 13 34.08 0.00 . 1 . . . . 147 VAL CB . 16270 1 1748 . 1 1 147 147 VAL CG1 C 13 21.90 0.00 . 1 . . . . 147 VAL CG1 . 16270 1 1749 . 1 1 147 147 VAL CG2 C 13 21.27 0.00 . 1 . . . . 147 VAL CG2 . 16270 1 1750 . 1 1 147 147 VAL N N 15 124.93 0.00 . 1 . . . . 147 VAL N . 16270 1 1751 . 1 1 148 148 LYS H H 1 8.03 0.00 . 1 . . . . 148 LYS H . 16270 1 1752 . 1 1 148 148 LYS HA H 1 4.17 0.00 . 1 . . . . 148 LYS HA . 16270 1 1753 . 1 1 148 148 LYS HB2 H 1 1.81 0.00 . 1 . . . . 148 LYS HB2 . 16270 1 1754 . 1 1 148 148 LYS HB3 H 1 1.67 0.00 . 1 . . . . 148 LYS HB3 . 16270 1 1755 . 1 1 148 148 LYS HE2 H 1 2.97 0.00 . 2 . . . . 148 LYS HE2 . 16270 1 1756 . 1 1 148 148 LYS HE3 H 1 2.97 0.00 . 2 . . . . 148 LYS HE3 . 16270 1 1757 . 1 1 148 148 LYS HG2 H 1 1.48 0.00 . 1 . . . . 148 LYS HG2 . 16270 1 1758 . 1 1 148 148 LYS HG3 H 1 1.37 0.00 . 1 . . . . 148 LYS HG3 . 16270 1 1759 . 1 1 148 148 LYS C C 13 177.18 0.00 . 1 . . . . 148 LYS C . 16270 1 1760 . 1 1 148 148 LYS CA C 13 57.73 0.00 . 1 . . . . 148 LYS CA . 16270 1 1761 . 1 1 148 148 LYS CB C 13 34.05 0.00 . 1 . . . . 148 LYS CB . 16270 1 1762 . 1 1 148 148 LYS CD C 13 29.20 0.00 . 1 . . . . 148 LYS CD . 16270 1 1763 . 1 1 148 148 LYS CE C 13 42.54 0.00 . 1 . . . . 148 LYS CE . 16270 1 1764 . 1 1 148 148 LYS CG C 13 25.06 0.00 . 1 . . . . 148 LYS CG . 16270 1 1765 . 1 1 148 148 LYS N N 15 130.52 0.00 . 1 . . . . 148 LYS N . 16270 1 1766 . 2 2 2 2 LEU H H 1 7.39 0.00 . 1 . . . . 702 LEU H . 16270 1 1767 . 2 2 2 2 LEU HA H 1 4.07 0.00 . 1 . . . . 702 LEU HA . 16270 1 1768 . 2 2 2 2 LEU HB3 H 1 1.75 0.00 . 1 . . . . 702 LEU HB3 . 16270 1 1769 . 2 2 2 2 LEU HD11 H 1 1.00 0.00 . 1 . . . . 702 LEU HD1 . 16270 1 1770 . 2 2 2 2 LEU HD12 H 1 1.00 0.00 . 1 . . . . 702 LEU HD1 . 16270 1 1771 . 2 2 2 2 LEU HD13 H 1 1.00 0.00 . 1 . . . . 702 LEU HD1 . 16270 1 1772 . 2 2 2 2 LEU HD21 H 1 0.77 0.00 . 1 . . . . 702 LEU HD2 . 16270 1 1773 . 2 2 2 2 LEU HD22 H 1 0.77 0.00 . 1 . . . . 702 LEU HD2 . 16270 1 1774 . 2 2 2 2 LEU HD23 H 1 0.77 0.00 . 1 . . . . 702 LEU HD2 . 16270 1 1775 . 2 2 2 2 LEU HG H 1 1.41 0.00 . 1 . . . . 702 LEU HG . 16270 1 1776 . 2 2 2 2 LEU CA C 13 51.28 0.00 . 1 . . . . 702 LEU CA . 16270 1 1777 . 2 2 2 2 LEU CB C 13 39.93 0.00 . 1 . . . . 702 LEU CB . 16270 1 1778 . 2 2 2 2 LEU CD1 C 13 21.81 0.00 . 1 . . . . 702 LEU CD1 . 16270 1 1779 . 2 2 2 2 LEU CD2 C 13 23.63 0.00 . 1 . . . . 702 LEU CD2 . 16270 1 1780 . 2 2 2 2 LEU CG C 13 24.46 0.00 . 1 . . . . 702 LEU CG . 16270 1 1781 . 2 2 2 2 LEU N N 15 124.40 0.00 . 1 . . . . 702 LEU N . 16270 1 1782 . 2 2 3 3 PRO HA H 1 4.35 0.00 . 1 . . . . 703 PRO HA . 16270 1 1783 . 2 2 3 3 PRO HB2 H 1 1.59 0.00 . 1 . . . . 703 PRO HB2 . 16270 1 1784 . 2 2 3 3 PRO HB3 H 1 2.00 0.00 . 1 . . . . 703 PRO HB3 . 16270 1 1785 . 2 2 3 3 PRO HD2 H 1 3.07 0.00 . 1 . . . . 703 PRO HD2 . 16270 1 1786 . 2 2 3 3 PRO HD3 H 1 2.81 0.00 . 1 . . . . 703 PRO HD3 . 16270 1 1787 . 2 2 3 3 PRO HG3 H 1 1.40 0.00 . 1 . . . . 703 PRO HG3 . 16270 1 1788 . 2 2 3 3 PRO C C 13 175.75 0.00 . 1 . . . . 703 PRO C . 16270 1 1789 . 2 2 3 3 PRO CA C 13 60.36 0.00 . 1 . . . . 703 PRO CA . 16270 1 1790 . 2 2 3 3 PRO CB C 13 29.32 0.00 . 1 . . . . 703 PRO CB . 16270 1 1791 . 2 2 3 3 PRO CD C 13 47.38 0.00 . 1 . . . . 703 PRO CD . 16270 1 1792 . 2 2 3 3 PRO CG C 13 25.19 0.00 . 1 . . . . 703 PRO CG . 16270 1 1793 . 2 2 4 4 ALA H H 1 8.29 0.00 . 1 . . . . 704 ALA H . 16270 1 1794 . 2 2 4 4 ALA HA H 1 4.39 0.00 . 1 . . . . 704 ALA HA . 16270 1 1795 . 2 2 4 4 ALA HB1 H 1 1.02 0.00 . 1 . . . . 704 ALA HB . 16270 1 1796 . 2 2 4 4 ALA HB2 H 1 1.02 0.00 . 1 . . . . 704 ALA HB . 16270 1 1797 . 2 2 4 4 ALA HB3 H 1 1.02 0.00 . 1 . . . . 704 ALA HB . 16270 1 1798 . 2 2 4 4 ALA CA C 13 49.01 0.00 . 1 . . . . 704 ALA CA . 16270 1 1799 . 2 2 4 4 ALA CB C 13 18.39 0.00 . 1 . . . . 704 ALA CB . 16270 1 1800 . 2 2 4 4 ALA N N 15 120.70 0.00 . 1 . . . . 704 ALA N . 16270 1 1801 . 2 2 5 5 B27 H H 1 6.82 0.00 . 1 . . . . 705 THR H . 16270 1 1802 . 2 2 5 5 B27 HA H 1 3.74 0.00 . 1 . . . . 705 THR HA . 16270 1 1803 . 2 2 5 5 B27 HB H 1 3.92 0.00 . 1 . . . . 705 THR HB . 16270 1 1804 . 2 2 5 5 B27 HG21 H 1 1.29 0.00 . 1 . . . . 705 THR HG2 . 16270 1 1805 . 2 2 5 5 B27 HG22 H 1 1.29 0.00 . 1 . . . . 705 THR HG2 . 16270 1 1806 . 2 2 5 5 B27 HG23 H 1 1.29 0.00 . 1 . . . . 705 THR HG2 . 16270 1 1807 . 2 2 5 5 B27 CA C 13 53.54 0.00 . 1 . . . . 705 THR CA . 16270 1 1808 . 2 2 5 5 B27 CB C 13 66.36 0.00 . 1 . . . . 705 THR CB . 16270 1 1809 . 2 2 5 5 B27 CG2 C 13 19.82 0.00 . 1 . . . . 705 THR CG2 . 16270 1 1810 . 2 2 5 5 B27 N N 15 112.70 0.00 . 1 . . . . 705 THR N . 16270 1 stop_ save_