data_5315 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5315 _Entry.Title ; 1H, 13C and 15N chemical shift assignment for ribosome-associated factor Y ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-08 _Entry.Accession_date 2002-03-08 _Entry.Last_release_date 2003-02-20 _Entry.Original_release_date 2003-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Keqiong Ye . . . 5315 2 Alexander Serganov . . . 5315 3 Weidong Hu . . . 5315 4 Dinshaw Patel . J. . 5315 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5315 coupling_constants 1 5315 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 818 5315 '13C chemical shifts' 499 5315 '15N chemical shifts' 120 5315 'coupling constants' 75 5315 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-02-20 2002-03-08 original author . 5315 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5315 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22280969 _Citation.DOI . _Citation.PubMed_ID 12392550 _Citation.Full_citation . _Citation.Title ; Ribosome-associated Factor Y adopts a Fold resembling a Double-stranded RNA Binding Domain Scaffold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 269 _Citation.Journal_issue 21 _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 5182 _Citation.Page_last 5191 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Keqiong Ye . . . 5315 1 2 Alexander Serganov . . . 5315 1 3 Weidong Hu . . . 5315 1 4 Dinshaw Patel . J. . 5315 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_pY _Assembly.Sf_category assembly _Assembly.Sf_framecode system_pY _Assembly.Entry_ID 5315 _Assembly.ID 1 _Assembly.Name 'Protein Yfia' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5315 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Protein Yfia' 1 $pY . . . native . . . . . 5315 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1L4S . . . . . . 5315 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Protein Yfia' system 5315 1 pY abbreviation 5315 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Ribosome associated factor' 5315 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pY _Entity.Sf_category entity _Entity.Sf_framecode pY _Entity.Entry_ID 5315 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein Yfia' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TMNITSKQMEITPAIRQHVA DRLAKLEKWQTHLINPHIIL SKEPQGFVADATINTPNGVL VASGKHEDMYTAINELINKL ERQLNKLQHKGEARRAATSV KDANFVEEVEEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 5389 . Yfia_monomer . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 2 no PDB 1L4S . "Solution Structure Of Ribosome Associated Factor Y" . . . . . 100.00 112 100.00 100.00 2.35e-75 . . . . 5315 1 3 no PDB 1N3G . "Solution Structure Of The Ribosome-Associated Cold Shock Response Protein Yfia Of Escherichia Coli" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 4 no PDB 1VOQ . "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " . . . . . 80.36 90 100.00 100.00 1.50e-58 . . . . 5315 1 5 no PDB 1VOS . "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " . . . . . 80.36 90 100.00 100.00 1.50e-58 . . . . 5315 1 6 no PDB 1VOV . "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " . . . . . 80.36 90 100.00 100.00 1.50e-58 . . . . 5315 1 7 no PDB 1VOX . "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " . . . . . 80.36 90 100.00 100.00 1.50e-58 . . . . 5315 1 8 no PDB 1VOZ . "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " . . . . . 80.36 90 100.00 100.00 1.50e-58 . . . . 5315 1 9 no PDB 3V2C . "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Yfia Of" . . . . . 100.00 119 100.00 100.00 6.09e-75 . . . . 5315 1 10 no PDB 3V2E . "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Yfia Of" . . . . . 100.00 119 100.00 100.00 6.09e-75 . . . . 5315 1 11 no DBJ BAA16481 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 12 no DBJ BAB36883 . "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 13 no DBJ BAG78406 . "putative sigma 54 modulation protein [Escherichia coli SE11]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 14 no DBJ BAI26837 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 99.11 116 100.00 100.00 9.66e-75 . . . . 5315 1 15 no DBJ BAI31922 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 16 no EMBL CAA94436 . "URF1 (ORFS54) [Escherichia coli K-12]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 17 no EMBL CAP77041 . "ribosome-associated inhibitor A [Escherichia coli LF82]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 18 no EMBL CAQ32967 . "stationary phase translation inhibitor and ribosome stability factor [Escherichia coli BL21(DE3)]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 19 no EMBL CAQ88030 . "cold shock protein associated with 30S ribosomal subunit [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 114 97.32 99.11 3.22e-73 . . . . 5315 1 20 no EMBL CAQ99546 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli IAI1]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 21 no GB AAA24328 . "12,785 MW protein (URF1) [Escherichia coli]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 22 no GB AAC75646 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 23 no GB AAG57709 . "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 24 no GB AAN44153 . "putative yhbH sigma 54 modulator [Shigella flexneri 2a str. 301]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 25 no GB AAN81568 . "Protein yfiA [Escherichia coli CFT073]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 26 no REF NP_289151 . "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 27 no REF NP_311487 . "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 28 no REF NP_417088 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 29 no REF NP_708446 . "translation inhibitor protein RaiA [Shigella flexneri 2a str. 301]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 30 no REF NP_755000 . "translation inhibitor protein RaiA [Escherichia coli CFT073]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 31 no SP P0AD49 . "RecName: Full=Ribosome-associated inhibitor A; AltName: Full=Protein Y; AltName: Full=SpotY; Short=pY [Escherichia coli K-12]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 32 no SP P0AD50 . "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli CFT073]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 33 no SP P0AD51 . "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli O157:H7]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 34 no SP P0AD52 . "RecName: Full=Ribosome-associated inhibitor A [Shigella flexneri]" . . . . . 100.00 113 100.00 100.00 2.79e-75 . . . . 5315 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Protein Yfia' common 5315 1 pY abbreviation 5315 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 . THR . 5315 1 2 . MET . 5315 1 3 . ASN . 5315 1 4 . ILE . 5315 1 5 . THR . 5315 1 6 . SER . 5315 1 7 . LYS . 5315 1 8 . GLN . 5315 1 9 . MET . 5315 1 10 . GLU . 5315 1 11 . ILE . 5315 1 12 . THR . 5315 1 13 . PRO . 5315 1 14 . ALA . 5315 1 15 . ILE . 5315 1 16 . ARG . 5315 1 17 . GLN . 5315 1 18 . HIS . 5315 1 19 . VAL . 5315 1 20 . ALA . 5315 1 21 . ASP . 5315 1 22 . ARG . 5315 1 23 . LEU . 5315 1 24 . ALA . 5315 1 25 . LYS . 5315 1 26 . LEU . 5315 1 27 . GLU . 5315 1 28 . LYS . 5315 1 29 . TRP . 5315 1 30 . GLN . 5315 1 31 . THR . 5315 1 32 . HIS . 5315 1 33 . LEU . 5315 1 34 . ILE . 5315 1 35 . ASN . 5315 1 36 . PRO . 5315 1 37 . HIS . 5315 1 38 . ILE . 5315 1 39 . ILE . 5315 1 40 . LEU . 5315 1 41 . SER . 5315 1 42 . LYS . 5315 1 43 . GLU . 5315 1 44 . PRO . 5315 1 45 . GLN . 5315 1 46 . GLY . 5315 1 47 . PHE . 5315 1 48 . VAL . 5315 1 49 . ALA . 5315 1 50 . ASP . 5315 1 51 . ALA . 5315 1 52 . THR . 5315 1 53 . ILE . 5315 1 54 . ASN . 5315 1 55 . THR . 5315 1 56 . PRO . 5315 1 57 . ASN . 5315 1 58 . GLY . 5315 1 59 . VAL . 5315 1 60 . LEU . 5315 1 61 . VAL . 5315 1 62 . ALA . 5315 1 63 . SER . 5315 1 64 . GLY . 5315 1 65 . LYS . 5315 1 66 . HIS . 5315 1 67 . GLU . 5315 1 68 . ASP . 5315 1 69 . MET . 5315 1 70 . TYR . 5315 1 71 . THR . 5315 1 72 . ALA . 5315 1 73 . ILE . 5315 1 74 . ASN . 5315 1 75 . GLU . 5315 1 76 . LEU . 5315 1 77 . ILE . 5315 1 78 . ASN . 5315 1 79 . LYS . 5315 1 80 . LEU . 5315 1 81 . GLU . 5315 1 82 . ARG . 5315 1 83 . GLN . 5315 1 84 . LEU . 5315 1 85 . ASN . 5315 1 86 . LYS . 5315 1 87 . LEU . 5315 1 88 . GLN . 5315 1 89 . HIS . 5315 1 90 . LYS . 5315 1 91 . GLY . 5315 1 92 . GLU . 5315 1 93 . ALA . 5315 1 94 . ARG . 5315 1 95 . ARG . 5315 1 96 . ALA . 5315 1 97 . ALA . 5315 1 98 . THR . 5315 1 99 . SER . 5315 1 100 . VAL . 5315 1 101 . LYS . 5315 1 102 . ASP . 5315 1 103 . ALA . 5315 1 104 . ASN . 5315 1 105 . PHE . 5315 1 106 . VAL . 5315 1 107 . GLU . 5315 1 108 . GLU . 5315 1 109 . VAL . 5315 1 110 . GLU . 5315 1 111 . GLU . 5315 1 112 . GLU . 5315 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 . THR 1 1 5315 1 . MET 2 2 5315 1 . ASN 3 3 5315 1 . ILE 4 4 5315 1 . THR 5 5 5315 1 . SER 6 6 5315 1 . LYS 7 7 5315 1 . GLN 8 8 5315 1 . MET 9 9 5315 1 . GLU 10 10 5315 1 . ILE 11 11 5315 1 . THR 12 12 5315 1 . PRO 13 13 5315 1 . ALA 14 14 5315 1 . ILE 15 15 5315 1 . ARG 16 16 5315 1 . GLN 17 17 5315 1 . HIS 18 18 5315 1 . VAL 19 19 5315 1 . ALA 20 20 5315 1 . ASP 21 21 5315 1 . ARG 22 22 5315 1 . LEU 23 23 5315 1 . ALA 24 24 5315 1 . LYS 25 25 5315 1 . LEU 26 26 5315 1 . GLU 27 27 5315 1 . LYS 28 28 5315 1 . TRP 29 29 5315 1 . GLN 30 30 5315 1 . THR 31 31 5315 1 . HIS 32 32 5315 1 . LEU 33 33 5315 1 . ILE 34 34 5315 1 . ASN 35 35 5315 1 . PRO 36 36 5315 1 . HIS 37 37 5315 1 . ILE 38 38 5315 1 . ILE 39 39 5315 1 . LEU 40 40 5315 1 . SER 41 41 5315 1 . LYS 42 42 5315 1 . GLU 43 43 5315 1 . PRO 44 44 5315 1 . GLN 45 45 5315 1 . GLY 46 46 5315 1 . PHE 47 47 5315 1 . VAL 48 48 5315 1 . ALA 49 49 5315 1 . ASP 50 50 5315 1 . ALA 51 51 5315 1 . THR 52 52 5315 1 . ILE 53 53 5315 1 . ASN 54 54 5315 1 . THR 55 55 5315 1 . PRO 56 56 5315 1 . ASN 57 57 5315 1 . GLY 58 58 5315 1 . VAL 59 59 5315 1 . LEU 60 60 5315 1 . VAL 61 61 5315 1 . ALA 62 62 5315 1 . SER 63 63 5315 1 . GLY 64 64 5315 1 . LYS 65 65 5315 1 . HIS 66 66 5315 1 . GLU 67 67 5315 1 . ASP 68 68 5315 1 . MET 69 69 5315 1 . TYR 70 70 5315 1 . THR 71 71 5315 1 . ALA 72 72 5315 1 . ILE 73 73 5315 1 . ASN 74 74 5315 1 . GLU 75 75 5315 1 . LEU 76 76 5315 1 . ILE 77 77 5315 1 . ASN 78 78 5315 1 . LYS 79 79 5315 1 . LEU 80 80 5315 1 . GLU 81 81 5315 1 . ARG 82 82 5315 1 . GLN 83 83 5315 1 . LEU 84 84 5315 1 . ASN 85 85 5315 1 . LYS 86 86 5315 1 . LEU 87 87 5315 1 . GLN 88 88 5315 1 . HIS 89 89 5315 1 . LYS 90 90 5315 1 . GLY 91 91 5315 1 . GLU 92 92 5315 1 . ALA 93 93 5315 1 . ARG 94 94 5315 1 . ARG 95 95 5315 1 . ALA 96 96 5315 1 . ALA 97 97 5315 1 . THR 98 98 5315 1 . SER 99 99 5315 1 . VAL 100 100 5315 1 . LYS 101 101 5315 1 . ASP 102 102 5315 1 . ALA 103 103 5315 1 . ASN 104 104 5315 1 . PHE 105 105 5315 1 . VAL 106 106 5315 1 . GLU 107 107 5315 1 . GLU 108 108 5315 1 . VAL 109 109 5315 1 . GLU 110 110 5315 1 . GLU 111 111 5315 1 . GLU 112 112 5315 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5315 _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 $pY . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5315 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 5315 _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 $pY . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET28b . . . . . . 5315 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5315 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein Yfia' '[U-99% 15N]' . . 1 $pY . . 2 . . mM . . . . 5315 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 5315 1 3 NaCl . . . . . . . 50 . . mM . . . . 5315 1 4 D2O . . . . . . . 7 . . % . . . . 5315 1 5 H2O . . . . . . . 93 . . % . . . . 5315 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5315 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein Yfia' '[U-99% 13C; U-99% 15N]' . . 1 $pY . . 1.5 . . mM . . . . 5315 2 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 5315 2 3 NACL . . . . . . . 50 . . mM . . . . 5315 2 4 D2O . . . . . . . 7 . . % . . . . 5315 2 5 H2O . . . . . . . 97 . . % . . . . 5315 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5315 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.7 0.1 n/a 5315 1 temperature 304.5 1 K 5315 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5315 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1B _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 5315 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5315 _Software.ID 2 _Software.Name FELIX _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5315 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5315 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0 _Software.Details 'Johnson and Blevins.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5315 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5315 _Software.ID 4 _Software.Name CNS _Software.Version 1.0 _Software.Details 'Brunger et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Calculation' 5315 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5315 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5315 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian UnityPlus . 600 . . . 5315 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 5315 _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-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 3 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 4 '2D 1H-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 6 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 7 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 8 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 9 '3D 1H-13C-1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 10 '3D 15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 11 '3D 15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 12 '3D 13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 13 '3D H(CCO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 14 '3D C(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 15 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 16 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5315 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H-13C-1H HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D H(CCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5315 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5315 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5315 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5315 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5315 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5315 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_2 . 5315 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 THR HA H 1 3.856 0.01 . 1 . . . . . . . . 5315 1 2 . 1 1 1 1 THR CB C 13 69.580 0.2 . 1 . . . . . . . . 5315 1 3 . 1 1 1 1 THR HB H 1 4.099 0.01 . 1 . . . . . . . . 5315 1 4 . 1 1 1 1 THR CG2 C 13 21.817 0.2 . 1 . . . . . . . . 5315 1 5 . 1 1 1 1 THR HG21 H 1 1.284 0.01 . 1 . . . . . . . . 5315 1 6 . 1 1 1 1 THR HG22 H 1 1.284 0.01 . 1 . . . . . . . . 5315 1 7 . 1 1 1 1 THR HG23 H 1 1.284 0.01 . 1 . . . . . . . . 5315 1 8 . 1 1 2 2 MET CA C 13 55.626 0.2 . 1 . . . . . . . . 5315 1 9 . 1 1 2 2 MET HA H 1 4.625 0.01 . 1 . . . . . . . . 5315 1 10 . 1 1 2 2 MET CB C 13 33.869 0.2 . 1 . . . . . . . . 5315 1 11 . 1 1 2 2 MET HB2 H 1 1.999 0.01 . 1 . . . . . . . . 5315 1 12 . 1 1 2 2 MET HB3 H 1 1.999 0.01 . 1 . . . . . . . . 5315 1 13 . 1 1 2 2 MET CG C 13 31.835 0.2 . 1 . . . . . . . . 5315 1 14 . 1 1 2 2 MET HG2 H 1 2.362 0.01 . 1 . . . . . . . . 5315 1 15 . 1 1 2 2 MET HG3 H 1 2.362 0.01 . 1 . . . . . . . . 5315 1 16 . 1 1 2 2 MET CE C 13 17.744 0.2 . 1 . . . . . . . . 5315 1 17 . 1 1 2 2 MET HE1 H 1 2.038 0.01 . 1 . . . . . . . . 5315 1 18 . 1 1 2 2 MET HE2 H 1 2.038 0.01 . 1 . . . . . . . . 5315 1 19 . 1 1 2 2 MET HE3 H 1 2.038 0.01 . 1 . . . . . . . . 5315 1 20 . 1 1 2 2 MET C C 13 174.337 0.2 . 1 . . . . . . . . 5315 1 21 . 1 1 3 3 ASN N N 15 124.253 0.2 . 1 . . . . . . . . 5315 1 22 . 1 1 3 3 ASN H H 1 8.454 0.01 . 1 . . . . . . . . 5315 1 23 . 1 1 3 3 ASN CA C 13 52.836 0.2 . 1 . . . . . . . . 5315 1 24 . 1 1 3 3 ASN HA H 1 4.969 0.01 . 1 . . . . . . . . 5315 1 25 . 1 1 3 3 ASN CB C 13 40.461 0.2 . 1 . . . . . . . . 5315 1 26 . 1 1 3 3 ASN HB2 H 1 2.552 0.01 . 1 . . . . . . . . 5315 1 27 . 1 1 3 3 ASN HB3 H 1 2.552 0.01 . 1 . . . . . . . . 5315 1 28 . 1 1 3 3 ASN ND2 N 15 111.613 0.2 . 1 . . . . . . . . 5315 1 29 . 1 1 3 3 ASN HD21 H 1 7.200 0.01 . 1 . . . . . . . . 5315 1 30 . 1 1 3 3 ASN HD22 H 1 6.640 0.01 . 1 . . . . . . . . 5315 1 31 . 1 1 3 3 ASN C C 13 173.500 0.2 . 1 . . . . . . . . 5315 1 32 . 1 1 4 4 ILE N N 15 124.356 0.2 . 1 . . . . . . . . 5315 1 33 . 1 1 4 4 ILE H H 1 8.310 0.01 . 1 . . . . . . . . 5315 1 34 . 1 1 4 4 ILE CA C 13 59.787 0.2 . 1 . . . . . . . . 5315 1 35 . 1 1 4 4 ILE HA H 1 5.440 0.01 . 1 . . . . . . . . 5315 1 36 . 1 1 4 4 ILE CB C 13 40.754 0.2 . 1 . . . . . . . . 5315 1 37 . 1 1 4 4 ILE HB H 1 1.684 0.01 . 1 . . . . . . . . 5315 1 38 . 1 1 4 4 ILE CG1 C 13 28.169 0.2 . 1 . . . . . . . . 5315 1 39 . 1 1 4 4 ILE HG12 H 1 1.591 0.01 . 1 . . . . . . . . 5315 1 40 . 1 1 4 4 ILE HG13 H 1 1.591 0.01 . 1 . . . . . . . . 5315 1 41 . 1 1 4 4 ILE CD1 C 13 15.334 0.2 . 1 . . . . . . . . 5315 1 42 . 1 1 4 4 ILE HD11 H 1 0.877 0.01 . 1 . . . . . . . . 5315 1 43 . 1 1 4 4 ILE HD12 H 1 0.877 0.01 . 1 . . . . . . . . 5315 1 44 . 1 1 4 4 ILE HD13 H 1 0.877 0.01 . 1 . . . . . . . . 5315 1 45 . 1 1 4 4 ILE CG2 C 13 17.502 0.2 . 1 . . . . . . . . 5315 1 46 . 1 1 4 4 ILE HG21 H 1 0.864 0.01 . 1 . . . . . . . . 5315 1 47 . 1 1 4 4 ILE HG22 H 1 0.864 0.01 . 1 . . . . . . . . 5315 1 48 . 1 1 4 4 ILE HG23 H 1 0.864 0.01 . 1 . . . . . . . . 5315 1 49 . 1 1 4 4 ILE C C 13 174.817 0.2 . 1 . . . . . . . . 5315 1 50 . 1 1 5 5 THR N N 15 118.627 0.2 . 1 . . . . . . . . 5315 1 51 . 1 1 5 5 THR H H 1 8.902 0.01 . 1 . . . . . . . . 5315 1 52 . 1 1 5 5 THR CA C 13 60.385 0.2 . 1 . . . . . . . . 5315 1 53 . 1 1 5 5 THR HA H 1 4.875 0.01 . 1 . . . . . . . . 5315 1 54 . 1 1 5 5 THR CB C 13 72.460 0.2 . 1 . . . . . . . . 5315 1 55 . 1 1 5 5 THR HB H 1 4.331 0.01 . 1 . . . . . . . . 5315 1 56 . 1 1 5 5 THR CG2 C 13 21.941 0.2 . 1 . . . . . . . . 5315 1 57 . 1 1 5 5 THR HG21 H 1 1.220 0.01 . 1 . . . . . . . . 5315 1 58 . 1 1 5 5 THR HG22 H 1 1.220 0.01 . 1 . . . . . . . . 5315 1 59 . 1 1 5 5 THR HG23 H 1 1.220 0.01 . 1 . . . . . . . . 5315 1 60 . 1 1 5 5 THR C C 13 172.788 0.2 . 1 . . . . . . . . 5315 1 61 . 1 1 6 6 SER N N 15 112.502 0.2 . 1 . . . . . . . . 5315 1 62 . 1 1 6 6 SER H H 1 8.467 0.01 . 1 . . . . . . . . 5315 1 63 . 1 1 6 6 SER CA C 13 57.798 0.2 . 1 . . . . . . . . 5315 1 64 . 1 1 6 6 SER HA H 1 5.201 0.01 . 1 . . . . . . . . 5315 1 65 . 1 1 6 6 SER CB C 13 66.514 0.2 . 1 . . . . . . . . 5315 1 66 . 1 1 6 6 SER HB2 H 1 4.059 0.01 . 2 . . . . . . . . 5315 1 67 . 1 1 6 6 SER HB3 H 1 3.843 0.01 . 2 . . . . . . . . 5315 1 68 . 1 1 6 6 SER C C 13 174.770 0.2 . 1 . . . . . . . . 5315 1 69 . 1 1 7 7 LYS N N 15 123.409 0.2 . 1 . . . . . . . . 5315 1 70 . 1 1 7 7 LYS H H 1 8.989 0.01 . 1 . . . . . . . . 5315 1 71 . 1 1 7 7 LYS CA C 13 56.843 0.2 . 1 . . . . . . . . 5315 1 72 . 1 1 7 7 LYS HA H 1 4.618 0.01 . 1 . . . . . . . . 5315 1 73 . 1 1 7 7 LYS CB C 13 34.012 0.2 . 1 . . . . . . . . 5315 1 74 . 1 1 7 7 LYS HB2 H 1 1.795 0.01 . 1 . . . . . . . . 5315 1 75 . 1 1 7 7 LYS HB3 H 1 1.961 0.01 . 1 . . . . . . . . 5315 1 76 . 1 1 7 7 LYS CG C 13 25.455 0.2 . 1 . . . . . . . . 5315 1 77 . 1 1 7 7 LYS HG2 H 1 1.482 0.01 . 1 . . . . . . . . 5315 1 78 . 1 1 7 7 LYS HG3 H 1 1.482 0.01 . 1 . . . . . . . . 5315 1 79 . 1 1 7 7 LYS CD C 13 29.533 0.2 . 1 . . . . . . . . 5315 1 80 . 1 1 7 7 LYS HD2 H 1 1.722 0.01 . 1 . . . . . . . . 5315 1 81 . 1 1 7 7 LYS HD3 H 1 1.722 0.01 . 1 . . . . . . . . 5315 1 82 . 1 1 7 7 LYS CE C 13 41.084 0.2 . 1 . . . . . . . . 5315 1 83 . 1 1 7 7 LYS HE2 H 1 2.989 0.01 . 1 . . . . . . . . 5315 1 84 . 1 1 7 7 LYS HE3 H 1 2.989 0.01 . 1 . . . . . . . . 5315 1 85 . 1 1 7 7 LYS C C 13 176.690 0.2 . 1 . . . . . . . . 5315 1 86 . 1 1 8 8 GLN N N 15 116.450 0.2 . 1 . . . . . . . . 5315 1 87 . 1 1 8 8 GLN H H 1 8.507 0.01 . 1 . . . . . . . . 5315 1 88 . 1 1 8 8 GLN CA C 13 57.277 0.2 . 1 . . . . . . . . 5315 1 89 . 1 1 8 8 GLN HA H 1 4.321 0.01 . 1 . . . . . . . . 5315 1 90 . 1 1 8 8 GLN CB C 13 30.452 0.2 . 1 . . . . . . . . 5315 1 91 . 1 1 8 8 GLN HB2 H 1 2.337 0.01 . 2 . . . . . . . . 5315 1 92 . 1 1 8 8 GLN HB3 H 1 2.143 0.01 . 2 . . . . . . . . 5315 1 93 . 1 1 8 8 GLN CG C 13 35.096 0.2 . 1 . . . . . . . . 5315 1 94 . 1 1 8 8 GLN HG2 H 1 2.322 0.01 . 2 . . . . . . . . 5315 1 95 . 1 1 8 8 GLN HG3 H 1 2.477 0.01 . 2 . . . . . . . . 5315 1 96 . 1 1 8 8 GLN NE2 N 15 111.694 0.2 . 1 . . . . . . . . 5315 1 97 . 1 1 8 8 GLN HE21 H 1 7.565 0.01 . 1 . . . . . . . . 5315 1 98 . 1 1 8 8 GLN HE22 H 1 6.998 0.01 . 1 . . . . . . . . 5315 1 99 . 1 1 8 8 GLN C C 13 174.407 0.2 . 1 . . . . . . . . 5315 1 100 . 1 1 9 9 MET N N 15 114.254 0.2 . 1 . . . . . . . . 5315 1 101 . 1 1 9 9 MET H H 1 7.567 0.01 . 1 . . . . . . . . 5315 1 102 . 1 1 9 9 MET CA C 13 54.932 0.2 . 1 . . . . . . . . 5315 1 103 . 1 1 9 9 MET HA H 1 4.698 0.01 . 1 . . . . . . . . 5315 1 104 . 1 1 9 9 MET CB C 13 35.278 0.2 . 1 . . . . . . . . 5315 1 105 . 1 1 9 9 MET HB2 H 1 2.090 0.01 . 2 . . . . . . . . 5315 1 106 . 1 1 9 9 MET HB3 H 1 2.170 0.01 . 2 . . . . . . . . 5315 1 107 . 1 1 9 9 MET CG C 13 30.688 0.2 . 1 . . . . . . . . 5315 1 108 . 1 1 9 9 MET HG2 H 1 2.586 0.01 . 1 . . . . . . . . 5315 1 109 . 1 1 9 9 MET HG3 H 1 2.586 0.01 . 1 . . . . . . . . 5315 1 110 . 1 1 9 9 MET CE C 13 17.750 0.2 . 1 . . . . . . . . 5315 1 111 . 1 1 9 9 MET HE1 H 1 2.016 0.01 . 1 . . . . . . . . 5315 1 112 . 1 1 9 9 MET HE2 H 1 2.016 0.01 . 1 . . . . . . . . 5315 1 113 . 1 1 9 9 MET HE3 H 1 2.016 0.01 . 1 . . . . . . . . 5315 1 114 . 1 1 9 9 MET C C 13 174.188 0.2 . 1 . . . . . . . . 5315 1 115 . 1 1 10 10 GLU N N 15 121.672 0.2 . 1 . . . . . . . . 5315 1 116 . 1 1 10 10 GLU H H 1 8.461 0.01 . 1 . . . . . . . . 5315 1 117 . 1 1 10 10 GLU CA C 13 55.924 0.2 . 1 . . . . . . . . 5315 1 118 . 1 1 10 10 GLU HA H 1 4.374 0.01 . 1 . . . . . . . . 5315 1 119 . 1 1 10 10 GLU CB C 13 31.018 0.2 . 1 . . . . . . . . 5315 1 120 . 1 1 10 10 GLU HB2 H 1 1.915 0.01 . 1 . . . . . . . . 5315 1 121 . 1 1 10 10 GLU HB3 H 1 1.915 0.01 . 1 . . . . . . . . 5315 1 122 . 1 1 10 10 GLU CG C 13 36.333 0.2 . 1 . . . . . . . . 5315 1 123 . 1 1 10 10 GLU HG2 H 1 2.117 0.01 . 2 . . . . . . . . 5315 1 124 . 1 1 10 10 GLU HG3 H 1 2.263 0.01 . 2 . . . . . . . . 5315 1 125 . 1 1 10 10 GLU C C 13 175.997 0.2 . 1 . . . . . . . . 5315 1 126 . 1 1 11 11 ILE N N 15 124.500 0.2 . 1 . . . . . . . . 5315 1 127 . 1 1 11 11 ILE H H 1 8.788 0.01 . 1 . . . . . . . . 5315 1 128 . 1 1 11 11 ILE CA C 13 59.609 0.2 . 1 . . . . . . . . 5315 1 129 . 1 1 11 11 ILE HA H 1 4.097 0.01 . 1 . . . . . . . . 5315 1 130 . 1 1 11 11 ILE CB C 13 35.605 0.2 . 1 . . . . . . . . 5315 1 131 . 1 1 11 11 ILE HB H 1 2.150 0.01 . 1 . . . . . . . . 5315 1 132 . 1 1 11 11 ILE CG1 C 13 26.273 0.2 . 1 . . . . . . . . 5315 1 133 . 1 1 11 11 ILE HG12 H 1 1.574 0.01 . 2 . . . . . . . . 5315 1 134 . 1 1 11 11 ILE HG13 H 1 1.378 0.01 . 2 . . . . . . . . 5315 1 135 . 1 1 11 11 ILE CD1 C 13 11.204 0.2 . 1 . . . . . . . . 5315 1 136 . 1 1 11 11 ILE HD11 H 1 0.671 0.01 . 1 . . . . . . . . 5315 1 137 . 1 1 11 11 ILE HD12 H 1 0.671 0.01 . 1 . . . . . . . . 5315 1 138 . 1 1 11 11 ILE HD13 H 1 0.671 0.01 . 1 . . . . . . . . 5315 1 139 . 1 1 11 11 ILE CG2 C 13 18.095 0.2 . 1 . . . . . . . . 5315 1 140 . 1 1 11 11 ILE HG21 H 1 0.836 0.01 . 1 . . . . . . . . 5315 1 141 . 1 1 11 11 ILE HG22 H 1 0.836 0.01 . 1 . . . . . . . . 5315 1 142 . 1 1 11 11 ILE HG23 H 1 0.836 0.01 . 1 . . . . . . . . 5315 1 143 . 1 1 11 11 ILE C C 13 175.662 0.2 . 1 . . . . . . . . 5315 1 144 . 1 1 12 12 THR N N 15 117.830 0.2 . 1 . . . . . . . . 5315 1 145 . 1 1 12 12 THR H H 1 6.712 0.01 . 1 . . . . . . . . 5315 1 146 . 1 1 12 12 THR CA C 13 59.466 0.2 . 1 . . . . . . . . 5315 1 147 . 1 1 12 12 THR HA H 1 4.814 0.01 . 1 . . . . . . . . 5315 1 148 . 1 1 12 12 THR CB C 13 68.892 0.2 . 1 . . . . . . . . 5315 1 149 . 1 1 12 12 THR HB H 1 4.769 0.01 . 1 . . . . . . . . 5315 1 150 . 1 1 12 12 THR CG2 C 13 22.418 0.2 . 1 . . . . . . . . 5315 1 151 . 1 1 12 12 THR HG21 H 1 1.297 0.01 . 1 . . . . . . . . 5315 1 152 . 1 1 12 12 THR HG22 H 1 1.297 0.01 . 1 . . . . . . . . 5315 1 153 . 1 1 12 12 THR HG23 H 1 1.297 0.01 . 1 . . . . . . . . 5315 1 154 . 1 1 12 12 THR C C 13 173.651 0.2 . 1 . . . . . . . . 5315 1 155 . 1 1 13 13 PRO CA C 13 66.063 0.2 . 1 . . . . . . . . 5315 1 156 . 1 1 13 13 PRO HA H 1 4.246 0.01 . 1 . . . . . . . . 5315 1 157 . 1 1 13 13 PRO CB C 13 32.045 0.2 . 1 . . . . . . . . 5315 1 158 . 1 1 13 13 PRO HB2 H 1 1.998 0.01 . 1 . . . . . . . . 5315 1 159 . 1 1 13 13 PRO HB3 H 1 2.453 0.01 . 1 . . . . . . . . 5315 1 160 . 1 1 13 13 PRO CG C 13 28.309 0.2 . 1 . . . . . . . . 5315 1 161 . 1 1 13 13 PRO HG2 H 1 2.265 0.01 . 1 . . . . . . . . 5315 1 162 . 1 1 13 13 PRO HG3 H 1 2.265 0.01 . 1 . . . . . . . . 5315 1 163 . 1 1 13 13 PRO CD C 13 50.832 0.2 . 1 . . . . . . . . 5315 1 164 . 1 1 13 13 PRO HD2 H 1 3.965 0.01 . 1 . . . . . . . . 5315 1 165 . 1 1 13 13 PRO HD3 H 1 3.965 0.01 . 1 . . . . . . . . 5315 1 166 . 1 1 13 13 PRO C C 13 178.910 0.2 . 1 . . . . . . . . 5315 1 167 . 1 1 14 14 ALA N N 15 118.285 0.2 . 1 . . . . . . . . 5315 1 168 . 1 1 14 14 ALA H H 1 8.020 0.01 . 1 . . . . . . . . 5315 1 169 . 1 1 14 14 ALA CA C 13 55.539 0.2 . 1 . . . . . . . . 5315 1 170 . 1 1 14 14 ALA HA H 1 4.189 0.01 . 1 . . . . . . . . 5315 1 171 . 1 1 14 14 ALA CB C 13 18.820 0.2 . 1 . . . . . . . . 5315 1 172 . 1 1 14 14 ALA HB1 H 1 1.452 0.01 . 1 . . . . . . . . 5315 1 173 . 1 1 14 14 ALA HB2 H 1 1.452 0.01 . 1 . . . . . . . . 5315 1 174 . 1 1 14 14 ALA HB3 H 1 1.452 0.01 . 1 . . . . . . . . 5315 1 175 . 1 1 14 14 ALA C C 13 180.932 0.2 . 1 . . . . . . . . 5315 1 176 . 1 1 15 15 ILE N N 15 120.043 0.2 . 1 . . . . . . . . 5315 1 177 . 1 1 15 15 ILE H H 1 7.560 0.01 . 1 . . . . . . . . 5315 1 178 . 1 1 15 15 ILE CA C 13 65.700 0.2 . 1 . . . . . . . . 5315 1 179 . 1 1 15 15 ILE HA H 1 3.760 0.01 . 1 . . . . . . . . 5315 1 180 . 1 1 15 15 ILE CB C 13 38.783 0.2 . 1 . . . . . . . . 5315 1 181 . 1 1 15 15 ILE HB H 1 1.865 0.01 . 1 . . . . . . . . 5315 1 182 . 1 1 15 15 ILE CG1 C 13 30.858 0.2 . 1 . . . . . . . . 5315 1 183 . 1 1 15 15 ILE HG12 H 1 1.776 0.01 . 1 . . . . . . . . 5315 1 184 . 1 1 15 15 ILE HG13 H 1 1.776 0.01 . 1 . . . . . . . . 5315 1 185 . 1 1 15 15 ILE CD1 C 13 14.531 0.2 . 1 . . . . . . . . 5315 1 186 . 1 1 15 15 ILE HD11 H 1 0.910 0.01 . 1 . . . . . . . . 5315 1 187 . 1 1 15 15 ILE HD12 H 1 0.910 0.01 . 1 . . . . . . . . 5315 1 188 . 1 1 15 15 ILE HD13 H 1 0.910 0.01 . 1 . . . . . . . . 5315 1 189 . 1 1 15 15 ILE CG2 C 13 17.809 0.2 . 1 . . . . . . . . 5315 1 190 . 1 1 15 15 ILE HG21 H 1 0.790 0.01 . 1 . . . . . . . . 5315 1 191 . 1 1 15 15 ILE HG22 H 1 0.790 0.01 . 1 . . . . . . . . 5315 1 192 . 1 1 15 15 ILE HG23 H 1 0.790 0.01 . 1 . . . . . . . . 5315 1 193 . 1 1 15 15 ILE C C 13 177.682 0.2 . 1 . . . . . . . . 5315 1 194 . 1 1 16 16 ARG N N 15 118.552 0.2 . 1 . . . . . . . . 5315 1 195 . 1 1 16 16 ARG H H 1 8.028 0.01 . 1 . . . . . . . . 5315 1 196 . 1 1 16 16 ARG CA C 13 60.886 0.2 . 1 . . . . . . . . 5315 1 197 . 1 1 16 16 ARG HA H 1 3.669 0.01 . 1 . . . . . . . . 5315 1 198 . 1 1 16 16 ARG CB C 13 30.244 0.2 . 1 . . . . . . . . 5315 1 199 . 1 1 16 16 ARG HB2 H 1 1.844 0.01 . 1 . . . . . . . . 5315 1 200 . 1 1 16 16 ARG HB3 H 1 1.844 0.01 . 1 . . . . . . . . 5315 1 201 . 1 1 16 16 ARG CG C 13 28.801 0.2 . 1 . . . . . . . . 5315 1 202 . 1 1 16 16 ARG HG2 H 1 1.671 0.01 . 2 . . . . . . . . 5315 1 203 . 1 1 16 16 ARG HG3 H 1 1.462 0.01 . 2 . . . . . . . . 5315 1 204 . 1 1 16 16 ARG CD C 13 43.463 0.2 . 1 . . . . . . . . 5315 1 205 . 1 1 16 16 ARG HD2 H 1 3.293 0.01 . 2 . . . . . . . . 5315 1 206 . 1 1 16 16 ARG HD3 H 1 3.188 0.01 . 2 . . . . . . . . 5315 1 207 . 1 1 16 16 ARG NE N 15 84.489 0.2 . 1 . . . . . . . . 5315 1 208 . 1 1 16 16 ARG HE H 1 7.481 0.01 . 1 . . . . . . . . 5315 1 209 . 1 1 16 16 ARG C C 13 178.469 0.2 . 1 . . . . . . . . 5315 1 210 . 1 1 17 17 GLN N N 15 117.905 0.2 . 1 . . . . . . . . 5315 1 211 . 1 1 17 17 GLN H H 1 8.477 0.01 . 1 . . . . . . . . 5315 1 212 . 1 1 17 17 GLN CA C 13 58.461 0.2 . 1 . . . . . . . . 5315 1 213 . 1 1 17 17 GLN HA H 1 3.950 0.01 . 1 . . . . . . . . 5315 1 214 . 1 1 17 17 GLN CB C 13 28.753 0.2 . 1 . . . . . . . . 5315 1 215 . 1 1 17 17 GLN HB2 H 1 2.205 0.01 . 1 . . . . . . . . 5315 1 216 . 1 1 17 17 GLN HB3 H 1 2.096 0.01 . 1 . . . . . . . . 5315 1 217 . 1 1 17 17 GLN CG C 13 33.875 0.2 . 1 . . . . . . . . 5315 1 218 . 1 1 17 17 GLN HG2 H 1 2.424 0.01 . 1 . . . . . . . . 5315 1 219 . 1 1 17 17 GLN HG3 H 1 2.424 0.01 . 1 . . . . . . . . 5315 1 220 . 1 1 17 17 GLN NE2 N 15 114.617 0.2 . 1 . . . . . . . . 5315 1 221 . 1 1 17 17 GLN HE21 H 1 7.770 0.01 . 1 . . . . . . . . 5315 1 222 . 1 1 17 17 GLN HE22 H 1 6.814 0.01 . 1 . . . . . . . . 5315 1 223 . 1 1 17 17 GLN C C 13 177.434 0.2 . 1 . . . . . . . . 5315 1 224 . 1 1 18 18 HIS N N 15 118.907 0.2 . 1 . . . . . . . . 5315 1 225 . 1 1 18 18 HIS H H 1 7.969 0.01 . 1 . . . . . . . . 5315 1 226 . 1 1 18 18 HIS CA C 13 60.424 0.2 . 1 . . . . . . . . 5315 1 227 . 1 1 18 18 HIS HA H 1 4.249 0.01 . 1 . . . . . . . . 5315 1 228 . 1 1 18 18 HIS CB C 13 30.748 0.2 . 1 . . . . . . . . 5315 1 229 . 1 1 18 18 HIS HB2 H 1 3.223 0.01 . 1 . . . . . . . . 5315 1 230 . 1 1 18 18 HIS HB3 H 1 3.223 0.01 . 1 . . . . . . . . 5315 1 231 . 1 1 18 18 HIS CD2 C 13 118.116 0.2 . 1 . . . . . . . . 5315 1 232 . 1 1 18 18 HIS HD2 H 1 6.472 0.01 . 1 . . . . . . . . 5315 1 233 . 1 1 18 18 HIS CE1 C 13 138.809 0.2 . 1 . . . . . . . . 5315 1 234 . 1 1 18 18 HIS HE1 H 1 7.936 0.01 . 1 . . . . . . . . 5315 1 235 . 1 1 18 18 HIS C C 13 177.988 0.2 . 1 . . . . . . . . 5315 1 236 . 1 1 19 19 VAL N N 15 116.780 0.2 . 1 . . . . . . . . 5315 1 237 . 1 1 19 19 VAL H H 1 8.156 0.01 . 1 . . . . . . . . 5315 1 238 . 1 1 19 19 VAL CA C 13 67.518 0.2 . 1 . . . . . . . . 5315 1 239 . 1 1 19 19 VAL HA H 1 3.260 0.01 . 1 . . . . . . . . 5315 1 240 . 1 1 19 19 VAL CB C 13 31.833 0.2 . 1 . . . . . . . . 5315 1 241 . 1 1 19 19 VAL HB H 1 2.148 0.01 . 1 . . . . . . . . 5315 1 242 . 1 1 19 19 VAL CG2 C 13 23.824 0.2 . 1 . . . . . . . . 5315 1 243 . 1 1 19 19 VAL HG21 H 1 1.085 0.01 . 1 . . . . . . . . 5315 1 244 . 1 1 19 19 VAL HG22 H 1 1.085 0.01 . 1 . . . . . . . . 5315 1 245 . 1 1 19 19 VAL HG23 H 1 1.085 0.01 . 1 . . . . . . . . 5315 1 246 . 1 1 19 19 VAL CG1 C 13 22.659 0.2 . 1 . . . . . . . . 5315 1 247 . 1 1 19 19 VAL HG11 H 1 0.855 0.01 . 1 . . . . . . . . 5315 1 248 . 1 1 19 19 VAL HG12 H 1 0.855 0.01 . 1 . . . . . . . . 5315 1 249 . 1 1 19 19 VAL HG13 H 1 0.855 0.01 . 1 . . . . . . . . 5315 1 250 . 1 1 19 19 VAL C C 13 177.147 0.2 . 1 . . . . . . . . 5315 1 251 . 1 1 20 20 ALA N N 15 121.436 0.2 . 1 . . . . . . . . 5315 1 252 . 1 1 20 20 ALA H H 1 8.272 0.01 . 1 . . . . . . . . 5315 1 253 . 1 1 20 20 ALA CA C 13 56.056 0.2 . 1 . . . . . . . . 5315 1 254 . 1 1 20 20 ALA HA H 1 3.910 0.01 . 1 . . . . . . . . 5315 1 255 . 1 1 20 20 ALA CB C 13 18.397 0.2 . 1 . . . . . . . . 5315 1 256 . 1 1 20 20 ALA HB1 H 1 1.479 0.01 . 1 . . . . . . . . 5315 1 257 . 1 1 20 20 ALA HB2 H 1 1.479 0.01 . 1 . . . . . . . . 5315 1 258 . 1 1 20 20 ALA HB3 H 1 1.479 0.01 . 1 . . . . . . . . 5315 1 259 . 1 1 20 20 ALA C C 13 180.711 0.2 . 1 . . . . . . . . 5315 1 260 . 1 1 21 21 ASP N N 15 118.717 0.2 . 1 . . . . . . . . 5315 1 261 . 1 1 21 21 ASP H H 1 8.531 0.01 . 1 . . . . . . . . 5315 1 262 . 1 1 21 21 ASP CA C 13 57.428 0.2 . 1 . . . . . . . . 5315 1 263 . 1 1 21 21 ASP HA H 1 4.329 0.01 . 1 . . . . . . . . 5315 1 264 . 1 1 21 21 ASP CB C 13 40.891 0.2 . 1 . . . . . . . . 5315 1 265 . 1 1 21 21 ASP HB2 H 1 2.559 0.01 . 1 . . . . . . . . 5315 1 266 . 1 1 21 21 ASP HB3 H 1 2.765 0.01 . 1 . . . . . . . . 5315 1 267 . 1 1 21 21 ASP C C 13 179.102 0.2 . 1 . . . . . . . . 5315 1 268 . 1 1 22 22 ARG N N 15 117.983 0.2 . 1 . . . . . . . . 5315 1 269 . 1 1 22 22 ARG H H 1 7.738 0.01 . 1 . . . . . . . . 5315 1 270 . 1 1 22 22 ARG CA C 13 57.514 0.2 . 1 . . . . . . . . 5315 1 271 . 1 1 22 22 ARG HA H 1 4.068 0.01 . 1 . . . . . . . . 5315 1 272 . 1 1 22 22 ARG CB C 13 29.457 0.2 . 1 . . . . . . . . 5315 1 273 . 1 1 22 22 ARG HB2 H 1 1.760 0.01 . 1 . . . . . . . . 5315 1 274 . 1 1 22 22 ARG HB3 H 1 1.760 0.01 . 1 . . . . . . . . 5315 1 275 . 1 1 22 22 ARG CG C 13 26.699 0.2 . 1 . . . . . . . . 5315 1 276 . 1 1 22 22 ARG HG2 H 1 1.523 0.01 . 2 . . . . . . . . 5315 1 277 . 1 1 22 22 ARG HG3 H 1 1.439 0.01 . 2 . . . . . . . . 5315 1 278 . 1 1 22 22 ARG CD C 13 42.467 0.2 . 1 . . . . . . . . 5315 1 279 . 1 1 22 22 ARG HD2 H 1 3.001 0.01 . 1 . . . . . . . . 5315 1 280 . 1 1 22 22 ARG HD3 H 1 3.001 0.01 . 1 . . . . . . . . 5315 1 281 . 1 1 22 22 ARG NE N 15 83.883 0.2 . 1 . . . . . . . . 5315 1 282 . 1 1 22 22 ARG HE H 1 7.209 0.01 . 1 . . . . . . . . 5315 1 283 . 1 1 22 22 ARG C C 13 179.696 0.2 . 1 . . . . . . . . 5315 1 284 . 1 1 23 23 LEU N N 15 119.677 0.2 . 1 . . . . . . . . 5315 1 285 . 1 1 23 23 LEU H H 1 8.471 0.01 . 1 . . . . . . . . 5315 1 286 . 1 1 23 23 LEU CA C 13 57.594 0.2 . 1 . . . . . . . . 5315 1 287 . 1 1 23 23 LEU HA H 1 3.959 0.01 . 1 . . . . . . . . 5315 1 288 . 1 1 23 23 LEU CB C 13 41.657 0.2 . 1 . . . . . . . . 5315 1 289 . 1 1 23 23 LEU HB2 H 1 1.396 0.01 . 2 . . . . . . . . 5315 1 290 . 1 1 23 23 LEU HB3 H 1 1.767 0.01 . 2 . . . . . . . . 5315 1 291 . 1 1 23 23 LEU CG C 13 27.160 0.2 . 1 . . . . . . . . 5315 1 292 . 1 1 23 23 LEU HG H 1 1.738 0.01 . 1 . . . . . . . . 5315 1 293 . 1 1 23 23 LEU CD1 C 13 26.316 0.2 . 1 . . . . . . . . 5315 1 294 . 1 1 23 23 LEU HD11 H 1 0.718 0.01 . 1 . . . . . . . . 5315 1 295 . 1 1 23 23 LEU HD12 H 1 0.718 0.01 . 1 . . . . . . . . 5315 1 296 . 1 1 23 23 LEU HD13 H 1 0.718 0.01 . 1 . . . . . . . . 5315 1 297 . 1 1 23 23 LEU CD2 C 13 23.593 0.2 . 1 . . . . . . . . 5315 1 298 . 1 1 23 23 LEU HD21 H 1 0.667 0.01 . 1 . . . . . . . . 5315 1 299 . 1 1 23 23 LEU HD22 H 1 0.667 0.01 . 1 . . . . . . . . 5315 1 300 . 1 1 23 23 LEU HD23 H 1 0.667 0.01 . 1 . . . . . . . . 5315 1 301 . 1 1 23 23 LEU C C 13 179.214 0.2 . 1 . . . . . . . . 5315 1 302 . 1 1 24 24 ALA N N 15 120.787 0.2 . 1 . . . . . . . . 5315 1 303 . 1 1 24 24 ALA H H 1 7.786 0.01 . 1 . . . . . . . . 5315 1 304 . 1 1 24 24 ALA CA C 13 54.812 0.2 . 1 . . . . . . . . 5315 1 305 . 1 1 24 24 ALA HA H 1 4.117 0.01 . 1 . . . . . . . . 5315 1 306 . 1 1 24 24 ALA CB C 13 18.361 0.2 . 1 . . . . . . . . 5315 1 307 . 1 1 24 24 ALA HB1 H 1 1.508 0.01 . 1 . . . . . . . . 5315 1 308 . 1 1 24 24 ALA HB2 H 1 1.508 0.01 . 1 . . . . . . . . 5315 1 309 . 1 1 24 24 ALA HB3 H 1 1.508 0.01 . 1 . . . . . . . . 5315 1 310 . 1 1 24 24 ALA C C 13 179.881 0.2 . 1 . . . . . . . . 5315 1 311 . 1 1 25 25 LYS N N 15 115.677 0.2 . 1 . . . . . . . . 5315 1 312 . 1 1 25 25 LYS H H 1 7.239 0.01 . 1 . . . . . . . . 5315 1 313 . 1 1 25 25 LYS CA C 13 57.890 0.2 . 1 . . . . . . . . 5315 1 314 . 1 1 25 25 LYS HA H 1 4.142 0.01 . 1 . . . . . . . . 5315 1 315 . 1 1 25 25 LYS CB C 13 32.462 0.2 . 1 . . . . . . . . 5315 1 316 . 1 1 25 25 LYS HB2 H 1 1.876 0.01 . 2 . . . . . . . . 5315 1 317 . 1 1 25 25 LYS HB3 H 1 1.955 0.01 . 2 . . . . . . . . 5315 1 318 . 1 1 25 25 LYS CG C 13 25.364 0.2 . 1 . . . . . . . . 5315 1 319 . 1 1 25 25 LYS HG2 H 1 1.568 0.01 . 1 . . . . . . . . 5315 1 320 . 1 1 25 25 LYS HG3 H 1 1.568 0.01 . 1 . . . . . . . . 5315 1 321 . 1 1 25 25 LYS CD C 13 29.147 0.2 . 1 . . . . . . . . 5315 1 322 . 1 1 25 25 LYS HD2 H 1 1.673 0.01 . 1 . . . . . . . . 5315 1 323 . 1 1 25 25 LYS HD3 H 1 1.673 0.01 . 1 . . . . . . . . 5315 1 324 . 1 1 25 25 LYS CE C 13 42.237 0.2 . 1 . . . . . . . . 5315 1 325 . 1 1 25 25 LYS C C 13 178.147 0.2 . 1 . . . . . . . . 5315 1 326 . 1 1 26 26 LEU N N 15 118.881 0.2 . 1 . . . . . . . . 5315 1 327 . 1 1 26 26 LEU H H 1 7.621 0.01 . 1 . . . . . . . . 5315 1 328 . 1 1 26 26 LEU CA C 13 55.691 0.2 . 1 . . . . . . . . 5315 1 329 . 1 1 26 26 LEU HA H 1 4.430 0.01 . 1 . . . . . . . . 5315 1 330 . 1 1 26 26 LEU CB C 13 41.308 0.2 . 1 . . . . . . . . 5315 1 331 . 1 1 26 26 LEU HB2 H 1 1.662 0.01 . 2 . . . . . . . . 5315 1 332 . 1 1 26 26 LEU HB3 H 1 1.940 0.01 . 2 . . . . . . . . 5315 1 333 . 1 1 26 26 LEU CG C 13 27.779 0.2 . 1 . . . . . . . . 5315 1 334 . 1 1 26 26 LEU HG H 1 1.800 0.01 . 1 . . . . . . . . 5315 1 335 . 1 1 26 26 LEU CD1 C 13 26.111 0.2 . 1 . . . . . . . . 5315 1 336 . 1 1 26 26 LEU HD11 H 1 0.842 0.01 . 1 . . . . . . . . 5315 1 337 . 1 1 26 26 LEU HD12 H 1 0.842 0.01 . 1 . . . . . . . . 5315 1 338 . 1 1 26 26 LEU HD13 H 1 0.842 0.01 . 1 . . . . . . . . 5315 1 339 . 1 1 26 26 LEU CD2 C 13 23.786 0.2 . 1 . . . . . . . . 5315 1 340 . 1 1 26 26 LEU HD21 H 1 0.808 0.01 . 1 . . . . . . . . 5315 1 341 . 1 1 26 26 LEU HD22 H 1 0.808 0.01 . 1 . . . . . . . . 5315 1 342 . 1 1 26 26 LEU HD23 H 1 0.808 0.01 . 1 . . . . . . . . 5315 1 343 . 1 1 26 26 LEU C C 13 177.961 0.2 . 1 . . . . . . . . 5315 1 344 . 1 1 27 27 GLU N N 15 120.364 0.2 . 1 . . . . . . . . 5315 1 345 . 1 1 27 27 GLU H H 1 7.818 0.01 . 1 . . . . . . . . 5315 1 346 . 1 1 27 27 GLU CA C 13 58.696 0.2 . 1 . . . . . . . . 5315 1 347 . 1 1 27 27 GLU HA H 1 4.117 0.01 . 1 . . . . . . . . 5315 1 348 . 1 1 27 27 GLU CB C 13 30.003 0.2 . 1 . . . . . . . . 5315 1 349 . 1 1 27 27 GLU HB2 H 1 2.020 0.01 . 2 . . . . . . . . 5315 1 350 . 1 1 27 27 GLU HB3 H 1 2.079 0.01 . 2 . . . . . . . . 5315 1 351 . 1 1 27 27 GLU HG2 H 1 2.272 0.01 . 2 . . . . . . . . 5315 1 352 . 1 1 27 27 GLU HG3 H 1 2.372 0.01 . 2 . . . . . . . . 5315 1 353 . 1 1 27 27 GLU C C 13 177.730 0.2 . 1 . . . . . . . . 5315 1 354 . 1 1 28 28 LYS H H 1 7.942 0.01 . 1 . . . . . . . . 5315 1 355 . 1 1 28 28 LYS CA C 13 57.963 0.2 . 1 . . . . . . . . 5315 1 356 . 1 1 28 28 LYS HA H 1 4.043 0.01 . 1 . . . . . . . . 5315 1 357 . 1 1 28 28 LYS CB C 13 32.005 0.2 . 1 . . . . . . . . 5315 1 358 . 1 1 28 28 LYS HB2 H 1 1.456 0.01 . 2 . . . . . . . . 5315 1 359 . 1 1 28 28 LYS HB3 H 1 1.519 0.01 . 2 . . . . . . . . 5315 1 360 . 1 1 28 28 LYS CG C 13 24.533 0.2 . 1 . . . . . . . . 5315 1 361 . 1 1 28 28 LYS HG2 H 1 1.052 0.01 . 2 . . . . . . . . 5315 1 362 . 1 1 28 28 LYS HG3 H 1 0.892 0.01 . 2 . . . . . . . . 5315 1 363 . 1 1 28 28 LYS CD C 13 29.319 0.2 . 1 . . . . . . . . 5315 1 364 . 1 1 28 28 LYS HD2 H 1 1.413 0.01 . 1 . . . . . . . . 5315 1 365 . 1 1 28 28 LYS HD3 H 1 1.413 0.01 . 1 . . . . . . . . 5315 1 366 . 1 1 28 28 LYS CE C 13 42.208 0.2 . 1 . . . . . . . . 5315 1 367 . 1 1 28 28 LYS HE2 H 1 2.717 0.01 . 1 . . . . . . . . 5315 1 368 . 1 1 28 28 LYS HE3 H 1 2.717 0.01 . 1 . . . . . . . . 5315 1 369 . 1 1 28 28 LYS C C 13 177.300 0.2 . 1 . . . . . . . . 5315 1 370 . 1 1 29 29 TRP N N 15 118.349 0.2 . 1 . . . . . . . . 5315 1 371 . 1 1 29 29 TRP H H 1 7.699 0.01 . 1 . . . . . . . . 5315 1 372 . 1 1 29 29 TRP CA C 13 58.003 0.2 . 1 . . . . . . . . 5315 1 373 . 1 1 29 29 TRP HA H 1 4.670 0.01 . 1 . . . . . . . . 5315 1 374 . 1 1 29 29 TRP CB C 13 29.783 0.2 . 1 . . . . . . . . 5315 1 375 . 1 1 29 29 TRP HB2 H 1 3.193 0.01 . 1 . . . . . . . . 5315 1 376 . 1 1 29 29 TRP HB3 H 1 3.476 0.01 . 1 . . . . . . . . 5315 1 377 . 1 1 29 29 TRP CD1 C 13 127.294 0.2 . 1 . . . . . . . . 5315 1 378 . 1 1 29 29 TRP HD1 H 1 7.273 0.01 . 1 . . . . . . . . 5315 1 379 . 1 1 29 29 TRP NE1 N 15 129.569 0.2 . 1 . . . . . . . . 5315 1 380 . 1 1 29 29 TRP HE1 H 1 10.450 0.01 . 1 . . . . . . . . 5315 1 381 . 1 1 29 29 TRP CZ2 C 13 114.752 0.2 . 1 . . . . . . . . 5315 1 382 . 1 1 29 29 TRP HZ2 H 1 7.449 0.01 . 1 . . . . . . . . 5315 1 383 . 1 1 29 29 TRP CH2 C 13 124.655 0.2 . 1 . . . . . . . . 5315 1 384 . 1 1 29 29 TRP HH2 H 1 7.140 0.01 . 1 . . . . . . . . 5315 1 385 . 1 1 29 29 TRP CZ3 C 13 121.842 0.2 . 1 . . . . . . . . 5315 1 386 . 1 1 29 29 TRP HZ3 H 1 6.989 0.01 . 1 . . . . . . . . 5315 1 387 . 1 1 29 29 TRP CE3 C 13 120.866 0.2 . 1 . . . . . . . . 5315 1 388 . 1 1 29 29 TRP HE3 H 1 7.474 0.01 . 1 . . . . . . . . 5315 1 389 . 1 1 29 29 TRP C C 13 176.769 0.2 . 1 . . . . . . . . 5315 1 390 . 1 1 30 30 GLN N N 15 117.710 0.2 . 1 . . . . . . . . 5315 1 391 . 1 1 30 30 GLN H H 1 7.942 0.01 . 1 . . . . . . . . 5315 1 392 . 1 1 30 30 GLN CA C 13 57.950 0.2 . 1 . . . . . . . . 5315 1 393 . 1 1 30 30 GLN HA H 1 4.007 0.01 . 1 . . . . . . . . 5315 1 394 . 1 1 30 30 GLN CB C 13 28.533 0.2 . 1 . . . . . . . . 5315 1 395 . 1 1 30 30 GLN HB2 H 1 2.104 0.01 . 1 . . . . . . . . 5315 1 396 . 1 1 30 30 GLN HB3 H 1 2.104 0.01 . 1 . . . . . . . . 5315 1 397 . 1 1 30 30 GLN CG C 13 33.989 0.2 . 1 . . . . . . . . 5315 1 398 . 1 1 30 30 GLN HG2 H 1 2.716 0.01 . 1 . . . . . . . . 5315 1 399 . 1 1 30 30 GLN HG3 H 1 2.716 0.01 . 1 . . . . . . . . 5315 1 400 . 1 1 30 30 GLN C C 13 176.472 0.2 . 1 . . . . . . . . 5315 1 401 . 1 1 31 31 THR N N 15 112.470 0.2 . 1 . . . . . . . . 5315 1 402 . 1 1 31 31 THR H H 1 7.952 0.01 . 1 . . . . . . . . 5315 1 403 . 1 1 31 31 THR CA C 13 63.191 0.2 . 1 . . . . . . . . 5315 1 404 . 1 1 31 31 THR HA H 1 4.209 0.01 . 1 . . . . . . . . 5315 1 405 . 1 1 31 31 THR CB C 13 69.636 0.2 . 1 . . . . . . . . 5315 1 406 . 1 1 31 31 THR HB H 1 4.112 0.01 . 1 . . . . . . . . 5315 1 407 . 1 1 31 31 THR CG2 C 13 21.905 0.2 . 1 . . . . . . . . 5315 1 408 . 1 1 31 31 THR HG21 H 1 1.147 0.01 . 1 . . . . . . . . 5315 1 409 . 1 1 31 31 THR HG22 H 1 1.147 0.01 . 1 . . . . . . . . 5315 1 410 . 1 1 31 31 THR HG23 H 1 1.147 0.01 . 1 . . . . . . . . 5315 1 411 . 1 1 31 31 THR C C 13 174.481 0.2 . 1 . . . . . . . . 5315 1 412 . 1 1 32 32 HIS CA C 13 56.550 0.2 . 1 . . . . . . . . 5315 1 413 . 1 1 32 32 HIS HA H 1 4.639 0.01 . 1 . . . . . . . . 5315 1 414 . 1 1 32 32 HIS CB C 13 30.500 0.2 . 1 . . . . . . . . 5315 1 415 . 1 1 32 32 HIS HB2 H 1 3.181 0.01 . 2 . . . . . . . . 5315 1 416 . 1 1 32 32 HIS HB3 H 1 3.115 0.01 . 2 . . . . . . . . 5315 1 417 . 1 1 32 32 HIS CD2 C 13 119.486 0.2 . 1 . . . . . . . . 5315 1 418 . 1 1 32 32 HIS HD2 H 1 7.128 0.01 . 1 . . . . . . . . 5315 1 419 . 1 1 32 32 HIS CE1 C 13 137.782 0.2 . 1 . . . . . . . . 5315 1 420 . 1 1 32 32 HIS HE1 H 1 8.251 0.01 . 1 . . . . . . . . 5315 1 421 . 1 1 32 32 HIS C C 13 173.800 0.2 . 1 . . . . . . . . 5315 1 422 . 1 1 33 33 LEU N N 15 121.040 0.2 . 1 . . . . . . . . 5315 1 423 . 1 1 33 33 LEU H H 1 8.006 0.01 . 1 . . . . . . . . 5315 1 424 . 1 1 33 33 LEU CA C 13 54.367 0.2 . 1 . . . . . . . . 5315 1 425 . 1 1 33 33 LEU HA H 1 4.448 0.01 . 1 . . . . . . . . 5315 1 426 . 1 1 33 33 LEU CB C 13 41.708 0.2 . 1 . . . . . . . . 5315 1 427 . 1 1 33 33 LEU HB2 H 1 1.277 0.01 . 2 . . . . . . . . 5315 1 428 . 1 1 33 33 LEU HB3 H 1 1.871 0.01 . 2 . . . . . . . . 5315 1 429 . 1 1 33 33 LEU HG H 1 1.810 0.01 . 1 . . . . . . . . 5315 1 430 . 1 1 33 33 LEU CD1 C 13 26.464 0.2 . 1 . . . . . . . . 5315 1 431 . 1 1 33 33 LEU HD11 H 1 0.897 0.01 . 1 . . . . . . . . 5315 1 432 . 1 1 33 33 LEU HD12 H 1 0.897 0.01 . 1 . . . . . . . . 5315 1 433 . 1 1 33 33 LEU HD13 H 1 0.897 0.01 . 1 . . . . . . . . 5315 1 434 . 1 1 33 33 LEU CD2 C 13 23.615 0.2 . 1 . . . . . . . . 5315 1 435 . 1 1 33 33 LEU HD21 H 1 0.772 0.01 . 1 . . . . . . . . 5315 1 436 . 1 1 33 33 LEU HD22 H 1 0.772 0.01 . 1 . . . . . . . . 5315 1 437 . 1 1 33 33 LEU HD23 H 1 0.772 0.01 . 1 . . . . . . . . 5315 1 438 . 1 1 34 34 ILE N N 15 122.700 0.2 . 1 . . . . . . . . 5315 1 439 . 1 1 34 34 ILE H H 1 8.180 0.01 . 1 . . . . . . . . 5315 1 440 . 1 1 34 34 ILE CA C 13 61.378 0.2 . 1 . . . . . . . . 5315 1 441 . 1 1 34 34 ILE HA H 1 4.068 0.01 . 1 . . . . . . . . 5315 1 442 . 1 1 34 34 ILE CB C 13 39.004 0.2 . 1 . . . . . . . . 5315 1 443 . 1 1 34 34 ILE HB H 1 1.671 0.01 . 1 . . . . . . . . 5315 1 444 . 1 1 34 34 ILE CG1 C 13 27.392 0.2 . 1 . . . . . . . . 5315 1 445 . 1 1 34 34 ILE HG12 H 1 1.387 0.01 . 2 . . . . . . . . 5315 1 446 . 1 1 34 34 ILE HG13 H 1 0.968 0.01 . 2 . . . . . . . . 5315 1 447 . 1 1 34 34 ILE CD1 C 13 13.389 0.2 . 1 . . . . . . . . 5315 1 448 . 1 1 34 34 ILE HD11 H 1 0.681 0.01 . 1 . . . . . . . . 5315 1 449 . 1 1 34 34 ILE HD12 H 1 0.681 0.01 . 1 . . . . . . . . 5315 1 450 . 1 1 34 34 ILE HD13 H 1 0.681 0.01 . 1 . . . . . . . . 5315 1 451 . 1 1 34 34 ILE CG2 C 13 17.850 0.2 . 1 . . . . . . . . 5315 1 452 . 1 1 34 34 ILE HG21 H 1 0.847 0.01 . 1 . . . . . . . . 5315 1 453 . 1 1 34 34 ILE HG22 H 1 0.847 0.01 . 1 . . . . . . . . 5315 1 454 . 1 1 34 34 ILE HG23 H 1 0.847 0.01 . 1 . . . . . . . . 5315 1 455 . 1 1 34 34 ILE C C 13 175.096 0.2 . 1 . . . . . . . . 5315 1 456 . 1 1 35 35 ASN N N 15 122.026 0.2 . 1 . . . . . . . . 5315 1 457 . 1 1 35 35 ASN H H 1 8.782 0.01 . 1 . . . . . . . . 5315 1 458 . 1 1 35 35 ASN CA C 13 53.062 0.2 . 1 . . . . . . . . 5315 1 459 . 1 1 35 35 ASN HA H 1 4.794 0.01 . 1 . . . . . . . . 5315 1 460 . 1 1 35 35 ASN CB C 13 38.913 0.2 . 1 . . . . . . . . 5315 1 461 . 1 1 35 35 ASN HB2 H 1 2.803 0.01 . 1 . . . . . . . . 5315 1 462 . 1 1 35 35 ASN HB3 H 1 2.924 0.01 . 1 . . . . . . . . 5315 1 463 . 1 1 35 35 ASN C C 13 172.388 0.2 . 1 . . . . . . . . 5315 1 464 . 1 1 36 36 PRO CA C 13 64.110 0.2 . 1 . . . . . . . . 5315 1 465 . 1 1 36 36 PRO HA H 1 4.560 0.01 . 1 . . . . . . . . 5315 1 466 . 1 1 36 36 PRO CB C 13 32.443 0.2 . 1 . . . . . . . . 5315 1 467 . 1 1 36 36 PRO HB2 H 1 1.743 0.01 . 1 . . . . . . . . 5315 1 468 . 1 1 36 36 PRO HB3 H 1 1.895 0.01 . 1 . . . . . . . . 5315 1 469 . 1 1 36 36 PRO CG C 13 28.145 0.2 . 1 . . . . . . . . 5315 1 470 . 1 1 36 36 PRO HG2 H 1 1.846 0.01 . 2 . . . . . . . . 5315 1 471 . 1 1 36 36 PRO HG3 H 1 2.128 0.01 . 2 . . . . . . . . 5315 1 472 . 1 1 36 36 PRO CD C 13 50.457 0.2 . 1 . . . . . . . . 5315 1 473 . 1 1 36 36 PRO HD2 H 1 3.751 0.01 . 2 . . . . . . . . 5315 1 474 . 1 1 36 36 PRO HD3 H 1 3.553 0.01 . 2 . . . . . . . . 5315 1 475 . 1 1 36 36 PRO C C 13 175.824 0.2 . 1 . . . . . . . . 5315 1 476 . 1 1 37 37 HIS N N 15 122.188 0.2 . 1 . . . . . . . . 5315 1 477 . 1 1 37 37 HIS H H 1 8.540 0.01 . 1 . . . . . . . . 5315 1 478 . 1 1 37 37 HIS CA C 13 54.151 0.2 . 1 . . . . . . . . 5315 1 479 . 1 1 37 37 HIS HA H 1 5.570 0.01 . 1 . . . . . . . . 5315 1 480 . 1 1 37 37 HIS CB C 13 31.020 0.2 . 1 . . . . . . . . 5315 1 481 . 1 1 37 37 HIS HB2 H 1 3.326 0.01 . 2 . . . . . . . . 5315 1 482 . 1 1 37 37 HIS HB3 H 1 3.181 0.01 . 2 . . . . . . . . 5315 1 483 . 1 1 37 37 HIS CD2 C 13 119.732 0.2 . 1 . . . . . . . . 5315 1 484 . 1 1 37 37 HIS HD2 H 1 7.141 0.01 . 1 . . . . . . . . 5315 1 485 . 1 1 37 37 HIS CE1 C 13 137.210 0.2 . 1 . . . . . . . . 5315 1 486 . 1 1 37 37 HIS HE1 H 1 8.268 0.01 . 1 . . . . . . . . 5315 1 487 . 1 1 37 37 HIS C C 13 174.005 0.2 . 1 . . . . . . . . 5315 1 488 . 1 1 38 38 ILE N N 15 127.163 0.2 . 1 . . . . . . . . 5315 1 489 . 1 1 38 38 ILE H H 1 8.927 0.01 . 1 . . . . . . . . 5315 1 490 . 1 1 38 38 ILE CA C 13 59.629 0.2 . 1 . . . . . . . . 5315 1 491 . 1 1 38 38 ILE HA H 1 5.069 0.01 . 1 . . . . . . . . 5315 1 492 . 1 1 38 38 ILE CB C 13 40.426 0.2 . 1 . . . . . . . . 5315 1 493 . 1 1 38 38 ILE HB H 1 1.797 0.01 . 1 . . . . . . . . 5315 1 494 . 1 1 38 38 ILE CG1 C 13 28.799 0.2 . 1 . . . . . . . . 5315 1 495 . 1 1 38 38 ILE HG12 H 1 1.473 0.01 . 2 . . . . . . . . 5315 1 496 . 1 1 38 38 ILE HG13 H 1 1.153 0.01 . 2 . . . . . . . . 5315 1 497 . 1 1 38 38 ILE CD1 C 13 13.571 0.2 . 1 . . . . . . . . 5315 1 498 . 1 1 38 38 ILE HD11 H 1 0.753 0.01 . 1 . . . . . . . . 5315 1 499 . 1 1 38 38 ILE HD12 H 1 0.753 0.01 . 1 . . . . . . . . 5315 1 500 . 1 1 38 38 ILE HD13 H 1 0.753 0.01 . 1 . . . . . . . . 5315 1 501 . 1 1 38 38 ILE CG2 C 13 17.499 0.2 . 1 . . . . . . . . 5315 1 502 . 1 1 38 38 ILE HG21 H 1 0.813 0.01 . 1 . . . . . . . . 5315 1 503 . 1 1 38 38 ILE HG22 H 1 0.813 0.01 . 1 . . . . . . . . 5315 1 504 . 1 1 38 38 ILE HG23 H 1 0.813 0.01 . 1 . . . . . . . . 5315 1 505 . 1 1 38 38 ILE C C 13 174.136 0.2 . 1 . . . . . . . . 5315 1 506 . 1 1 39 39 ILE N N 15 127.777 0.2 . 1 . . . . . . . . 5315 1 507 . 1 1 39 39 ILE H H 1 9.183 0.01 . 1 . . . . . . . . 5315 1 508 . 1 1 39 39 ILE CA C 13 60.383 0.2 . 1 . . . . . . . . 5315 1 509 . 1 1 39 39 ILE HA H 1 4.929 0.01 . 1 . . . . . . . . 5315 1 510 . 1 1 39 39 ILE CB C 13 41.018 0.2 . 1 . . . . . . . . 5315 1 511 . 1 1 39 39 ILE HB H 1 1.696 0.01 . 1 . . . . . . . . 5315 1 512 . 1 1 39 39 ILE CG1 C 13 28.031 0.2 . 1 . . . . . . . . 5315 1 513 . 1 1 39 39 ILE HG12 H 1 0.833 0.01 . 2 . . . . . . . . 5315 1 514 . 1 1 39 39 ILE HG13 H 1 1.179 0.01 . 2 . . . . . . . . 5315 1 515 . 1 1 39 39 ILE CD1 C 13 14.277 0.2 . 1 . . . . . . . . 5315 1 516 . 1 1 39 39 ILE HD11 H 1 0.667 0.01 . 1 . . . . . . . . 5315 1 517 . 1 1 39 39 ILE HD12 H 1 0.667 0.01 . 1 . . . . . . . . 5315 1 518 . 1 1 39 39 ILE HD13 H 1 0.667 0.01 . 1 . . . . . . . . 5315 1 519 . 1 1 39 39 ILE CG2 C 13 18.381 0.2 . 1 . . . . . . . . 5315 1 520 . 1 1 39 39 ILE HG21 H 1 0.858 0.01 . 1 . . . . . . . . 5315 1 521 . 1 1 39 39 ILE HG22 H 1 0.858 0.01 . 1 . . . . . . . . 5315 1 522 . 1 1 39 39 ILE HG23 H 1 0.858 0.01 . 1 . . . . . . . . 5315 1 523 . 1 1 39 39 ILE C C 13 176.050 0.2 . 1 . . . . . . . . 5315 1 524 . 1 1 40 40 LEU N N 15 128.877 0.2 . 1 . . . . . . . . 5315 1 525 . 1 1 40 40 LEU H H 1 8.789 0.01 . 1 . . . . . . . . 5315 1 526 . 1 1 40 40 LEU CA C 13 53.457 0.2 . 1 . . . . . . . . 5315 1 527 . 1 1 40 40 LEU HA H 1 5.477 0.01 . 1 . . . . . . . . 5315 1 528 . 1 1 40 40 LEU CB C 13 45.407 0.2 . 1 . . . . . . . . 5315 1 529 . 1 1 40 40 LEU HB2 H 1 1.535 0.01 . 1 . . . . . . . . 5315 1 530 . 1 1 40 40 LEU HB3 H 1 1.656 0.01 . 1 . . . . . . . . 5315 1 531 . 1 1 40 40 LEU CG C 13 27.804 0.2 . 1 . . . . . . . . 5315 1 532 . 1 1 40 40 LEU HG H 1 1.656 0.01 . 1 . . . . . . . . 5315 1 533 . 1 1 40 40 LEU CD1 C 13 25.682 0.2 . 1 . . . . . . . . 5315 1 534 . 1 1 40 40 LEU HD11 H 1 0.827 0.01 . 1 . . . . . . . . 5315 1 535 . 1 1 40 40 LEU HD12 H 1 0.827 0.01 . 1 . . . . . . . . 5315 1 536 . 1 1 40 40 LEU HD13 H 1 0.827 0.01 . 1 . . . . . . . . 5315 1 537 . 1 1 40 40 LEU CD2 C 13 24.970 0.2 . 1 . . . . . . . . 5315 1 538 . 1 1 40 40 LEU HD21 H 1 0.822 0.01 . 1 . . . . . . . . 5315 1 539 . 1 1 40 40 LEU HD22 H 1 0.822 0.01 . 1 . . . . . . . . 5315 1 540 . 1 1 40 40 LEU HD23 H 1 0.822 0.01 . 1 . . . . . . . . 5315 1 541 . 1 1 40 40 LEU C C 13 176.081 0.2 . 1 . . . . . . . . 5315 1 542 . 1 1 41 41 SER N N 15 120.370 0.2 . 1 . . . . . . . . 5315 1 543 . 1 1 41 41 SER H H 1 9.607 0.01 . 1 . . . . . . . . 5315 1 544 . 1 1 41 41 SER CA C 13 57.540 0.2 . 1 . . . . . . . . 5315 1 545 . 1 1 41 41 SER HA H 1 5.131 0.01 . 1 . . . . . . . . 5315 1 546 . 1 1 41 41 SER CB C 13 65.888 0.2 . 1 . . . . . . . . 5315 1 547 . 1 1 41 41 SER HB2 H 1 3.839 0.01 . 2 . . . . . . . . 5315 1 548 . 1 1 41 41 SER HB3 H 1 3.749 0.01 . 2 . . . . . . . . 5315 1 549 . 1 1 41 41 SER C C 13 172.159 0.2 . 1 . . . . . . . . 5315 1 550 . 1 1 42 42 LYS N N 15 123.511 0.2 . 1 . . . . . . . . 5315 1 551 . 1 1 42 42 LYS H H 1 8.305 0.01 . 1 . . . . . . . . 5315 1 552 . 1 1 42 42 LYS CA C 13 55.707 0.2 . 1 . . . . . . . . 5315 1 553 . 1 1 42 42 LYS HA H 1 4.435 0.01 . 1 . . . . . . . . 5315 1 554 . 1 1 42 42 LYS CB C 13 34.915 0.2 . 1 . . . . . . . . 5315 1 555 . 1 1 42 42 LYS HB2 H 1 1.451 0.01 . 2 . . . . . . . . 5315 1 556 . 1 1 42 42 LYS HB3 H 1 1.709 0.01 . 2 . . . . . . . . 5315 1 557 . 1 1 42 42 LYS CG C 13 25.088 0.2 . 1 . . . . . . . . 5315 1 558 . 1 1 42 42 LYS HG2 H 1 1.007 0.01 . 2 . . . . . . . . 5315 1 559 . 1 1 42 42 LYS HG3 H 1 0.757 0.01 . 2 . . . . . . . . 5315 1 560 . 1 1 42 42 LYS CD C 13 28.914 0.2 . 1 . . . . . . . . 5315 1 561 . 1 1 42 42 LYS HD2 H 1 1.443 0.01 . 2 . . . . . . . . 5315 1 562 . 1 1 42 42 LYS HD3 H 1 1.200 0.01 . 2 . . . . . . . . 5315 1 563 . 1 1 42 42 LYS CE C 13 42.547 0.2 . 1 . . . . . . . . 5315 1 564 . 1 1 42 42 LYS HE2 H 1 2.762 0.01 . 1 . . . . . . . . 5315 1 565 . 1 1 42 42 LYS HE3 H 1 2.762 0.01 . 1 . . . . . . . . 5315 1 566 . 1 1 42 42 LYS C C 13 174.826 0.2 . 1 . . . . . . . . 5315 1 567 . 1 1 43 43 GLU N N 15 127.385 0.2 . 1 . . . . . . . . 5315 1 568 . 1 1 43 43 GLU H H 1 8.485 0.01 . 1 . . . . . . . . 5315 1 569 . 1 1 43 43 GLU CA C 13 54.248 0.2 . 1 . . . . . . . . 5315 1 570 . 1 1 43 43 GLU HA H 1 4.767 0.01 . 1 . . . . . . . . 5315 1 571 . 1 1 43 43 GLU CB C 13 30.260 0.2 . 1 . . . . . . . . 5315 1 572 . 1 1 43 43 GLU HB2 H 1 1.733 0.01 . 2 . . . . . . . . 5315 1 573 . 1 1 43 43 GLU HB3 H 1 2.187 0.01 . 2 . . . . . . . . 5315 1 574 . 1 1 43 43 GLU CG C 13 35.939 0.2 . 1 . . . . . . . . 5315 1 575 . 1 1 43 43 GLU HG2 H 1 2.089 0.01 . 1 . . . . . . . . 5315 1 576 . 1 1 43 43 GLU HG3 H 1 2.089 0.01 . 1 . . . . . . . . 5315 1 577 . 1 1 43 43 GLU C C 13 175.250 0.2 . 1 . . . . . . . . 5315 1 578 . 1 1 44 44 PRO CA C 13 66.541 0.2 . 1 . . . . . . . . 5315 1 579 . 1 1 44 44 PRO HA H 1 4.142 0.01 . 1 . . . . . . . . 5315 1 580 . 1 1 44 44 PRO CB C 13 31.924 0.2 . 1 . . . . . . . . 5315 1 581 . 1 1 44 44 PRO HB2 H 1 1.805 0.01 . 1 . . . . . . . . 5315 1 582 . 1 1 44 44 PRO HB3 H 1 2.341 0.01 . 1 . . . . . . . . 5315 1 583 . 1 1 44 44 PRO CG C 13 28.461 0.2 . 1 . . . . . . . . 5315 1 584 . 1 1 44 44 PRO HG2 H 1 1.951 0.01 . 2 . . . . . . . . 5315 1 585 . 1 1 44 44 PRO HG3 H 1 2.158 0.01 . 2 . . . . . . . . 5315 1 586 . 1 1 44 44 PRO CD C 13 50.724 0.2 . 1 . . . . . . . . 5315 1 587 . 1 1 44 44 PRO HD2 H 1 3.770 0.01 . 1 . . . . . . . . 5315 1 588 . 1 1 44 44 PRO HD3 H 1 3.770 0.01 . 1 . . . . . . . . 5315 1 589 . 1 1 44 44 PRO C C 13 178.089 0.2 . 1 . . . . . . . . 5315 1 590 . 1 1 45 45 GLN N N 15 110.882 0.2 . 1 . . . . . . . . 5315 1 591 . 1 1 45 45 GLN H H 1 8.054 0.01 . 1 . . . . . . . . 5315 1 592 . 1 1 45 45 GLN CA C 13 56.200 0.2 . 1 . . . . . . . . 5315 1 593 . 1 1 45 45 GLN HA H 1 4.330 0.01 . 1 . . . . . . . . 5315 1 594 . 1 1 45 45 GLN CB C 13 28.610 0.2 . 1 . . . . . . . . 5315 1 595 . 1 1 45 45 GLN HB2 H 1 1.927 0.01 . 2 . . . . . . . . 5315 1 596 . 1 1 45 45 GLN HB3 H 1 2.126 0.01 . 2 . . . . . . . . 5315 1 597 . 1 1 45 45 GLN CG C 13 34.263 0.2 . 1 . . . . . . . . 5315 1 598 . 1 1 45 45 GLN HG2 H 1 2.290 0.01 . 1 . . . . . . . . 5315 1 599 . 1 1 45 45 GLN HG3 H 1 2.290 0.01 . 1 . . . . . . . . 5315 1 600 . 1 1 45 45 GLN NE2 N 15 112.436 0.2 . 1 . . . . . . . . 5315 1 601 . 1 1 45 45 GLN HE21 H 1 7.490 0.01 . 1 . . . . . . . . 5315 1 602 . 1 1 45 45 GLN HE22 H 1 6.885 0.01 . 1 . . . . . . . . 5315 1 603 . 1 1 45 45 GLN C C 13 175.587 0.2 . 1 . . . . . . . . 5315 1 604 . 1 1 46 46 GLY N N 15 107.621 0.2 . 1 . . . . . . . . 5315 1 605 . 1 1 46 46 GLY H H 1 7.433 0.01 . 1 . . . . . . . . 5315 1 606 . 1 1 46 46 GLY CA C 13 45.794 0.2 . 1 . . . . . . . . 5315 1 607 . 1 1 46 46 GLY HA2 H 1 3.751 0.01 . 2 . . . . . . . . 5315 1 608 . 1 1 46 46 GLY HA3 H 1 4.191 0.01 . 2 . . . . . . . . 5315 1 609 . 1 1 46 46 GLY C C 13 171.343 0.2 . 1 . . . . . . . . 5315 1 610 . 1 1 47 47 PHE N N 15 118.332 0.2 . 1 . . . . . . . . 5315 1 611 . 1 1 47 47 PHE H H 1 8.607 0.01 . 1 . . . . . . . . 5315 1 612 . 1 1 47 47 PHE CA C 13 58.388 0.2 . 1 . . . . . . . . 5315 1 613 . 1 1 47 47 PHE HA H 1 5.050 0.01 . 1 . . . . . . . . 5315 1 614 . 1 1 47 47 PHE CB C 13 42.395 0.2 . 1 . . . . . . . . 5315 1 615 . 1 1 47 47 PHE HB2 H 1 2.849 0.01 . 2 . . . . . . . . 5315 1 616 . 1 1 47 47 PHE HB3 H 1 2.829 0.01 . 2 . . . . . . . . 5315 1 617 . 1 1 47 47 PHE CD1 C 13 131.979 0.2 . 1 . . . . . . . . 5315 1 618 . 1 1 47 47 PHE HD1 H 1 7.205 0.01 . 1 . . . . . . . . 5315 1 619 . 1 1 47 47 PHE CE1 C 13 131.952 0.2 . 1 . . . . . . . . 5315 1 620 . 1 1 47 47 PHE HE1 H 1 7.504 0.01 . 1 . . . . . . . . 5315 1 621 . 1 1 47 47 PHE CZ C 13 130.135 0.2 . 1 . . . . . . . . 5315 1 622 . 1 1 47 47 PHE HZ H 1 7.404 0.01 . 1 . . . . . . . . 5315 1 623 . 1 1 47 47 PHE CE2 C 13 131.952 0.2 . 1 . . . . . . . . 5315 1 624 . 1 1 47 47 PHE HE2 H 1 7.504 0.01 . 1 . . . . . . . . 5315 1 625 . 1 1 47 47 PHE CD2 C 13 131.979 0.2 . 1 . . . . . . . . 5315 1 626 . 1 1 47 47 PHE HD2 H 1 7.205 0.01 . 1 . . . . . . . . 5315 1 627 . 1 1 47 47 PHE C C 13 175.502 0.2 . 1 . . . . . . . . 5315 1 628 . 1 1 48 48 VAL N N 15 121.015 0.2 . 1 . . . . . . . . 5315 1 629 . 1 1 48 48 VAL H H 1 8.858 0.01 . 1 . . . . . . . . 5315 1 630 . 1 1 48 48 VAL CA C 13 61.510 0.2 . 1 . . . . . . . . 5315 1 631 . 1 1 48 48 VAL HA H 1 4.780 0.01 . 1 . . . . . . . . 5315 1 632 . 1 1 48 48 VAL CB C 13 34.969 0.2 . 1 . . . . . . . . 5315 1 633 . 1 1 48 48 VAL HB H 1 1.923 0.01 . 1 . . . . . . . . 5315 1 634 . 1 1 48 48 VAL CG2 C 13 21.552 0.2 . 1 . . . . . . . . 5315 1 635 . 1 1 48 48 VAL HG21 H 1 0.753 0.01 . 1 . . . . . . . . 5315 1 636 . 1 1 48 48 VAL HG22 H 1 0.753 0.01 . 1 . . . . . . . . 5315 1 637 . 1 1 48 48 VAL HG23 H 1 0.753 0.01 . 1 . . . . . . . . 5315 1 638 . 1 1 48 48 VAL CG1 C 13 22.102 0.2 . 1 . . . . . . . . 5315 1 639 . 1 1 48 48 VAL HG11 H 1 0.876 0.01 . 1 . . . . . . . . 5315 1 640 . 1 1 48 48 VAL HG12 H 1 0.876 0.01 . 1 . . . . . . . . 5315 1 641 . 1 1 48 48 VAL HG13 H 1 0.876 0.01 . 1 . . . . . . . . 5315 1 642 . 1 1 48 48 VAL C C 13 174.147 0.2 . 1 . . . . . . . . 5315 1 643 . 1 1 49 49 ALA N N 15 130.862 0.2 . 1 . . . . . . . . 5315 1 644 . 1 1 49 49 ALA H H 1 9.436 0.01 . 1 . . . . . . . . 5315 1 645 . 1 1 49 49 ALA CA C 13 49.964 0.2 . 1 . . . . . . . . 5315 1 646 . 1 1 49 49 ALA HA H 1 5.400 0.01 . 1 . . . . . . . . 5315 1 647 . 1 1 49 49 ALA CB C 13 21.846 0.2 . 1 . . . . . . . . 5315 1 648 . 1 1 49 49 ALA HB1 H 1 1.089 0.01 . 1 . . . . . . . . 5315 1 649 . 1 1 49 49 ALA HB2 H 1 1.089 0.01 . 1 . . . . . . . . 5315 1 650 . 1 1 49 49 ALA HB3 H 1 1.089 0.01 . 1 . . . . . . . . 5315 1 651 . 1 1 49 49 ALA C C 13 174.216 0.2 . 1 . . . . . . . . 5315 1 652 . 1 1 50 50 ASP N N 15 123.709 0.2 . 1 . . . . . . . . 5315 1 653 . 1 1 50 50 ASP H H 1 9.118 0.01 . 1 . . . . . . . . 5315 1 654 . 1 1 50 50 ASP CA C 13 53.840 0.2 . 1 . . . . . . . . 5315 1 655 . 1 1 50 50 ASP HA H 1 5.554 0.01 . 1 . . . . . . . . 5315 1 656 . 1 1 50 50 ASP CB C 13 45.975 0.2 . 1 . . . . . . . . 5315 1 657 . 1 1 50 50 ASP HB2 H 1 2.487 0.01 . 1 . . . . . . . . 5315 1 658 . 1 1 50 50 ASP HB3 H 1 2.726 0.01 . 1 . . . . . . . . 5315 1 659 . 1 1 50 50 ASP C C 13 175.266 0.2 . 1 . . . . . . . . 5315 1 660 . 1 1 51 51 ALA N N 15 119.812 0.2 . 1 . . . . . . . . 5315 1 661 . 1 1 51 51 ALA H H 1 8.746 0.01 . 1 . . . . . . . . 5315 1 662 . 1 1 51 51 ALA CA C 13 51.583 0.2 . 1 . . . . . . . . 5315 1 663 . 1 1 51 51 ALA HA H 1 5.518 0.01 . 1 . . . . . . . . 5315 1 664 . 1 1 51 51 ALA CB C 13 25.273 0.2 . 1 . . . . . . . . 5315 1 665 . 1 1 51 51 ALA HB1 H 1 1.324 0.01 . 1 . . . . . . . . 5315 1 666 . 1 1 51 51 ALA HB2 H 1 1.324 0.01 . 1 . . . . . . . . 5315 1 667 . 1 1 51 51 ALA HB3 H 1 1.324 0.01 . 1 . . . . . . . . 5315 1 668 . 1 1 51 51 ALA C C 13 176.374 0.2 . 1 . . . . . . . . 5315 1 669 . 1 1 52 52 THR N N 15 115.269 0.2 . 1 . . . . . . . . 5315 1 670 . 1 1 52 52 THR H H 1 8.433 0.01 . 1 . . . . . . . . 5315 1 671 . 1 1 52 52 THR CA C 13 61.909 0.2 . 1 . . . . . . . . 5315 1 672 . 1 1 52 52 THR HA H 1 5.174 0.01 . 1 . . . . . . . . 5315 1 673 . 1 1 52 52 THR CB C 13 71.413 0.2 . 1 . . . . . . . . 5315 1 674 . 1 1 52 52 THR HB H 1 3.990 0.01 . 1 . . . . . . . . 5315 1 675 . 1 1 52 52 THR CG2 C 13 21.831 0.2 . 1 . . . . . . . . 5315 1 676 . 1 1 52 52 THR HG21 H 1 1.145 0.01 . 1 . . . . . . . . 5315 1 677 . 1 1 52 52 THR HG22 H 1 1.145 0.01 . 1 . . . . . . . . 5315 1 678 . 1 1 52 52 THR HG23 H 1 1.145 0.01 . 1 . . . . . . . . 5315 1 679 . 1 1 52 52 THR C C 13 174.586 0.2 . 1 . . . . . . . . 5315 1 680 . 1 1 53 53 ILE N N 15 124.467 0.2 . 1 . . . . . . . . 5315 1 681 . 1 1 53 53 ILE H H 1 9.288 0.01 . 1 . . . . . . . . 5315 1 682 . 1 1 53 53 ILE CA C 13 60.543 0.2 . 1 . . . . . . . . 5315 1 683 . 1 1 53 53 ILE HA H 1 4.457 0.01 . 1 . . . . . . . . 5315 1 684 . 1 1 53 53 ILE CB C 13 42.057 0.2 . 1 . . . . . . . . 5315 1 685 . 1 1 53 53 ILE HB H 1 1.799 0.01 . 1 . . . . . . . . 5315 1 686 . 1 1 53 53 ILE CG1 C 13 27.297 0.2 . 1 . . . . . . . . 5315 1 687 . 1 1 53 53 ILE HG12 H 1 1.513 0.01 . 2 . . . . . . . . 5315 1 688 . 1 1 53 53 ILE HG13 H 1 0.989 0.01 . 2 . . . . . . . . 5315 1 689 . 1 1 53 53 ILE CD1 C 13 14.934 0.2 . 1 . . . . . . . . 5315 1 690 . 1 1 53 53 ILE HD11 H 1 0.762 0.01 . 1 . . . . . . . . 5315 1 691 . 1 1 53 53 ILE HD12 H 1 0.762 0.01 . 1 . . . . . . . . 5315 1 692 . 1 1 53 53 ILE HD13 H 1 0.762 0.01 . 1 . . . . . . . . 5315 1 693 . 1 1 53 53 ILE CG2 C 13 18.706 0.2 . 1 . . . . . . . . 5315 1 694 . 1 1 53 53 ILE HG21 H 1 0.907 0.01 . 1 . . . . . . . . 5315 1 695 . 1 1 53 53 ILE HG22 H 1 0.907 0.01 . 1 . . . . . . . . 5315 1 696 . 1 1 53 53 ILE HG23 H 1 0.907 0.01 . 1 . . . . . . . . 5315 1 697 . 1 1 53 53 ILE C C 13 174.162 0.2 . 1 . . . . . . . . 5315 1 698 . 1 1 54 54 ASN N N 15 126.219 0.2 . 1 . . . . . . . . 5315 1 699 . 1 1 54 54 ASN H H 1 8.712 0.01 . 1 . . . . . . . . 5315 1 700 . 1 1 54 54 ASN CA C 13 54.304 0.2 . 1 . . . . . . . . 5315 1 701 . 1 1 54 54 ASN HA H 1 4.933 0.01 . 1 . . . . . . . . 5315 1 702 . 1 1 54 54 ASN CB C 13 39.654 0.2 . 1 . . . . . . . . 5315 1 703 . 1 1 54 54 ASN HB2 H 1 2.768 0.01 . 1 . . . . . . . . 5315 1 704 . 1 1 54 54 ASN HB3 H 1 2.768 0.01 . 1 . . . . . . . . 5315 1 705 . 1 1 54 54 ASN ND2 N 15 111.537 0.2 . 1 . . . . . . . . 5315 1 706 . 1 1 54 54 ASN HD21 H 1 7.408 0.01 . 1 . . . . . . . . 5315 1 707 . 1 1 54 54 ASN HD22 H 1 6.805 0.01 . 1 . . . . . . . . 5315 1 708 . 1 1 54 54 ASN C C 13 173.834 0.2 . 1 . . . . . . . . 5315 1 709 . 1 1 55 55 THR N N 15 114.324 0.2 . 1 . . . . . . . . 5315 1 710 . 1 1 55 55 THR H H 1 7.838 0.01 . 1 . . . . . . . . 5315 1 711 . 1 1 55 55 THR CA C 13 60.232 0.2 . 1 . . . . . . . . 5315 1 712 . 1 1 55 55 THR HA H 1 5.279 0.01 . 1 . . . . . . . . 5315 1 713 . 1 1 55 55 THR CB C 13 70.421 0.2 . 1 . . . . . . . . 5315 1 714 . 1 1 55 55 THR HB H 1 4.502 0.01 . 1 . . . . . . . . 5315 1 715 . 1 1 55 55 THR CG2 C 13 21.889 0.2 . 1 . . . . . . . . 5315 1 716 . 1 1 55 55 THR HG21 H 1 1.219 0.01 . 1 . . . . . . . . 5315 1 717 . 1 1 55 55 THR HG22 H 1 1.219 0.01 . 1 . . . . . . . . 5315 1 718 . 1 1 55 55 THR HG23 H 1 1.219 0.01 . 1 . . . . . . . . 5315 1 719 . 1 1 55 55 THR C C 13 174.405 0.2 . 1 . . . . . . . . 5315 1 720 . 1 1 56 56 PRO CA C 13 65.005 0.2 . 1 . . . . . . . . 5315 1 721 . 1 1 56 56 PRO HA H 1 4.434 0.01 . 1 . . . . . . . . 5315 1 722 . 1 1 56 56 PRO CB C 13 32.366 0.2 . 1 . . . . . . . . 5315 1 723 . 1 1 56 56 PRO HB2 H 1 1.812 0.01 . 1 . . . . . . . . 5315 1 724 . 1 1 56 56 PRO HB3 H 1 2.477 0.01 . 1 . . . . . . . . 5315 1 725 . 1 1 56 56 PRO CG C 13 28.316 0.2 . 1 . . . . . . . . 5315 1 726 . 1 1 56 56 PRO HG2 H 1 1.957 0.01 . 2 . . . . . . . . 5315 1 727 . 1 1 56 56 PRO HG3 H 1 2.051 0.01 . 2 . . . . . . . . 5315 1 728 . 1 1 56 56 PRO CD C 13 51.328 0.2 . 1 . . . . . . . . 5315 1 729 . 1 1 56 56 PRO HD2 H 1 3.690 0.01 . 1 . . . . . . . . 5315 1 730 . 1 1 56 56 PRO HD3 H 1 4.051 0.01 . 1 . . . . . . . . 5315 1 731 . 1 1 56 56 PRO C C 13 176.564 0.2 . 1 . . . . . . . . 5315 1 732 . 1 1 57 57 ASN N N 15 112.251 0.2 . 1 . . . . . . . . 5315 1 733 . 1 1 57 57 ASN H H 1 7.865 0.01 . 1 . . . . . . . . 5315 1 734 . 1 1 57 57 ASN CA C 13 52.780 0.2 . 1 . . . . . . . . 5315 1 735 . 1 1 57 57 ASN HA H 1 4.981 0.01 . 1 . . . . . . . . 5315 1 736 . 1 1 57 57 ASN CB C 13 40.509 0.2 . 1 . . . . . . . . 5315 1 737 . 1 1 57 57 ASN HB2 H 1 2.431 0.01 . 1 . . . . . . . . 5315 1 738 . 1 1 57 57 ASN HB3 H 1 2.998 0.01 . 1 . . . . . . . . 5315 1 739 . 1 1 57 57 ASN ND2 N 15 112.539 0.2 . 1 . . . . . . . . 5315 1 740 . 1 1 57 57 ASN HD21 H 1 7.616 0.01 . 1 . . . . . . . . 5315 1 741 . 1 1 57 57 ASN HD22 H 1 6.980 0.01 . 1 . . . . . . . . 5315 1 742 . 1 1 57 57 ASN C C 13 174.031 0.2 . 1 . . . . . . . . 5315 1 743 . 1 1 58 58 GLY N N 15 108.351 0.2 . 1 . . . . . . . . 5315 1 744 . 1 1 58 58 GLY H H 1 7.461 0.01 . 1 . . . . . . . . 5315 1 745 . 1 1 58 58 GLY CA C 13 44.690 0.2 . 1 . . . . . . . . 5315 1 746 . 1 1 58 58 GLY HA2 H 1 3.904 0.01 . 2 . . . . . . . . 5315 1 747 . 1 1 58 58 GLY HA3 H 1 4.502 0.01 . 2 . . . . . . . . 5315 1 748 . 1 1 58 58 GLY C C 13 173.403 0.2 . 1 . . . . . . . . 5315 1 749 . 1 1 59 59 VAL N N 15 121.467 0.2 . 1 . . . . . . . . 5315 1 750 . 1 1 59 59 VAL H H 1 8.452 0.01 . 1 . . . . . . . . 5315 1 751 . 1 1 59 59 VAL CA C 13 62.636 0.2 . 1 . . . . . . . . 5315 1 752 . 1 1 59 59 VAL HA H 1 4.593 0.01 . 1 . . . . . . . . 5315 1 753 . 1 1 59 59 VAL CB C 13 33.573 0.2 . 1 . . . . . . . . 5315 1 754 . 1 1 59 59 VAL HB H 1 1.958 0.01 . 1 . . . . . . . . 5315 1 755 . 1 1 59 59 VAL CG2 C 13 21.957 0.2 . 1 . . . . . . . . 5315 1 756 . 1 1 59 59 VAL HG21 H 1 0.972 0.01 . 1 . . . . . . . . 5315 1 757 . 1 1 59 59 VAL HG22 H 1 0.972 0.01 . 1 . . . . . . . . 5315 1 758 . 1 1 59 59 VAL HG23 H 1 0.972 0.01 . 1 . . . . . . . . 5315 1 759 . 1 1 59 59 VAL CG1 C 13 21.595 0.2 . 1 . . . . . . . . 5315 1 760 . 1 1 59 59 VAL HG11 H 1 0.855 0.01 . 1 . . . . . . . . 5315 1 761 . 1 1 59 59 VAL HG12 H 1 0.855 0.01 . 1 . . . . . . . . 5315 1 762 . 1 1 59 59 VAL HG13 H 1 0.855 0.01 . 1 . . . . . . . . 5315 1 763 . 1 1 59 59 VAL C C 13 175.638 0.2 . 1 . . . . . . . . 5315 1 764 . 1 1 60 60 LEU N N 15 128.827 0.2 . 1 . . . . . . . . 5315 1 765 . 1 1 60 60 LEU H H 1 9.150 0.01 . 1 . . . . . . . . 5315 1 766 . 1 1 60 60 LEU CA C 13 54.030 0.2 . 1 . . . . . . . . 5315 1 767 . 1 1 60 60 LEU HA H 1 4.715 0.01 . 1 . . . . . . . . 5315 1 768 . 1 1 60 60 LEU CB C 13 44.293 0.2 . 1 . . . . . . . . 5315 1 769 . 1 1 60 60 LEU HB2 H 1 1.604 0.01 . 2 . . . . . . . . 5315 1 770 . 1 1 60 60 LEU HB3 H 1 1.399 0.01 . 2 . . . . . . . . 5315 1 771 . 1 1 60 60 LEU CG C 13 27.201 0.2 . 1 . . . . . . . . 5315 1 772 . 1 1 60 60 LEU HG H 1 1.622 0.01 . 1 . . . . . . . . 5315 1 773 . 1 1 60 60 LEU CD1 C 13 26.096 0.2 . 1 . . . . . . . . 5315 1 774 . 1 1 60 60 LEU HD11 H 1 0.752 0.01 . 1 . . . . . . . . 5315 1 775 . 1 1 60 60 LEU HD12 H 1 0.752 0.01 . 1 . . . . . . . . 5315 1 776 . 1 1 60 60 LEU HD13 H 1 0.752 0.01 . 1 . . . . . . . . 5315 1 777 . 1 1 60 60 LEU CD2 C 13 24.321 0.2 . 1 . . . . . . . . 5315 1 778 . 1 1 60 60 LEU HD21 H 1 0.757 0.01 . 1 . . . . . . . . 5315 1 779 . 1 1 60 60 LEU HD22 H 1 0.757 0.01 . 1 . . . . . . . . 5315 1 780 . 1 1 60 60 LEU HD23 H 1 0.757 0.01 . 1 . . . . . . . . 5315 1 781 . 1 1 60 60 LEU C C 13 175.280 0.2 . 1 . . . . . . . . 5315 1 782 . 1 1 61 61 VAL N N 15 120.806 0.2 . 1 . . . . . . . . 5315 1 783 . 1 1 61 61 VAL H H 1 8.263 0.01 . 1 . . . . . . . . 5315 1 784 . 1 1 61 61 VAL CA C 13 60.359 0.2 . 1 . . . . . . . . 5315 1 785 . 1 1 61 61 VAL HA H 1 5.098 0.01 . 1 . . . . . . . . 5315 1 786 . 1 1 61 61 VAL CB C 13 35.187 0.2 . 1 . . . . . . . . 5315 1 787 . 1 1 61 61 VAL HB H 1 1.990 0.01 . 1 . . . . . . . . 5315 1 788 . 1 1 61 61 VAL CG2 C 13 20.943 0.2 . 1 . . . . . . . . 5315 1 789 . 1 1 61 61 VAL HG21 H 1 0.921 0.01 . 1 . . . . . . . . 5315 1 790 . 1 1 61 61 VAL HG22 H 1 0.921 0.01 . 1 . . . . . . . . 5315 1 791 . 1 1 61 61 VAL HG23 H 1 0.921 0.01 . 1 . . . . . . . . 5315 1 792 . 1 1 61 61 VAL CG1 C 13 21.600 0.2 . 1 . . . . . . . . 5315 1 793 . 1 1 61 61 VAL HG11 H 1 0.921 0.01 . 1 . . . . . . . . 5315 1 794 . 1 1 61 61 VAL HG12 H 1 0.921 0.01 . 1 . . . . . . . . 5315 1 795 . 1 1 61 61 VAL HG13 H 1 0.921 0.01 . 1 . . . . . . . . 5315 1 796 . 1 1 61 61 VAL C C 13 175.630 0.2 . 1 . . . . . . . . 5315 1 797 . 1 1 62 62 ALA N N 15 125.287 0.2 . 1 . . . . . . . . 5315 1 798 . 1 1 62 62 ALA H H 1 8.413 0.01 . 1 . . . . . . . . 5315 1 799 . 1 1 62 62 ALA CA C 13 51.609 0.2 . 1 . . . . . . . . 5315 1 800 . 1 1 62 62 ALA HA H 1 4.738 0.01 . 1 . . . . . . . . 5315 1 801 . 1 1 62 62 ALA CB C 13 24.150 0.2 . 1 . . . . . . . . 5315 1 802 . 1 1 62 62 ALA HB1 H 1 1.296 0.01 . 1 . . . . . . . . 5315 1 803 . 1 1 62 62 ALA HB2 H 1 1.296 0.01 . 1 . . . . . . . . 5315 1 804 . 1 1 62 62 ALA HB3 H 1 1.296 0.01 . 1 . . . . . . . . 5315 1 805 . 1 1 62 62 ALA C C 13 174.719 0.2 . 1 . . . . . . . . 5315 1 806 . 1 1 63 63 SER N N 15 113.283 0.2 . 1 . . . . . . . . 5315 1 807 . 1 1 63 63 SER H H 1 7.986 0.01 . 1 . . . . . . . . 5315 1 808 . 1 1 63 63 SER CA C 13 57.408 0.2 . 1 . . . . . . . . 5315 1 809 . 1 1 63 63 SER HA H 1 5.656 0.01 . 1 . . . . . . . . 5315 1 810 . 1 1 63 63 SER CB C 13 66.357 0.2 . 1 . . . . . . . . 5315 1 811 . 1 1 63 63 SER HB2 H 1 3.646 0.01 . 1 . . . . . . . . 5315 1 812 . 1 1 63 63 SER HB3 H 1 3.646 0.01 . 1 . . . . . . . . 5315 1 813 . 1 1 63 63 SER C C 13 173.749 0.2 . 1 . . . . . . . . 5315 1 814 . 1 1 64 64 GLY N N 15 112.751 0.2 . 1 . . . . . . . . 5315 1 815 . 1 1 64 64 GLY H H 1 9.431 0.01 . 1 . . . . . . . . 5315 1 816 . 1 1 64 64 GLY CA C 13 44.528 0.2 . 1 . . . . . . . . 5315 1 817 . 1 1 64 64 GLY HA2 H 1 3.832 0.01 . 1 . . . . . . . . 5315 1 818 . 1 1 64 64 GLY HA3 H 1 4.703 0.01 . 1 . . . . . . . . 5315 1 819 . 1 1 64 64 GLY C C 13 171.615 0.2 . 1 . . . . . . . . 5315 1 820 . 1 1 65 65 LYS N N 15 121.847 0.2 . 1 . . . . . . . . 5315 1 821 . 1 1 65 65 LYS H H 1 8.458 0.01 . 1 . . . . . . . . 5315 1 822 . 1 1 65 65 LYS CA C 13 55.454 0.2 . 1 . . . . . . . . 5315 1 823 . 1 1 65 65 LYS HA H 1 5.576 0.01 . 1 . . . . . . . . 5315 1 824 . 1 1 65 65 LYS CB C 13 36.288 0.2 . 1 . . . . . . . . 5315 1 825 . 1 1 65 65 LYS HB2 H 1 1.788 0.01 . 1 . . . . . . . . 5315 1 826 . 1 1 65 65 LYS HB3 H 1 1.788 0.01 . 1 . . . . . . . . 5315 1 827 . 1 1 65 65 LYS CG C 13 25.018 0.2 . 1 . . . . . . . . 5315 1 828 . 1 1 65 65 LYS HG2 H 1 1.324 0.01 . 1 . . . . . . . . 5315 1 829 . 1 1 65 65 LYS HG3 H 1 1.324 0.01 . 1 . . . . . . . . 5315 1 830 . 1 1 65 65 LYS CD C 13 29.932 0.2 . 1 . . . . . . . . 5315 1 831 . 1 1 65 65 LYS HD2 H 1 1.573 0.01 . 1 . . . . . . . . 5315 1 832 . 1 1 65 65 LYS HD3 H 1 1.573 0.01 . 1 . . . . . . . . 5315 1 833 . 1 1 65 65 LYS CE C 13 42.418 0.2 . 1 . . . . . . . . 5315 1 834 . 1 1 65 65 LYS HE2 H 1 2.828 0.01 . 1 . . . . . . . . 5315 1 835 . 1 1 65 65 LYS HE3 H 1 2.828 0.01 . 1 . . . . . . . . 5315 1 836 . 1 1 65 65 LYS C C 13 175.299 0.2 . 1 . . . . . . . . 5315 1 837 . 1 1 66 66 HIS N N 15 122.627 0.2 . 1 . . . . . . . . 5315 1 838 . 1 1 66 66 HIS H H 1 8.607 0.01 . 1 . . . . . . . . 5315 1 839 . 1 1 66 66 HIS CA C 13 59.657 0.2 . 1 . . . . . . . . 5315 1 840 . 1 1 66 66 HIS HA H 1 4.374 0.01 . 1 . . . . . . . . 5315 1 841 . 1 1 66 66 HIS CB C 13 33.191 0.2 . 1 . . . . . . . . 5315 1 842 . 1 1 66 66 HIS HB2 H 1 3.212 0.01 . 1 . . . . . . . . 5315 1 843 . 1 1 66 66 HIS HB3 H 1 3.073 0.01 . 1 . . . . . . . . 5315 1 844 . 1 1 66 66 HIS CD2 C 13 118.854 0.2 . 1 . . . . . . . . 5315 1 845 . 1 1 66 66 HIS HD2 H 1 7.317 0.01 . 1 . . . . . . . . 5315 1 846 . 1 1 66 66 HIS CE1 C 13 137.570 0.2 . 1 . . . . . . . . 5315 1 847 . 1 1 66 66 HIS HE1 H 1 7.858 0.01 . 1 . . . . . . . . 5315 1 848 . 1 1 66 66 HIS C C 13 173.667 0.2 . 1 . . . . . . . . 5315 1 849 . 1 1 67 67 GLU N N 15 124.877 0.2 . 1 . . . . . . . . 5315 1 850 . 1 1 67 67 GLU H H 1 7.966 0.01 . 1 . . . . . . . . 5315 1 851 . 1 1 67 67 GLU CA C 13 60.240 0.2 . 1 . . . . . . . . 5315 1 852 . 1 1 67 67 GLU HA H 1 4.305 0.01 . 1 . . . . . . . . 5315 1 853 . 1 1 67 67 GLU CB C 13 30.039 0.2 . 1 . . . . . . . . 5315 1 854 . 1 1 67 67 GLU HB2 H 1 2.028 0.01 . 1 . . . . . . . . 5315 1 855 . 1 1 67 67 GLU HB3 H 1 2.028 0.01 . 1 . . . . . . . . 5315 1 856 . 1 1 67 67 GLU CG C 13 36.650 0.2 . 1 . . . . . . . . 5315 1 857 . 1 1 67 67 GLU HG2 H 1 2.324 0.01 . 1 . . . . . . . . 5315 1 858 . 1 1 67 67 GLU HG3 H 1 2.324 0.01 . 1 . . . . . . . . 5315 1 859 . 1 1 67 67 GLU C C 13 176.244 0.2 . 1 . . . . . . . . 5315 1 860 . 1 1 68 68 ASP N N 15 124.722 0.2 . 1 . . . . . . . . 5315 1 861 . 1 1 68 68 ASP H H 1 11.740 0.01 . 1 . . . . . . . . 5315 1 862 . 1 1 68 68 ASP CA C 13 53.464 0.2 . 1 . . . . . . . . 5315 1 863 . 1 1 68 68 ASP HA H 1 5.079 0.01 . 1 . . . . . . . . 5315 1 864 . 1 1 68 68 ASP CB C 13 43.963 0.2 . 1 . . . . . . . . 5315 1 865 . 1 1 68 68 ASP HB2 H 1 2.866 0.01 . 1 . . . . . . . . 5315 1 866 . 1 1 68 68 ASP HB3 H 1 3.146 0.01 . 1 . . . . . . . . 5315 1 867 . 1 1 68 68 ASP C C 13 176.246 0.2 . 1 . . . . . . . . 5315 1 868 . 1 1 69 69 MET N N 15 127.581 0.2 . 1 . . . . . . . . 5315 1 869 . 1 1 69 69 MET H H 1 8.353 0.01 . 1 . . . . . . . . 5315 1 870 . 1 1 69 69 MET CA C 13 60.305 0.2 . 1 . . . . . . . . 5315 1 871 . 1 1 69 69 MET HA H 1 3.140 0.01 . 1 . . . . . . . . 5315 1 872 . 1 1 69 69 MET CB C 13 32.629 0.2 . 1 . . . . . . . . 5315 1 873 . 1 1 69 69 MET HB2 H 1 0.303 0.01 . 1 . . . . . . . . 5315 1 874 . 1 1 69 69 MET HB3 H 1 1.068 0.01 . 1 . . . . . . . . 5315 1 875 . 1 1 69 69 MET CG C 13 30.596 0.2 . 1 . . . . . . . . 5315 1 876 . 1 1 69 69 MET HG2 H 1 1.508 0.01 . 2 . . . . . . . . 5315 1 877 . 1 1 69 69 MET HG3 H 1 1.624 0.01 . 2 . . . . . . . . 5315 1 878 . 1 1 69 69 MET CE C 13 17.179 0.2 . 1 . . . . . . . . 5315 1 879 . 1 1 69 69 MET HE1 H 1 1.448 0.01 . 1 . . . . . . . . 5315 1 880 . 1 1 69 69 MET HE2 H 1 1.448 0.01 . 1 . . . . . . . . 5315 1 881 . 1 1 69 69 MET HE3 H 1 1.448 0.01 . 1 . . . . . . . . 5315 1 882 . 1 1 69 69 MET C C 13 177.330 0.2 . 1 . . . . . . . . 5315 1 883 . 1 1 70 70 TYR N N 15 116.771 0.2 . 1 . . . . . . . . 5315 1 884 . 1 1 70 70 TYR H H 1 8.110 0.01 . 1 . . . . . . . . 5315 1 885 . 1 1 70 70 TYR CA C 13 61.880 0.2 . 1 . . . . . . . . 5315 1 886 . 1 1 70 70 TYR HA H 1 3.820 0.01 . 1 . . . . . . . . 5315 1 887 . 1 1 70 70 TYR CB C 13 36.250 0.2 . 1 . . . . . . . . 5315 1 888 . 1 1 70 70 TYR HB2 H 1 2.929 0.01 . 1 . . . . . . . . 5315 1 889 . 1 1 70 70 TYR HB3 H 1 2.604 0.01 . 1 . . . . . . . . 5315 1 890 . 1 1 70 70 TYR CD1 C 13 131.867 0.2 . 1 . . . . . . . . 5315 1 891 . 1 1 70 70 TYR HD1 H 1 6.598 0.01 . 1 . . . . . . . . 5315 1 892 . 1 1 70 70 TYR CE1 C 13 117.984 0.2 . 1 . . . . . . . . 5315 1 893 . 1 1 70 70 TYR HE1 H 1 6.426 0.01 . 1 . . . . . . . . 5315 1 894 . 1 1 70 70 TYR CE2 C 13 117.984 0.2 . 1 . . . . . . . . 5315 1 895 . 1 1 70 70 TYR HE2 H 1 6.426 0.01 . 1 . . . . . . . . 5315 1 896 . 1 1 70 70 TYR CD2 C 13 131.867 0.2 . 1 . . . . . . . . 5315 1 897 . 1 1 70 70 TYR HD2 H 1 6.598 0.01 . 1 . . . . . . . . 5315 1 898 . 1 1 70 70 TYR C C 13 178.650 0.2 . 1 . . . . . . . . 5315 1 899 . 1 1 71 71 THR N N 15 119.213 0.2 . 1 . . . . . . . . 5315 1 900 . 1 1 71 71 THR H H 1 8.126 0.01 . 1 . . . . . . . . 5315 1 901 . 1 1 71 71 THR CA C 13 67.329 0.2 . 1 . . . . . . . . 5315 1 902 . 1 1 71 71 THR HA H 1 3.792 0.01 . 1 . . . . . . . . 5315 1 903 . 1 1 71 71 THR CB C 13 68.072 0.2 . 1 . . . . . . . . 5315 1 904 . 1 1 71 71 THR HB H 1 3.867 0.01 . 1 . . . . . . . . 5315 1 905 . 1 1 71 71 THR CG2 C 13 20.914 0.2 . 1 . . . . . . . . 5315 1 906 . 1 1 71 71 THR HG21 H 1 0.518 0.01 . 1 . . . . . . . . 5315 1 907 . 1 1 71 71 THR HG22 H 1 0.518 0.01 . 1 . . . . . . . . 5315 1 908 . 1 1 71 71 THR HG23 H 1 0.518 0.01 . 1 . . . . . . . . 5315 1 909 . 1 1 71 71 THR C C 13 176.019 0.2 . 1 . . . . . . . . 5315 1 910 . 1 1 72 72 ALA N N 15 125.534 0.2 . 1 . . . . . . . . 5315 1 911 . 1 1 72 72 ALA H H 1 8.263 0.01 . 1 . . . . . . . . 5315 1 912 . 1 1 72 72 ALA CA C 13 56.659 0.2 . 1 . . . . . . . . 5315 1 913 . 1 1 72 72 ALA HA H 1 3.712 0.01 . 1 . . . . . . . . 5315 1 914 . 1 1 72 72 ALA CB C 13 17.664 0.2 . 1 . . . . . . . . 5315 1 915 . 1 1 72 72 ALA HB1 H 1 1.468 0.01 . 1 . . . . . . . . 5315 1 916 . 1 1 72 72 ALA HB2 H 1 1.468 0.01 . 1 . . . . . . . . 5315 1 917 . 1 1 72 72 ALA HB3 H 1 1.468 0.01 . 1 . . . . . . . . 5315 1 918 . 1 1 72 72 ALA C C 13 179.373 0.2 . 1 . . . . . . . . 5315 1 919 . 1 1 73 73 ILE N N 15 116.165 0.2 . 1 . . . . . . . . 5315 1 920 . 1 1 73 73 ILE H H 1 7.625 0.01 . 1 . . . . . . . . 5315 1 921 . 1 1 73 73 ILE CA C 13 65.502 0.2 . 1 . . . . . . . . 5315 1 922 . 1 1 73 73 ILE HA H 1 3.382 0.01 . 1 . . . . . . . . 5315 1 923 . 1 1 73 73 ILE CB C 13 38.315 0.2 . 1 . . . . . . . . 5315 1 924 . 1 1 73 73 ILE HB H 1 1.993 0.01 . 1 . . . . . . . . 5315 1 925 . 1 1 73 73 ILE CG1 C 13 29.990 0.2 . 1 . . . . . . . . 5315 1 926 . 1 1 73 73 ILE HG12 H 1 0.707 0.01 . 2 . . . . . . . . 5315 1 927 . 1 1 73 73 ILE HG13 H 1 1.828 0.01 . 2 . . . . . . . . 5315 1 928 . 1 1 73 73 ILE CD1 C 13 13.920 0.2 . 1 . . . . . . . . 5315 1 929 . 1 1 73 73 ILE HD11 H 1 0.710 0.01 . 1 . . . . . . . . 5315 1 930 . 1 1 73 73 ILE HD12 H 1 0.710 0.01 . 1 . . . . . . . . 5315 1 931 . 1 1 73 73 ILE HD13 H 1 0.710 0.01 . 1 . . . . . . . . 5315 1 932 . 1 1 73 73 ILE CG2 C 13 18.263 0.2 . 1 . . . . . . . . 5315 1 933 . 1 1 73 73 ILE HG21 H 1 0.885 0.01 . 1 . . . . . . . . 5315 1 934 . 1 1 73 73 ILE HG22 H 1 0.885 0.01 . 1 . . . . . . . . 5315 1 935 . 1 1 73 73 ILE HG23 H 1 0.885 0.01 . 1 . . . . . . . . 5315 1 936 . 1 1 73 73 ILE C C 13 176.990 0.2 . 1 . . . . . . . . 5315 1 937 . 1 1 74 74 ASN N N 15 120.539 0.2 . 1 . . . . . . . . 5315 1 938 . 1 1 74 74 ASN H H 1 8.471 0.01 . 1 . . . . . . . . 5315 1 939 . 1 1 74 74 ASN CA C 13 56.718 0.2 . 1 . . . . . . . . 5315 1 940 . 1 1 74 74 ASN HA H 1 4.269 0.01 . 1 . . . . . . . . 5315 1 941 . 1 1 74 74 ASN CB C 13 37.969 0.2 . 1 . . . . . . . . 5315 1 942 . 1 1 74 74 ASN HB2 H 1 2.894 0.01 . 2 . . . . . . . . 5315 1 943 . 1 1 74 74 ASN HB3 H 1 2.992 0.01 . 2 . . . . . . . . 5315 1 944 . 1 1 74 74 ASN C C 13 178.236 0.2 . 1 . . . . . . . . 5315 1 945 . 1 1 75 75 GLU N N 15 120.457 0.2 . 1 . . . . . . . . 5315 1 946 . 1 1 75 75 GLU H H 1 8.680 0.01 . 1 . . . . . . . . 5315 1 947 . 1 1 75 75 GLU CA C 13 59.464 0.2 . 1 . . . . . . . . 5315 1 948 . 1 1 75 75 GLU HA H 1 4.156 0.01 . 1 . . . . . . . . 5315 1 949 . 1 1 75 75 GLU CB C 13 29.776 0.2 . 1 . . . . . . . . 5315 1 950 . 1 1 75 75 GLU HB2 H 1 2.214 0.01 . 1 . . . . . . . . 5315 1 951 . 1 1 75 75 GLU HB3 H 1 2.214 0.01 . 1 . . . . . . . . 5315 1 952 . 1 1 75 75 GLU CG C 13 36.877 0.2 . 1 . . . . . . . . 5315 1 953 . 1 1 75 75 GLU HG2 H 1 2.440 0.01 . 1 . . . . . . . . 5315 1 954 . 1 1 75 75 GLU HG3 H 1 2.440 0.01 . 1 . . . . . . . . 5315 1 955 . 1 1 75 75 GLU C C 13 178.934 0.2 . 1 . . . . . . . . 5315 1 956 . 1 1 76 76 LEU N N 15 121.030 0.2 . 1 . . . . . . . . 5315 1 957 . 1 1 76 76 LEU H H 1 7.879 0.01 . 1 . . . . . . . . 5315 1 958 . 1 1 76 76 LEU CA C 13 58.880 0.2 . 1 . . . . . . . . 5315 1 959 . 1 1 76 76 LEU HA H 1 3.854 0.01 . 1 . . . . . . . . 5315 1 960 . 1 1 76 76 LEU CB C 13 41.055 0.2 . 1 . . . . . . . . 5315 1 961 . 1 1 76 76 LEU HB2 H 1 1.616 0.01 . 1 . . . . . . . . 5315 1 962 . 1 1 76 76 LEU HB3 H 1 2.365 0.01 . 1 . . . . . . . . 5315 1 963 . 1 1 76 76 LEU CG C 13 27.711 0.2 . 1 . . . . . . . . 5315 1 964 . 1 1 76 76 LEU HG H 1 1.309 0.01 . 1 . . . . . . . . 5315 1 965 . 1 1 76 76 LEU CD1 C 13 24.031 0.2 . 1 . . . . . . . . 5315 1 966 . 1 1 76 76 LEU HD11 H 1 0.865 0.01 . 1 . . . . . . . . 5315 1 967 . 1 1 76 76 LEU HD12 H 1 0.865 0.01 . 1 . . . . . . . . 5315 1 968 . 1 1 76 76 LEU HD13 H 1 0.865 0.01 . 1 . . . . . . . . 5315 1 969 . 1 1 76 76 LEU CD2 C 13 26.012 0.2 . 1 . . . . . . . . 5315 1 970 . 1 1 76 76 LEU HD21 H 1 0.744 0.01 . 1 . . . . . . . . 5315 1 971 . 1 1 76 76 LEU HD22 H 1 0.744 0.01 . 1 . . . . . . . . 5315 1 972 . 1 1 76 76 LEU HD23 H 1 0.744 0.01 . 1 . . . . . . . . 5315 1 973 . 1 1 76 76 LEU C C 13 177.895 0.2 . 1 . . . . . . . . 5315 1 974 . 1 1 77 77 ILE N N 15 118.047 0.2 . 1 . . . . . . . . 5315 1 975 . 1 1 77 77 ILE H H 1 8.198 0.01 . 1 . . . . . . . . 5315 1 976 . 1 1 77 77 ILE CA C 13 64.440 0.2 . 1 . . . . . . . . 5315 1 977 . 1 1 77 77 ILE HA H 1 3.527 0.01 . 1 . . . . . . . . 5315 1 978 . 1 1 77 77 ILE CB C 13 36.169 0.2 . 1 . . . . . . . . 5315 1 979 . 1 1 77 77 ILE HB H 1 2.065 0.01 . 1 . . . . . . . . 5315 1 980 . 1 1 77 77 ILE CG1 C 13 29.026 0.2 . 1 . . . . . . . . 5315 1 981 . 1 1 77 77 ILE HG12 H 1 1.462 0.01 . 1 . . . . . . . . 5315 1 982 . 1 1 77 77 ILE HG13 H 1 1.462 0.01 . 1 . . . . . . . . 5315 1 983 . 1 1 77 77 ILE CD1 C 13 11.470 0.2 . 1 . . . . . . . . 5315 1 984 . 1 1 77 77 ILE HD11 H 1 0.647 0.01 . 1 . . . . . . . . 5315 1 985 . 1 1 77 77 ILE HD12 H 1 0.647 0.01 . 1 . . . . . . . . 5315 1 986 . 1 1 77 77 ILE HD13 H 1 0.647 0.01 . 1 . . . . . . . . 5315 1 987 . 1 1 77 77 ILE CG2 C 13 18.389 0.2 . 1 . . . . . . . . 5315 1 988 . 1 1 77 77 ILE HG21 H 1 0.899 0.01 . 1 . . . . . . . . 5315 1 989 . 1 1 77 77 ILE HG22 H 1 0.899 0.01 . 1 . . . . . . . . 5315 1 990 . 1 1 77 77 ILE HG23 H 1 0.899 0.01 . 1 . . . . . . . . 5315 1 991 . 1 1 77 77 ILE C C 13 177.724 0.2 . 1 . . . . . . . . 5315 1 992 . 1 1 78 78 ASN N N 15 119.344 0.2 . 1 . . . . . . . . 5315 1 993 . 1 1 78 78 ASN H H 1 8.363 0.01 . 1 . . . . . . . . 5315 1 994 . 1 1 78 78 ASN CA C 13 56.590 0.2 . 1 . . . . . . . . 5315 1 995 . 1 1 78 78 ASN HA H 1 4.504 0.01 . 1 . . . . . . . . 5315 1 996 . 1 1 78 78 ASN CB C 13 38.383 0.2 . 1 . . . . . . . . 5315 1 997 . 1 1 78 78 ASN HB2 H 1 2.861 0.01 . 2 . . . . . . . . 5315 1 998 . 1 1 78 78 ASN HB3 H 1 3.033 0.01 . 2 . . . . . . . . 5315 1 999 . 1 1 78 78 ASN ND2 N 15 111.390 0.2 . 1 . . . . . . . . 5315 1 1000 . 1 1 78 78 ASN HD21 H 1 7.585 0.01 . 1 . . . . . . . . 5315 1 1001 . 1 1 78 78 ASN HD22 H 1 6.824 0.01 . 1 . . . . . . . . 5315 1 1002 . 1 1 78 78 ASN C C 13 178.633 0.2 . 1 . . . . . . . . 5315 1 1003 . 1 1 79 79 LYS N N 15 120.431 0.2 . 1 . . . . . . . . 5315 1 1004 . 1 1 79 79 LYS H H 1 8.133 0.01 . 1 . . . . . . . . 5315 1 1005 . 1 1 79 79 LYS CA C 13 60.339 0.2 . 1 . . . . . . . . 5315 1 1006 . 1 1 79 79 LYS HA H 1 4.047 0.01 . 1 . . . . . . . . 5315 1 1007 . 1 1 79 79 LYS CB C 13 33.191 0.2 . 1 . . . . . . . . 5315 1 1008 . 1 1 79 79 LYS HB2 H 1 2.094 0.01 . 1 . . . . . . . . 5315 1 1009 . 1 1 79 79 LYS HB3 H 1 1.938 0.01 . 1 . . . . . . . . 5315 1 1010 . 1 1 79 79 LYS CG C 13 26.611 0.2 . 1 . . . . . . . . 5315 1 1011 . 1 1 79 79 LYS HG2 H 1 1.833 0.01 . 2 . . . . . . . . 5315 1 1012 . 1 1 79 79 LYS HG3 H 1 1.569 0.01 . 2 . . . . . . . . 5315 1 1013 . 1 1 79 79 LYS CD C 13 30.104 0.2 . 1 . . . . . . . . 5315 1 1014 . 1 1 79 79 LYS CE C 13 42.958 0.2 . 1 . . . . . . . . 5315 1 1015 . 1 1 79 79 LYS HE2 H 1 3.154 0.01 . 1 . . . . . . . . 5315 1 1016 . 1 1 79 79 LYS HE3 H 1 3.154 0.01 . 1 . . . . . . . . 5315 1 1017 . 1 1 79 79 LYS C C 13 179.984 0.2 . 1 . . . . . . . . 5315 1 1018 . 1 1 80 80 LEU N N 15 120.738 0.2 . 1 . . . . . . . . 5315 1 1019 . 1 1 80 80 LEU H H 1 8.343 0.01 . 1 . . . . . . . . 5315 1 1020 . 1 1 80 80 LEU CA C 13 58.359 0.2 . 1 . . . . . . . . 5315 1 1021 . 1 1 80 80 LEU HA H 1 3.884 0.01 . 1 . . . . . . . . 5315 1 1022 . 1 1 80 80 LEU CB C 13 42.394 0.2 . 1 . . . . . . . . 5315 1 1023 . 1 1 80 80 LEU HB2 H 1 2.025 0.01 . 1 . . . . . . . . 5315 1 1024 . 1 1 80 80 LEU HB3 H 1 1.189 0.01 . 1 . . . . . . . . 5315 1 1025 . 1 1 80 80 LEU CG C 13 26.167 0.2 . 1 . . . . . . . . 5315 1 1026 . 1 1 80 80 LEU HG H 1 1.760 0.01 . 1 . . . . . . . . 5315 1 1027 . 1 1 80 80 LEU CD1 C 13 25.682 0.2 . 1 . . . . . . . . 5315 1 1028 . 1 1 80 80 LEU HD11 H 1 0.632 0.01 . 1 . . . . . . . . 5315 1 1029 . 1 1 80 80 LEU HD12 H 1 0.632 0.01 . 1 . . . . . . . . 5315 1 1030 . 1 1 80 80 LEU HD13 H 1 0.632 0.01 . 1 . . . . . . . . 5315 1 1031 . 1 1 80 80 LEU CD2 C 13 23.829 0.2 . 1 . . . . . . . . 5315 1 1032 . 1 1 80 80 LEU HD21 H 1 0.621 0.01 . 1 . . . . . . . . 5315 1 1033 . 1 1 80 80 LEU HD22 H 1 0.621 0.01 . 1 . . . . . . . . 5315 1 1034 . 1 1 80 80 LEU HD23 H 1 0.621 0.01 . 1 . . . . . . . . 5315 1 1035 . 1 1 80 80 LEU C C 13 178.452 0.2 . 1 . . . . . . . . 5315 1 1036 . 1 1 81 81 GLU N N 15 119.485 0.2 . 1 . . . . . . . . 5315 1 1037 . 1 1 81 81 GLU H H 1 8.633 0.01 . 1 . . . . . . . . 5315 1 1038 . 1 1 81 81 GLU CA C 13 60.641 0.2 . 1 . . . . . . . . 5315 1 1039 . 1 1 81 81 GLU HA H 1 3.584 0.01 . 1 . . . . . . . . 5315 1 1040 . 1 1 81 81 GLU CB C 13 29.852 0.2 . 1 . . . . . . . . 5315 1 1041 . 1 1 81 81 GLU HB2 H 1 2.225 0.01 . 2 . . . . . . . . 5315 1 1042 . 1 1 81 81 GLU HB3 H 1 2.119 0.01 . 2 . . . . . . . . 5315 1 1043 . 1 1 81 81 GLU CG C 13 36.951 0.2 . 1 . . . . . . . . 5315 1 1044 . 1 1 81 81 GLU HG2 H 1 2.148 0.01 . 2 . . . . . . . . 5315 1 1045 . 1 1 81 81 GLU HG3 H 1 2.323 0.01 . 2 . . . . . . . . 5315 1 1046 . 1 1 81 81 GLU C C 13 178.426 0.2 . 1 . . . . . . . . 5315 1 1047 . 1 1 82 82 ARG N N 15 117.614 0.2 . 1 . . . . . . . . 5315 1 1048 . 1 1 82 82 ARG H H 1 7.725 0.01 . 1 . . . . . . . . 5315 1 1049 . 1 1 82 82 ARG CA C 13 59.645 0.2 . 1 . . . . . . . . 5315 1 1050 . 1 1 82 82 ARG HA H 1 4.070 0.01 . 1 . . . . . . . . 5315 1 1051 . 1 1 82 82 ARG CB C 13 30.537 0.2 . 1 . . . . . . . . 5315 1 1052 . 1 1 82 82 ARG HB2 H 1 1.992 0.01 . 1 . . . . . . . . 5315 1 1053 . 1 1 82 82 ARG HB3 H 1 1.992 0.01 . 1 . . . . . . . . 5315 1 1054 . 1 1 82 82 ARG CG C 13 28.013 0.2 . 1 . . . . . . . . 5315 1 1055 . 1 1 82 82 ARG HG2 H 1 1.892 0.01 . 2 . . . . . . . . 5315 1 1056 . 1 1 82 82 ARG HG3 H 1 1.727 0.01 . 2 . . . . . . . . 5315 1 1057 . 1 1 82 82 ARG CD C 13 44.023 0.2 . 1 . . . . . . . . 5315 1 1058 . 1 1 82 82 ARG HD2 H 1 3.270 0.01 . 1 . . . . . . . . 5315 1 1059 . 1 1 82 82 ARG HD3 H 1 3.270 0.01 . 1 . . . . . . . . 5315 1 1060 . 1 1 82 82 ARG C C 13 179.688 0.2 . 1 . . . . . . . . 5315 1 1061 . 1 1 83 83 GLN N N 15 118.399 0.2 . 1 . . . . . . . . 5315 1 1062 . 1 1 83 83 GLN H H 1 7.909 0.01 . 1 . . . . . . . . 5315 1 1063 . 1 1 83 83 GLN CA C 13 59.099 0.2 . 1 . . . . . . . . 5315 1 1064 . 1 1 83 83 GLN HA H 1 4.073 0.01 . 1 . . . . . . . . 5315 1 1065 . 1 1 83 83 GLN CB C 13 29.800 0.2 . 1 . . . . . . . . 5315 1 1066 . 1 1 83 83 GLN HB2 H 1 2.140 0.01 . 1 . . . . . . . . 5315 1 1067 . 1 1 83 83 GLN HB3 H 1 2.140 0.01 . 1 . . . . . . . . 5315 1 1068 . 1 1 83 83 GLN CG C 13 34.818 0.2 . 1 . . . . . . . . 5315 1 1069 . 1 1 83 83 GLN HG2 H 1 2.435 0.01 . 2 . . . . . . . . 5315 1 1070 . 1 1 83 83 GLN HG3 H 1 2.582 0.01 . 2 . . . . . . . . 5315 1 1071 . 1 1 83 83 GLN NE2 N 15 109.047 0.2 . 1 . . . . . . . . 5315 1 1072 . 1 1 83 83 GLN HE21 H 1 7.045 0.01 . 1 . . . . . . . . 5315 1 1073 . 1 1 83 83 GLN HE22 H 1 7.045 0.01 . 1 . . . . . . . . 5315 1 1074 . 1 1 83 83 GLN C C 13 178.954 0.2 . 1 . . . . . . . . 5315 1 1075 . 1 1 84 84 LEU N N 15 121.230 0.2 . 1 . . . . . . . . 5315 1 1076 . 1 1 84 84 LEU H H 1 8.425 0.01 . 1 . . . . . . . . 5315 1 1077 . 1 1 84 84 LEU CA C 13 58.069 0.2 . 1 . . . . . . . . 5315 1 1078 . 1 1 84 84 LEU HA H 1 3.810 0.01 . 1 . . . . . . . . 5315 1 1079 . 1 1 84 84 LEU CB C 13 41.043 0.2 . 1 . . . . . . . . 5315 1 1080 . 1 1 84 84 LEU HB2 H 1 1.380 0.01 . 1 . . . . . . . . 5315 1 1081 . 1 1 84 84 LEU HB3 H 1 1.380 0.01 . 1 . . . . . . . . 5315 1 1082 . 1 1 84 84 LEU CG C 13 27.063 0.2 . 1 . . . . . . . . 5315 1 1083 . 1 1 84 84 LEU HG H 1 1.522 0.01 . 1 . . . . . . . . 5315 1 1084 . 1 1 84 84 LEU CD1 C 13 25.724 0.2 . 1 . . . . . . . . 5315 1 1085 . 1 1 84 84 LEU HD11 H 1 0.664 0.01 . 1 . . . . . . . . 5315 1 1086 . 1 1 84 84 LEU HD12 H 1 0.664 0.01 . 1 . . . . . . . . 5315 1 1087 . 1 1 84 84 LEU HD13 H 1 0.664 0.01 . 1 . . . . . . . . 5315 1 1088 . 1 1 84 84 LEU CD2 C 13 24.483 0.2 . 1 . . . . . . . . 5315 1 1089 . 1 1 84 84 LEU HD21 H 1 0.722 0.01 . 1 . . . . . . . . 5315 1 1090 . 1 1 84 84 LEU HD22 H 1 0.722 0.01 . 1 . . . . . . . . 5315 1 1091 . 1 1 84 84 LEU HD23 H 1 0.722 0.01 . 1 . . . . . . . . 5315 1 1092 . 1 1 84 84 LEU C C 13 178.918 0.2 . 1 . . . . . . . . 5315 1 1093 . 1 1 85 85 ASN N N 15 117.367 0.2 . 1 . . . . . . . . 5315 1 1094 . 1 1 85 85 ASN H H 1 7.966 0.01 . 1 . . . . . . . . 5315 1 1095 . 1 1 85 85 ASN CA C 13 56.125 0.2 . 1 . . . . . . . . 5315 1 1096 . 1 1 85 85 ASN HA H 1 4.408 0.01 . 1 . . . . . . . . 5315 1 1097 . 1 1 85 85 ASN CB C 13 39.004 0.2 . 1 . . . . . . . . 5315 1 1098 . 1 1 85 85 ASN HB2 H 1 2.784 0.01 . 1 . . . . . . . . 5315 1 1099 . 1 1 85 85 ASN HB3 H 1 2.784 0.01 . 1 . . . . . . . . 5315 1 1100 . 1 1 85 85 ASN ND2 N 15 112.422 0.2 . 1 . . . . . . . . 5315 1 1101 . 1 1 85 85 ASN HD21 H 1 7.490 0.01 . 1 . . . . . . . . 5315 1 1102 . 1 1 85 85 ASN HD22 H 1 6.962 0.01 . 1 . . . . . . . . 5315 1 1103 . 1 1 85 85 ASN C C 13 177.524 0.2 . 1 . . . . . . . . 5315 1 1104 . 1 1 86 86 LYS N N 15 119.168 0.2 . 1 . . . . . . . . 5315 1 1105 . 1 1 86 86 LYS H H 1 7.570 0.01 . 1 . . . . . . . . 5315 1 1106 . 1 1 86 86 LYS CA C 13 58.761 0.2 . 1 . . . . . . . . 5315 1 1107 . 1 1 86 86 LYS HA H 1 4.153 0.01 . 1 . . . . . . . . 5315 1 1108 . 1 1 86 86 LYS CB C 13 32.780 0.2 . 1 . . . . . . . . 5315 1 1109 . 1 1 86 86 LYS HB2 H 1 1.946 0.01 . 1 . . . . . . . . 5315 1 1110 . 1 1 86 86 LYS HB3 H 1 1.946 0.01 . 1 . . . . . . . . 5315 1 1111 . 1 1 86 86 LYS CG C 13 25.383 0.2 . 1 . . . . . . . . 5315 1 1112 . 1 1 86 86 LYS HG2 H 1 1.610 0.01 . 2 . . . . . . . . 5315 1 1113 . 1 1 86 86 LYS HG3 H 1 1.475 0.01 . 2 . . . . . . . . 5315 1 1114 . 1 1 86 86 LYS CD C 13 29.701 0.2 . 1 . . . . . . . . 5315 1 1115 . 1 1 86 86 LYS HD2 H 1 1.719 0.01 . 1 . . . . . . . . 5315 1 1116 . 1 1 86 86 LYS HD3 H 1 1.719 0.01 . 1 . . . . . . . . 5315 1 1117 . 1 1 86 86 LYS CE C 13 42.393 0.2 . 1 . . . . . . . . 5315 1 1118 . 1 1 86 86 LYS HE2 H 1 3.004 0.01 . 1 . . . . . . . . 5315 1 1119 . 1 1 86 86 LYS HE3 H 1 3.004 0.01 . 1 . . . . . . . . 5315 1 1120 . 1 1 86 86 LYS C C 13 178.659 0.2 . 1 . . . . . . . . 5315 1 1121 . 1 1 87 87 LEU N N 15 119.596 0.2 . 1 . . . . . . . . 5315 1 1122 . 1 1 87 87 LEU H H 1 7.816 0.01 . 1 . . . . . . . . 5315 1 1123 . 1 1 87 87 LEU CA C 13 56.939 0.2 . 1 . . . . . . . . 5315 1 1124 . 1 1 87 87 LEU HA H 1 4.149 0.01 . 1 . . . . . . . . 5315 1 1125 . 1 1 87 87 LEU CB C 13 42.529 0.2 . 1 . . . . . . . . 5315 1 1126 . 1 1 87 87 LEU HB2 H 1 1.584 0.01 . 2 . . . . . . . . 5315 1 1127 . 1 1 87 87 LEU HB3 H 1 1.809 0.01 . 2 . . . . . . . . 5315 1 1128 . 1 1 87 87 LEU CG C 13 26.810 0.2 . 1 . . . . . . . . 5315 1 1129 . 1 1 87 87 LEU HG H 1 1.782 0.01 . 1 . . . . . . . . 5315 1 1130 . 1 1 87 87 LEU CD1 C 13 25.585 0.2 . 1 . . . . . . . . 5315 1 1131 . 1 1 87 87 LEU HD11 H 1 0.851 0.01 . 1 . . . . . . . . 5315 1 1132 . 1 1 87 87 LEU HD12 H 1 0.851 0.01 . 1 . . . . . . . . 5315 1 1133 . 1 1 87 87 LEU HD13 H 1 0.851 0.01 . 1 . . . . . . . . 5315 1 1134 . 1 1 87 87 LEU CD2 C 13 23.675 0.2 . 1 . . . . . . . . 5315 1 1135 . 1 1 87 87 LEU HD21 H 1 0.852 0.01 . 1 . . . . . . . . 5315 1 1136 . 1 1 87 87 LEU HD22 H 1 0.852 0.01 . 1 . . . . . . . . 5315 1 1137 . 1 1 87 87 LEU HD23 H 1 0.852 0.01 . 1 . . . . . . . . 5315 1 1138 . 1 1 87 87 LEU C C 13 178.443 0.2 . 1 . . . . . . . . 5315 1 1139 . 1 1 88 88 GLN N N 15 117.647 0.2 . 1 . . . . . . . . 5315 1 1140 . 1 1 88 88 GLN H H 1 7.854 0.01 . 1 . . . . . . . . 5315 1 1141 . 1 1 88 88 GLN CA C 13 56.958 0.2 . 1 . . . . . . . . 5315 1 1142 . 1 1 88 88 GLN HA H 1 4.200 0.01 . 1 . . . . . . . . 5315 1 1143 . 1 1 88 88 GLN CB C 13 29.466 0.2 . 1 . . . . . . . . 5315 1 1144 . 1 1 88 88 GLN HB2 H 1 2.080 0.01 . 1 . . . . . . . . 5315 1 1145 . 1 1 88 88 GLN HB3 H 1 2.080 0.01 . 1 . . . . . . . . 5315 1 1146 . 1 1 88 88 GLN CG C 13 34.187 0.2 . 1 . . . . . . . . 5315 1 1147 . 1 1 88 88 GLN HG2 H 1 2.367 0.01 . 1 . . . . . . . . 5315 1 1148 . 1 1 88 88 GLN HG3 H 1 2.367 0.01 . 1 . . . . . . . . 5315 1 1149 . 1 1 88 88 GLN NE2 N 15 111.419 0.2 . 1 . . . . . . . . 5315 1 1150 . 1 1 88 88 GLN HE21 H 1 7.367 0.01 . 1 . . . . . . . . 5315 1 1151 . 1 1 88 88 GLN HE22 H 1 6.822 0.01 . 1 . . . . . . . . 5315 1 1152 . 1 1 88 88 GLN C C 13 176.466 0.2 . 1 . . . . . . . . 5315 1 1153 . 1 1 89 89 HIS N N 15 117.764 0.2 . 1 . . . . . . . . 5315 1 1154 . 1 1 89 89 HIS H H 1 8.025 0.01 . 1 . . . . . . . . 5315 1 1155 . 1 1 89 89 HIS CA C 13 56.211 0.2 . 1 . . . . . . . . 5315 1 1156 . 1 1 89 89 HIS HA H 1 4.664 0.01 . 1 . . . . . . . . 5315 1 1157 . 1 1 89 89 HIS CB C 13 29.250 0.2 . 1 . . . . . . . . 5315 1 1158 . 1 1 89 89 HIS HB2 H 1 3.178 0.01 . 2 . . . . . . . . 5315 1 1159 . 1 1 89 89 HIS HB3 H 1 3.310 0.01 . 2 . . . . . . . . 5315 1 1160 . 1 1 89 89 HIS CD2 C 13 120.440 0.2 . 1 . . . . . . . . 5315 1 1161 . 1 1 89 89 HIS HD2 H 1 7.312 0.01 . 1 . . . . . . . . 5315 1 1162 . 1 1 89 89 HIS CE1 C 13 136.922 0.2 . 1 . . . . . . . . 5315 1 1163 . 1 1 89 89 HIS HE1 H 1 8.433 0.01 . 1 . . . . . . . . 5315 1 1164 . 1 1 89 89 HIS C C 13 175.051 0.2 . 1 . . . . . . . . 5315 1 1165 . 1 1 90 90 LYS N N 15 122.073 0.2 . 1 . . . . . . . . 5315 1 1166 . 1 1 90 90 LYS H H 1 8.141 0.01 . 1 . . . . . . . . 5315 1 1167 . 1 1 90 90 LYS CA C 13 57.476 0.2 . 1 . . . . . . . . 5315 1 1168 . 1 1 90 90 LYS HA H 1 4.283 0.01 . 1 . . . . . . . . 5315 1 1169 . 1 1 90 90 LYS CB C 13 33.147 0.2 . 1 . . . . . . . . 5315 1 1170 . 1 1 90 90 LYS HB2 H 1 1.858 0.01 . 1 . . . . . . . . 5315 1 1171 . 1 1 90 90 LYS HB3 H 1 1.858 0.01 . 1 . . . . . . . . 5315 1 1172 . 1 1 90 90 LYS CG C 13 25.108 0.2 . 1 . . . . . . . . 5315 1 1173 . 1 1 90 90 LYS HG2 H 1 1.464 0.01 . 1 . . . . . . . . 5315 1 1174 . 1 1 90 90 LYS HG3 H 1 1.464 0.01 . 1 . . . . . . . . 5315 1 1175 . 1 1 90 90 LYS CD C 13 29.629 0.2 . 1 . . . . . . . . 5315 1 1176 . 1 1 90 90 LYS HD2 H 1 1.697 0.01 . 1 . . . . . . . . 5315 1 1177 . 1 1 90 90 LYS HD3 H 1 1.697 0.01 . 1 . . . . . . . . 5315 1 1178 . 1 1 90 90 LYS CE C 13 42.429 0.2 . 1 . . . . . . . . 5315 1 1179 . 1 1 90 90 LYS HE2 H 1 3.002 0.01 . 1 . . . . . . . . 5315 1 1180 . 1 1 90 90 LYS HE3 H 1 3.002 0.01 . 1 . . . . . . . . 5315 1 1181 . 1 1 90 90 LYS C C 13 177.404 0.2 . 1 . . . . . . . . 5315 1 1182 . 1 1 91 91 GLY N N 15 109.960 0.2 . 1 . . . . . . . . 5315 1 1183 . 1 1 91 91 GLY H H 1 8.446 0.01 . 1 . . . . . . . . 5315 1 1184 . 1 1 91 91 GLY CA C 13 45.805 0.2 . 1 . . . . . . . . 5315 1 1185 . 1 1 91 91 GLY HA2 H 1 3.969 0.01 . 1 . . . . . . . . 5315 1 1186 . 1 1 91 91 GLY HA3 H 1 3.969 0.01 . 1 . . . . . . . . 5315 1 1187 . 1 1 91 91 GLY C C 13 174.488 0.2 . 1 . . . . . . . . 5315 1 1188 . 1 1 92 92 GLU N N 15 120.709 0.2 . 1 . . . . . . . . 5315 1 1189 . 1 1 92 92 GLU H H 1 8.113 0.01 . 1 . . . . . . . . 5315 1 1190 . 1 1 92 92 GLU CA C 13 56.784 0.2 . 1 . . . . . . . . 5315 1 1191 . 1 1 92 92 GLU HA H 1 4.270 0.01 . 1 . . . . . . . . 5315 1 1192 . 1 1 92 92 GLU CB C 13 30.782 0.2 . 1 . . . . . . . . 5315 1 1193 . 1 1 92 92 GLU HB2 H 1 1.983 0.01 . 2 . . . . . . . . 5315 1 1194 . 1 1 92 92 GLU HB3 H 1 2.080 0.01 . 2 . . . . . . . . 5315 1 1195 . 1 1 92 92 GLU CG C 13 36.484 0.2 . 1 . . . . . . . . 5315 1 1196 . 1 1 92 92 GLU HG2 H 1 2.299 0.01 . 1 . . . . . . . . 5315 1 1197 . 1 1 92 92 GLU HG3 H 1 2.299 0.01 . 1 . . . . . . . . 5315 1 1198 . 1 1 92 92 GLU C C 13 176.668 0.2 . 1 . . . . . . . . 5315 1 1199 . 1 1 93 93 ALA N N 15 124.995 0.2 . 1 . . . . . . . . 5315 1 1200 . 1 1 93 93 ALA H H 1 8.311 0.01 . 1 . . . . . . . . 5315 1 1201 . 1 1 93 93 ALA CA C 13 53.065 0.2 . 1 . . . . . . . . 5315 1 1202 . 1 1 93 93 ALA HA H 1 4.294 0.01 . 1 . . . . . . . . 5315 1 1203 . 1 1 93 93 ALA CB C 13 19.387 0.2 . 1 . . . . . . . . 5315 1 1204 . 1 1 93 93 ALA HB1 H 1 1.389 0.01 . 1 . . . . . . . . 5315 1 1205 . 1 1 93 93 ALA HB2 H 1 1.389 0.01 . 1 . . . . . . . . 5315 1 1206 . 1 1 93 93 ALA HB3 H 1 1.389 0.01 . 1 . . . . . . . . 5315 1 1207 . 1 1 93 93 ALA C C 13 177.997 0.2 . 1 . . . . . . . . 5315 1 1208 . 1 1 94 94 ARG N N 15 120.209 0.2 . 1 . . . . . . . . 5315 1 1209 . 1 1 94 94 ARG H H 1 8.236 0.01 . 1 . . . . . . . . 5315 1 1210 . 1 1 94 94 ARG CA C 13 56.510 0.2 . 1 . . . . . . . . 5315 1 1211 . 1 1 94 94 ARG HA H 1 4.294 0.01 . 1 . . . . . . . . 5315 1 1212 . 1 1 94 94 ARG CB C 13 31.054 0.2 . 1 . . . . . . . . 5315 1 1213 . 1 1 94 94 ARG HB2 H 1 1.781 0.01 . 2 . . . . . . . . 5315 1 1214 . 1 1 94 94 ARG HB3 H 1 1.855 0.01 . 2 . . . . . . . . 5315 1 1215 . 1 1 94 94 ARG CG C 13 27.453 0.2 . 1 . . . . . . . . 5315 1 1216 . 1 1 94 94 ARG HG2 H 1 1.637 0.01 . 1 . . . . . . . . 5315 1 1217 . 1 1 94 94 ARG HG3 H 1 1.637 0.01 . 1 . . . . . . . . 5315 1 1218 . 1 1 94 94 ARG CD C 13 43.614 0.2 . 1 . . . . . . . . 5315 1 1219 . 1 1 94 94 ARG HD2 H 1 3.206 0.01 . 1 . . . . . . . . 5315 1 1220 . 1 1 94 94 ARG HD3 H 1 3.206 0.01 . 1 . . . . . . . . 5315 1 1221 . 1 1 94 94 ARG NE N 15 84.918 0.2 . 1 . . . . . . . . 5315 1 1222 . 1 1 94 94 ARG HE H 1 7.237 0.01 . 1 . . . . . . . . 5315 1 1223 . 1 1 94 94 ARG C C 13 176.569 0.2 . 1 . . . . . . . . 5315 1 1224 . 1 1 95 95 ARG N N 15 122.310 0.2 . 1 . . . . . . . . 5315 1 1225 . 1 1 95 95 ARG H H 1 8.273 0.01 . 1 . . . . . . . . 5315 1 1226 . 1 1 95 95 ARG CA C 13 56.437 0.2 . 1 . . . . . . . . 5315 1 1227 . 1 1 95 95 ARG HA H 1 4.327 0.01 . 1 . . . . . . . . 5315 1 1228 . 1 1 95 95 ARG CB C 13 31.195 0.2 . 1 . . . . . . . . 5315 1 1229 . 1 1 95 95 ARG HB2 H 1 1.771 0.01 . 2 . . . . . . . . 5315 1 1230 . 1 1 95 95 ARG HB3 H 1 1.857 0.01 . 2 . . . . . . . . 5315 1 1231 . 1 1 95 95 ARG CG C 13 27.460 0.2 . 1 . . . . . . . . 5315 1 1232 . 1 1 95 95 ARG HG2 H 1 1.644 0.01 . 1 . . . . . . . . 5315 1 1233 . 1 1 95 95 ARG HG3 H 1 1.644 0.01 . 1 . . . . . . . . 5315 1 1234 . 1 1 95 95 ARG CD C 13 43.625 0.2 . 1 . . . . . . . . 5315 1 1235 . 1 1 95 95 ARG HD2 H 1 3.205 0.01 . 1 . . . . . . . . 5315 1 1236 . 1 1 95 95 ARG HD3 H 1 3.205 0.01 . 1 . . . . . . . . 5315 1 1237 . 1 1 95 95 ARG NE N 15 84.918 0.2 . 1 . . . . . . . . 5315 1 1238 . 1 1 95 95 ARG HE H 1 7.237 0.01 . 1 . . . . . . . . 5315 1 1239 . 1 1 95 95 ARG C C 13 176.183 0.2 . 1 . . . . . . . . 5315 1 1240 . 1 1 96 96 ALA N N 15 125.227 0.2 . 1 . . . . . . . . 5315 1 1241 . 1 1 96 96 ALA H H 1 8.289 0.01 . 1 . . . . . . . . 5315 1 1242 . 1 1 96 96 ALA CA C 13 52.703 0.2 . 1 . . . . . . . . 5315 1 1243 . 1 1 96 96 ALA HA H 1 4.310 0.01 . 1 . . . . . . . . 5315 1 1244 . 1 1 96 96 ALA CB C 13 19.708 0.2 . 1 . . . . . . . . 5315 1 1245 . 1 1 96 96 ALA HB1 H 1 1.403 0.01 . 1 . . . . . . . . 5315 1 1246 . 1 1 96 96 ALA HB2 H 1 1.403 0.01 . 1 . . . . . . . . 5315 1 1247 . 1 1 96 96 ALA HB3 H 1 1.403 0.01 . 1 . . . . . . . . 5315 1 1248 . 1 1 96 96 ALA C C 13 177.640 0.2 . 1 . . . . . . . . 5315 1 1249 . 1 1 97 97 ALA N N 15 123.363 0.2 . 1 . . . . . . . . 5315 1 1250 . 1 1 97 97 ALA H H 1 8.286 0.01 . 1 . . . . . . . . 5315 1 1251 . 1 1 97 97 ALA CA C 13 52.978 0.2 . 1 . . . . . . . . 5315 1 1252 . 1 1 97 97 ALA HA H 1 4.360 0.01 . 1 . . . . . . . . 5315 1 1253 . 1 1 97 97 ALA CB C 13 19.591 0.2 . 1 . . . . . . . . 5315 1 1254 . 1 1 97 97 ALA HB1 H 1 1.427 0.01 . 1 . . . . . . . . 5315 1 1255 . 1 1 97 97 ALA HB2 H 1 1.427 0.01 . 1 . . . . . . . . 5315 1 1256 . 1 1 97 97 ALA HB3 H 1 1.427 0.01 . 1 . . . . . . . . 5315 1 1257 . 1 1 97 97 ALA C C 13 178.075 0.2 . 1 . . . . . . . . 5315 1 1258 . 1 1 98 98 THR N N 15 112.229 0.2 . 1 . . . . . . . . 5315 1 1259 . 1 1 98 98 THR H H 1 8.031 0.01 . 1 . . . . . . . . 5315 1 1260 . 1 1 98 98 THR CA C 13 61.981 0.2 . 1 . . . . . . . . 5315 1 1261 . 1 1 98 98 THR HA H 1 4.372 0.01 . 1 . . . . . . . . 5315 1 1262 . 1 1 98 98 THR CB C 13 70.053 0.2 . 1 . . . . . . . . 5315 1 1263 . 1 1 98 98 THR HB H 1 4.271 0.01 . 1 . . . . . . . . 5315 1 1264 . 1 1 98 98 THR CG2 C 13 21.917 0.2 . 1 . . . . . . . . 5315 1 1265 . 1 1 98 98 THR HG21 H 1 1.221 0.01 . 1 . . . . . . . . 5315 1 1266 . 1 1 98 98 THR HG22 H 1 1.221 0.01 . 1 . . . . . . . . 5315 1 1267 . 1 1 98 98 THR HG23 H 1 1.221 0.01 . 1 . . . . . . . . 5315 1 1268 . 1 1 98 98 THR C C 13 174.645 0.2 . 1 . . . . . . . . 5315 1 1269 . 1 1 99 99 SER N N 15 117.781 0.2 . 1 . . . . . . . . 5315 1 1270 . 1 1 99 99 SER H H 1 8.219 0.01 . 1 . . . . . . . . 5315 1 1271 . 1 1 99 99 SER CA C 13 58.466 0.2 . 1 . . . . . . . . 5315 1 1272 . 1 1 99 99 SER HA H 1 4.517 0.01 . 1 . . . . . . . . 5315 1 1273 . 1 1 99 99 SER CB C 13 64.247 0.2 . 1 . . . . . . . . 5315 1 1274 . 1 1 99 99 SER HB2 H 1 3.880 0.01 . 1 . . . . . . . . 5315 1 1275 . 1 1 99 99 SER HB3 H 1 3.880 0.01 . 1 . . . . . . . . 5315 1 1276 . 1 1 99 99 SER C C 13 174.607 0.2 . 1 . . . . . . . . 5315 1 1277 . 1 1 100 100 VAL N N 15 121.644 0.2 . 1 . . . . . . . . 5315 1 1278 . 1 1 100 100 VAL H H 1 8.072 0.01 . 1 . . . . . . . . 5315 1 1279 . 1 1 100 100 VAL CA C 13 62.784 0.2 . 1 . . . . . . . . 5315 1 1280 . 1 1 100 100 VAL HA H 1 4.089 0.01 . 1 . . . . . . . . 5315 1 1281 . 1 1 100 100 VAL CB C 13 32.880 0.2 . 1 . . . . . . . . 5315 1 1282 . 1 1 100 100 VAL HB H 1 2.082 0.01 . 1 . . . . . . . . 5315 1 1283 . 1 1 100 100 VAL CG2 C 13 20.795 0.2 . 1 . . . . . . . . 5315 1 1284 . 1 1 100 100 VAL HG21 H 1 0.922 0.01 . 1 . . . . . . . . 5315 1 1285 . 1 1 100 100 VAL HG22 H 1 0.922 0.01 . 1 . . . . . . . . 5315 1 1286 . 1 1 100 100 VAL HG23 H 1 0.922 0.01 . 1 . . . . . . . . 5315 1 1287 . 1 1 100 100 VAL CG1 C 13 21.542 0.2 . 1 . . . . . . . . 5315 1 1288 . 1 1 100 100 VAL HG11 H 1 0.922 0.01 . 1 . . . . . . . . 5315 1 1289 . 1 1 100 100 VAL HG12 H 1 0.922 0.01 . 1 . . . . . . . . 5315 1 1290 . 1 1 100 100 VAL HG13 H 1 0.922 0.01 . 1 . . . . . . . . 5315 1 1291 . 1 1 100 100 VAL C C 13 176.232 0.2 . 1 . . . . . . . . 5315 1 1292 . 1 1 101 101 LYS N N 15 124.331 0.2 . 1 . . . . . . . . 5315 1 1293 . 1 1 101 101 LYS H H 1 8.262 0.01 . 1 . . . . . . . . 5315 1 1294 . 1 1 101 101 LYS CA C 13 56.693 0.2 . 1 . . . . . . . . 5315 1 1295 . 1 1 101 101 LYS HA H 1 4.269 0.01 . 1 . . . . . . . . 5315 1 1296 . 1 1 101 101 LYS CB C 13 33.270 0.2 . 1 . . . . . . . . 5315 1 1297 . 1 1 101 101 LYS HB2 H 1 1.787 0.01 . 1 . . . . . . . . 5315 1 1298 . 1 1 101 101 LYS HB3 H 1 1.787 0.01 . 1 . . . . . . . . 5315 1 1299 . 1 1 101 101 LYS CG C 13 24.969 0.2 . 1 . . . . . . . . 5315 1 1300 . 1 1 101 101 LYS HG2 H 1 1.365 0.01 . 1 . . . . . . . . 5315 1 1301 . 1 1 101 101 LYS HG3 H 1 1.365 0.01 . 1 . . . . . . . . 5315 1 1302 . 1 1 101 101 LYS CD C 13 30.665 0.2 . 1 . . . . . . . . 5315 1 1303 . 1 1 101 101 LYS HD2 H 1 1.621 0.01 . 1 . . . . . . . . 5315 1 1304 . 1 1 101 101 LYS HD3 H 1 1.621 0.01 . 1 . . . . . . . . 5315 1 1305 . 1 1 101 101 LYS HE2 H 1 3.000 0.01 . 1 . . . . . . . . 5315 1 1306 . 1 1 101 101 LYS HE3 H 1 3.000 0.01 . 1 . . . . . . . . 5315 1 1307 . 1 1 101 101 LYS C C 13 176.297 0.2 . 1 . . . . . . . . 5315 1 1308 . 1 1 102 102 ASP N N 15 121.388 0.2 . 1 . . . . . . . . 5315 1 1309 . 1 1 102 102 ASP H H 1 8.156 0.01 . 1 . . . . . . . . 5315 1 1310 . 1 1 102 102 ASP CA C 13 54.610 0.2 . 1 . . . . . . . . 5315 1 1311 . 1 1 102 102 ASP HA H 1 4.564 0.01 . 1 . . . . . . . . 5315 1 1312 . 1 1 102 102 ASP CB C 13 41.722 0.2 . 1 . . . . . . . . 5315 1 1313 . 1 1 102 102 ASP HB2 H 1 2.655 0.01 . 2 . . . . . . . . 5315 1 1314 . 1 1 102 102 ASP HB3 H 1 2.732 0.01 . 2 . . . . . . . . 5315 1 1315 . 1 1 102 102 ASP C C 13 176.122 0.2 . 1 . . . . . . . . 5315 1 1316 . 1 1 103 103 ALA N N 15 124.123 0.2 . 1 . . . . . . . . 5315 1 1317 . 1 1 103 103 ALA H H 1 8.192 0.01 . 1 . . . . . . . . 5315 1 1318 . 1 1 103 103 ALA CA C 13 53.284 0.2 . 1 . . . . . . . . 5315 1 1319 . 1 1 103 103 ALA HA H 1 4.224 0.01 . 1 . . . . . . . . 5315 1 1320 . 1 1 103 103 ALA CB C 13 19.524 0.2 . 1 . . . . . . . . 5315 1 1321 . 1 1 103 103 ALA HB1 H 1 1.345 0.01 . 1 . . . . . . . . 5315 1 1322 . 1 1 103 103 ALA HB2 H 1 1.345 0.01 . 1 . . . . . . . . 5315 1 1323 . 1 1 103 103 ALA HB3 H 1 1.345 0.01 . 1 . . . . . . . . 5315 1 1324 . 1 1 103 103 ALA C C 13 177.527 0.2 . 1 . . . . . . . . 5315 1 1325 . 1 1 104 104 ASN N N 15 116.569 0.2 . 1 . . . . . . . . 5315 1 1326 . 1 1 104 104 ASN H H 1 8.349 0.01 . 1 . . . . . . . . 5315 1 1327 . 1 1 104 104 ASN CA C 13 53.561 0.2 . 1 . . . . . . . . 5315 1 1328 . 1 1 104 104 ASN HA H 1 4.650 0.01 . 1 . . . . . . . . 5315 1 1329 . 1 1 104 104 ASN CB C 13 39.273 0.2 . 1 . . . . . . . . 5315 1 1330 . 1 1 104 104 ASN HB2 H 1 2.710 0.01 . 1 . . . . . . . . 5315 1 1331 . 1 1 104 104 ASN HB3 H 1 2.710 0.01 . 1 . . . . . . . . 5315 1 1332 . 1 1 104 104 ASN ND2 N 15 113.336 0.2 . 1 . . . . . . . . 5315 1 1333 . 1 1 104 104 ASN HD21 H 1 6.854 0.01 . 2 . . . . . . . . 5315 1 1334 . 1 1 104 104 ASN HD22 H 1 7.596 0.01 . 2 . . . . . . . . 5315 1 1335 . 1 1 104 104 ASN C C 13 174.804 0.2 . 1 . . . . . . . . 5315 1 1336 . 1 1 105 105 PHE N N 15 120.680 0.2 . 1 . . . . . . . . 5315 1 1337 . 1 1 105 105 PHE H H 1 7.949 0.01 . 1 . . . . . . . . 5315 1 1338 . 1 1 105 105 PHE CA C 13 58.261 0.2 . 1 . . . . . . . . 5315 1 1339 . 1 1 105 105 PHE HA H 1 4.598 0.01 . 1 . . . . . . . . 5315 1 1340 . 1 1 105 105 PHE CB C 13 39.965 0.2 . 1 . . . . . . . . 5315 1 1341 . 1 1 105 105 PHE HB2 H 1 3.091 0.01 . 1 . . . . . . . . 5315 1 1342 . 1 1 105 105 PHE HB3 H 1 3.091 0.01 . 1 . . . . . . . . 5315 1 1343 . 1 1 105 105 PHE CD1 C 13 132.047 0.2 . 1 . . . . . . . . 5315 1 1344 . 1 1 105 105 PHE HD1 H 1 7.219 0.01 . 1 . . . . . . . . 5315 1 1345 . 1 1 105 105 PHE CE1 C 13 131.524 0.2 . 1 . . . . . . . . 5315 1 1346 . 1 1 105 105 PHE HE1 H 1 7.325 0.01 . 1 . . . . . . . . 5315 1 1347 . 1 1 105 105 PHE CZ C 13 129.914 0.2 . 1 . . . . . . . . 5315 1 1348 . 1 1 105 105 PHE HZ H 1 7.282 0.01 . 1 . . . . . . . . 5315 1 1349 . 1 1 105 105 PHE CE2 C 13 131.524 0.2 . 1 . . . . . . . . 5315 1 1350 . 1 1 105 105 PHE HE2 H 1 7.325 0.01 . 1 . . . . . . . . 5315 1 1351 . 1 1 105 105 PHE CD2 C 13 132.047 0.2 . 1 . . . . . . . . 5315 1 1352 . 1 1 105 105 PHE HD2 H 1 7.219 0.01 . 1 . . . . . . . . 5315 1 1353 . 1 1 105 105 PHE C C 13 175.264 0.2 . 1 . . . . . . . . 5315 1 1354 . 1 1 106 106 VAL N N 15 123.113 0.2 . 1 . . . . . . . . 5315 1 1355 . 1 1 106 106 VAL H H 1 7.896 0.01 . 1 . . . . . . . . 5315 1 1356 . 1 1 106 106 VAL CA C 13 62.262 0.2 . 1 . . . . . . . . 5315 1 1357 . 1 1 106 106 VAL HA H 1 4.040 0.01 . 1 . . . . . . . . 5315 1 1358 . 1 1 106 106 VAL CB C 13 33.444 0.2 . 1 . . . . . . . . 5315 1 1359 . 1 1 106 106 VAL HB H 1 1.981 0.01 . 1 . . . . . . . . 5315 1 1360 . 1 1 106 106 VAL CG2 C 13 20.971 0.2 . 1 . . . . . . . . 5315 1 1361 . 1 1 106 106 VAL HG21 H 1 0.879 0.01 . 1 . . . . . . . . 5315 1 1362 . 1 1 106 106 VAL HG22 H 1 0.879 0.01 . 1 . . . . . . . . 5315 1 1363 . 1 1 106 106 VAL HG23 H 1 0.879 0.01 . 1 . . . . . . . . 5315 1 1364 . 1 1 106 106 VAL CG1 C 13 21.439 0.2 . 1 . . . . . . . . 5315 1 1365 . 1 1 106 106 VAL HG11 H 1 0.879 0.01 . 1 . . . . . . . . 5315 1 1366 . 1 1 106 106 VAL HG12 H 1 0.879 0.01 . 1 . . . . . . . . 5315 1 1367 . 1 1 106 106 VAL HG13 H 1 0.879 0.01 . 1 . . . . . . . . 5315 1 1368 . 1 1 106 106 VAL C C 13 175.385 0.2 . 1 . . . . . . . . 5315 1 1369 . 1 1 107 107 GLU N N 15 124.642 0.2 . 1 . . . . . . . . 5315 1 1370 . 1 1 107 107 GLU H H 1 8.290 0.01 . 1 . . . . . . . . 5315 1 1371 . 1 1 107 107 GLU CA C 13 56.668 0.2 . 1 . . . . . . . . 5315 1 1372 . 1 1 107 107 GLU HA H 1 4.226 0.01 . 1 . . . . . . . . 5315 1 1373 . 1 1 107 107 GLU CB C 13 30.750 0.2 . 1 . . . . . . . . 5315 1 1374 . 1 1 107 107 GLU HB2 H 1 1.921 0.01 . 2 . . . . . . . . 5315 1 1375 . 1 1 107 107 GLU HB3 H 1 2.041 0.01 . 2 . . . . . . . . 5315 1 1376 . 1 1 107 107 GLU CG C 13 36.345 0.2 . 1 . . . . . . . . 5315 1 1377 . 1 1 107 107 GLU HG2 H 1 2.285 0.01 . 1 . . . . . . . . 5315 1 1378 . 1 1 107 107 GLU HG3 H 1 2.285 0.01 . 1 . . . . . . . . 5315 1 1379 . 1 1 107 107 GLU C C 13 176.135 0.2 . 1 . . . . . . . . 5315 1 1380 . 1 1 108 108 GLU N N 15 122.756 0.2 . 1 . . . . . . . . 5315 1 1381 . 1 1 108 108 GLU H H 1 8.384 0.01 . 1 . . . . . . . . 5315 1 1382 . 1 1 108 108 GLU CA C 13 56.536 0.2 . 1 . . . . . . . . 5315 1 1383 . 1 1 108 108 GLU HA H 1 4.336 0.01 . 1 . . . . . . . . 5315 1 1384 . 1 1 108 108 GLU CB C 13 30.667 0.2 . 1 . . . . . . . . 5315 1 1385 . 1 1 108 108 GLU HB2 H 1 2.034 0.01 . 2 . . . . . . . . 5315 1 1386 . 1 1 108 108 GLU HB3 H 1 1.927 0.01 . 2 . . . . . . . . 5315 1 1387 . 1 1 108 108 GLU CG C 13 36.281 0.2 . 1 . . . . . . . . 5315 1 1388 . 1 1 108 108 GLU HG2 H 1 2.267 0.01 . 1 . . . . . . . . 5315 1 1389 . 1 1 108 108 GLU HG3 H 1 2.267 0.01 . 1 . . . . . . . . 5315 1 1390 . 1 1 108 108 GLU C C 13 176.177 0.2 . 1 . . . . . . . . 5315 1 1391 . 1 1 109 109 VAL N N 15 121.475 0.2 . 1 . . . . . . . . 5315 1 1392 . 1 1 109 109 VAL H H 1 8.176 0.01 . 1 . . . . . . . . 5315 1 1393 . 1 1 109 109 VAL CA C 13 62.278 0.2 . 1 . . . . . . . . 5315 1 1394 . 1 1 109 109 VAL HA H 1 4.151 0.01 . 1 . . . . . . . . 5315 1 1395 . 1 1 109 109 VAL CB C 13 33.370 0.2 . 1 . . . . . . . . 5315 1 1396 . 1 1 109 109 VAL HB H 1 2.057 0.01 . 1 . . . . . . . . 5315 1 1397 . 1 1 109 109 VAL CG2 C 13 20.818 0.2 . 1 . . . . . . . . 5315 1 1398 . 1 1 109 109 VAL HG21 H 1 0.914 0.01 . 1 . . . . . . . . 5315 1 1399 . 1 1 109 109 VAL HG22 H 1 0.914 0.01 . 1 . . . . . . . . 5315 1 1400 . 1 1 109 109 VAL HG23 H 1 0.914 0.01 . 1 . . . . . . . . 5315 1 1401 . 1 1 109 109 VAL CG1 C 13 21.584 0.2 . 1 . . . . . . . . 5315 1 1402 . 1 1 109 109 VAL HG11 H 1 0.914 0.01 . 1 . . . . . . . . 5315 1 1403 . 1 1 109 109 VAL HG12 H 1 0.914 0.01 . 1 . . . . . . . . 5315 1 1404 . 1 1 109 109 VAL HG13 H 1 0.914 0.01 . 1 . . . . . . . . 5315 1 1405 . 1 1 109 109 VAL C C 13 175.989 0.2 . 1 . . . . . . . . 5315 1 1406 . 1 1 110 110 GLU N N 15 125.081 0.2 . 1 . . . . . . . . 5315 1 1407 . 1 1 110 110 GLU H H 1 8.461 0.01 . 1 . . . . . . . . 5315 1 1408 . 1 1 110 110 GLU CA C 13 56.567 0.2 . 1 . . . . . . . . 5315 1 1409 . 1 1 110 110 GLU HA H 1 4.365 0.01 . 1 . . . . . . . . 5315 1 1410 . 1 1 110 110 GLU CB C 13 30.750 0.2 . 1 . . . . . . . . 5315 1 1411 . 1 1 110 110 GLU HB2 H 1 2.052 0.01 . 2 . . . . . . . . 5315 1 1412 . 1 1 110 110 GLU HB3 H 1 1.928 0.01 . 2 . . . . . . . . 5315 1 1413 . 1 1 110 110 GLU CG C 13 36.345 0.2 . 1 . . . . . . . . 5315 1 1414 . 1 1 110 110 GLU HG2 H 1 2.282 0.01 . 1 . . . . . . . . 5315 1 1415 . 1 1 110 110 GLU HG3 H 1 2.282 0.01 . 1 . . . . . . . . 5315 1 1416 . 1 1 110 110 GLU C C 13 176.195 0.2 . 1 . . . . . . . . 5315 1 1417 . 1 1 111 111 GLU N N 15 122.972 0.2 . 1 . . . . . . . . 5315 1 1418 . 1 1 111 111 GLU H H 1 8.391 0.01 . 1 . . . . . . . . 5315 1 1419 . 1 1 111 111 GLU CA C 13 56.718 0.2 . 1 . . . . . . . . 5315 1 1420 . 1 1 111 111 GLU HA H 1 4.328 0.01 . 1 . . . . . . . . 5315 1 1421 . 1 1 111 111 GLU CB C 13 30.965 0.2 . 1 . . . . . . . . 5315 1 1422 . 1 1 111 111 GLU HB2 H 1 2.078 0.01 . 2 . . . . . . . . 5315 1 1423 . 1 1 111 111 GLU HB3 H 1 1.932 0.01 . 2 . . . . . . . . 5315 1 1424 . 1 1 111 111 GLU CG C 13 36.320 0.2 . 1 . . . . . . . . 5315 1 1425 . 1 1 111 111 GLU HG2 H 1 2.289 0.01 . 1 . . . . . . . . 5315 1 1426 . 1 1 111 111 GLU HG3 H 1 2.289 0.01 . 1 . . . . . . . . 5315 1 1427 . 1 1 111 111 GLU C C 13 175.521 0.2 . 1 . . . . . . . . 5315 1 1428 . 1 1 112 112 GLU N N 15 127.263 0.2 . 1 . . . . . . . . 5315 1 1429 . 1 1 112 112 GLU H H 1 8.037 0.01 . 1 . . . . . . . . 5315 1 1430 . 1 1 112 112 GLU CA C 13 58.274 0.2 . 1 . . . . . . . . 5315 1 1431 . 1 1 112 112 GLU HA H 1 4.127 0.01 . 1 . . . . . . . . 5315 1 1432 . 1 1 112 112 GLU CB C 13 31.096 0.2 . 1 . . . . . . . . 5315 1 1433 . 1 1 112 112 GLU HB2 H 1 2.059 0.01 . 2 . . . . . . . . 5315 1 1434 . 1 1 112 112 GLU HB3 H 1 1.913 0.01 . 2 . . . . . . . . 5315 1 1435 . 1 1 112 112 GLU HG2 H 1 2.250 0.01 . 1 . . . . . . . . 5315 1 1436 . 1 1 112 112 GLU HG3 H 1 2.250 0.01 . 1 . . . . . . . . 5315 1 1437 . 1 1 112 112 GLU C C 13 181.097 0.2 . 1 . . . . . . . . 5315 1 stop_ save_ ######################## # Coupling constants # ######################## save_3JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNHA _Coupling_constant_list.Entry_ID 5315 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5315 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 ASN H . . . . 1 1 3 3 ASN HA . . . 9.4 . . 0.1 . . . . . . . . . . . 5315 1 2 3JHNHA . 1 1 5 5 THR H . . . . 1 1 5 5 THR HA . . . 10.1 . . 0.3 . . . . . . . . . . . 5315 1 3 3JHNHA . 1 1 6 6 SER H . . . . 1 1 6 6 SER HA . . . 6.2 . . 0.9 . . . . . . . . . . . 5315 1 4 3JHNHA . 1 1 7 7 LYS H . . . . 1 1 7 7 LYS HA . . . 9.6 . . 1.2 . . . . . . . . . . . 5315 1 5 3JHNHA . 1 1 8 8 GLN H . . . . 1 1 8 8 GLN HA . . . 9.3 . . 0.6 . . . . . . . . . . . 5315 1 6 3JHNHA . 1 1 11 11 ILE H . . . . 1 1 11 11 ILE HA . . . 9.1 . . 0.1 . . . . . . . . . . . 5315 1 7 3JHNHA . 1 1 15 15 ILE H . . . . 1 1 15 15 ILE HA . . . 6.2 . . 0.3 . . . . . . . . . . . 5315 1 8 3JHNHA . 1 1 17 17 GLN H . . . . 1 1 17 17 GLN HA . . . 4.7 . . 0.3 . . . . . . . . . . . 5315 1 9 3JHNHA . 1 1 18 18 HIS H . . . . 1 1 18 18 HIS HA . . . 3.7 . . 0.4 . . . . . . . . . . . 5315 1 10 3JHNHA . 1 1 19 19 VAL H . . . . 1 1 19 19 VAL HA . . . 4.5 . . 0.5 . . . . . . . . . . . 5315 1 11 3JHNHA . 1 1 20 20 ALA H . . . . 1 1 20 20 ALA HA . . . 3.1 . . 0.7 . . . . . . . . . . . 5315 1 12 3JHNHA . 1 1 21 21 ASP H . . . . 1 1 21 21 ASP HA . . . 4.2 . . 0.3 . . . . . . . . . . . 5315 1 13 3JHNHA . 1 1 22 22 ARG H . . . . 1 1 22 22 ARG HA . . . 6.7 . . 0.2 . . . . . . . . . . . 5315 1 14 3JHNHA . 1 1 23 23 LEU H . . . . 1 1 23 23 LEU HA . . . 5.4 . . 0.3 . . . . . . . . . . . 5315 1 15 3JHNHA . 1 1 24 24 ALA H . . . . 1 1 24 24 ALA HA . . . 4.0 . . 1.2 . . . . . . . . . . . 5315 1 16 3JHNHA . 1 1 25 25 LYS H . . . . 1 1 25 25 LYS HA . . . 6.6 . . 0.2 . . . . . . . . . . . 5315 1 17 3JHNHA . 1 1 26 26 LEU H . . . . 1 1 26 26 LEU HA . . . 6.8 . . 1.1 . . . . . . . . . . . 5315 1 18 3JHNHA . 1 1 29 29 TRP H . . . . 1 1 29 29 TRP HA . . . 7.5 . . 0.5 . . . . . . . . . . . 5315 1 19 3JHNHA . 1 1 31 31 THR H . . . . 1 1 31 31 THR HA . . . 6.7 . . 1.4 . . . . . . . . . . . 5315 1 20 3JHNHA . 1 1 35 35 ASN H . . . . 1 1 35 35 ASN HA . . . 7.4 . . 2.5 . . . . . . . . . . . 5315 1 21 3JHNHA . 1 1 37 37 HIS H . . . . 1 1 37 37 HIS HA . . . 9.3 . . 0.1 . . . . . . . . . . . 5315 1 22 3JHNHA . 1 1 38 38 ILE H . . . . 1 1 38 38 ILE HA . . . 10.5 . . 0.8 . . . . . . . . . . . 5315 1 23 3JHNHA . 1 1 39 39 ILE H . . . . 1 1 39 39 ILE HA . . . 10.0 . . 0.1 . . . . . . . . . . . 5315 1 24 3JHNHA . 1 1 40 40 LEU H . . . . 1 1 40 40 LEU HA . . . 10.4 . . 0.1 . . . . . . . . . . . 5315 1 25 3JHNHA . 1 1 41 41 SER H . . . . 1 1 41 41 SER HA . . . 9.9 . . 0.1 . . . . . . . . . . . 5315 1 26 3JHNHA . 1 1 43 43 GLU H . . . . 1 1 43 43 GLU HA . . . 9.8 . . 0.1 . . . . . . . . . . . 5315 1 27 3JHNHA . 1 1 45 45 GLN H . . . . 1 1 45 45 GLN HA . . . 8.1 . . 0.1 . . . . . . . . . . . 5315 1 28 3JHNHA . 1 1 47 47 PHE H . . . . 1 1 47 47 PHE HA . . . 9.5 . . 0.1 . . . . . . . . . . . 5315 1 29 3JHNHA . 1 1 48 48 VAL H . . . . 1 1 48 48 VAL HA . . . 10.4 . . 0.1 . . . . . . . . . . . 5315 1 30 3JHNHA . 1 1 49 49 ALA H . . . . 1 1 49 49 ALA HA . . . 10.2 . . 0.1 . . . . . . . . . . . 5315 1 31 3JHNHA . 1 1 50 50 ASP H . . . . 1 1 50 50 ASP HA . . . 9.6 . . 0.1 . . . . . . . . . . . 5315 1 32 3JHNHA . 1 1 51 51 ALA H . . . . 1 1 51 51 ALA HA . . . 8.9 . . 0.1 . . . . . . . . . . . 5315 1 33 3JHNHA . 1 1 52 52 THR H . . . . 1 1 52 52 THR HA . . . 8.7 . . 0.4 . . . . . . . . . . . 5315 1 34 3JHNHA . 1 1 53 53 ILE H . . . . 1 1 53 53 ILE HA . . . 10.2 . . 0.1 . . . . . . . . . . . 5315 1 35 3JHNHA . 1 1 54 54 ASN H . . . . 1 1 54 54 ASN HA . . . 8.4 . . 0.2 . . . . . . . . . . . 5315 1 36 3JHNHA . 1 1 55 55 THR H . . . . 1 1 55 55 THR HA . . . 9.6 . . 0.1 . . . . . . . . . . . 5315 1 37 3JHNHA . 1 1 57 57 ASN H . . . . 1 1 57 57 ASN HA . . . 10.2 . . 0.1 . . . . . . . . . . . 5315 1 38 3JHNHA . 1 1 60 60 LEU H . . . . 1 1 60 60 LEU HA . . . 9.7 . . 0.1 . . . . . . . . . . . 5315 1 39 3JHNHA . 1 1 61 61 VAL H . . . . 1 1 61 61 VAL HA . . . 9.2 . . 0.1 . . . . . . . . . . . 5315 1 40 3JHNHA . 1 1 62 62 ALA H . . . . 1 1 62 62 ALA HA . . . 7.6 . . 0.1 . . . . . . . . . . . 5315 1 41 3JHNHA . 1 1 63 63 SER H . . . . 1 1 63 63 SER HA . . . 8.8 . . 0.1 . . . . . . . . . . . 5315 1 42 3JHNHA . 1 1 66 66 HIS H . . . . 1 1 66 66 HIS HA . . . 5.4 . . 0.2 . . . . . . . . . . . 5315 1 43 3JHNHA . 1 1 67 67 GLU H . . . . 1 1 67 67 GLU HA . . . 4.0 . . 0.6 . . . . . . . . . . . 5315 1 44 3JHNHA . 1 1 68 68 ASP H . . . . 1 1 68 68 ASP HA . . . 9.2 . . 0.6 . . . . . . . . . . . 5315 1 45 3JHNHA . 1 1 69 69 MET H . . . . 1 1 69 69 MET HA . . . 2.3 . . 1.3 . . . . . . . . . . . 5315 1 46 3JHNHA . 1 1 70 70 TYR H . . . . 1 1 70 70 TYR HA . . . 5.2 . . 0.2 . . . . . . . . . . . 5315 1 47 3JHNHA . 1 1 71 71 THR H . . . . 1 1 71 71 THR HA . . . 4.9 . . 0.4 . . . . . . . . . . . 5315 1 48 3JHNHA . 1 1 72 72 ALA H . . . . 1 1 72 72 ALA HA . . . 4.4 . . 0.9 . . . . . . . . . . . 5315 1 49 3JHNHA . 1 1 73 73 ILE H . . . . 1 1 73 73 ILE HA . . . 4.5 . . 0.5 . . . . . . . . . . . 5315 1 50 3JHNHA . 1 1 74 74 ASN H . . . . 1 1 74 74 ASN HA . . . 4.8 . . 0.4 . . . . . . . . . . . 5315 1 51 3JHNHA . 1 1 75 75 GLU H . . . . 1 1 75 75 GLU HA . . . 4.9 . . 0.3 . . . . . . . . . . . 5315 1 52 3JHNHA . 1 1 76 76 LEU H . . . . 1 1 76 76 LEU HA . . . 3.5 . . 0.8 . . . . . . . . . . . 5315 1 53 3JHNHA . 1 1 78 78 ASN H . . . . 1 1 78 78 ASN HA . . . 3.7 . . 0.4 . . . . . . . . . . . 5315 1 54 3JHNHA . 1 1 80 80 LEU H . . . . 1 1 80 80 LEU HA . . . 4.6 . . 0.5 . . . . . . . . . . . 5315 1 55 3JHNHA . 1 1 81 81 GLU H . . . . 1 1 81 81 GLU HA . . . 3.2 . . 0.8 . . . . . . . . . . . 5315 1 56 3JHNHA . 1 1 82 82 ARG H . . . . 1 1 82 82 ARG HA . . . 4.9 . . 0.3 . . . . . . . . . . . 5315 1 57 3JHNHA . 1 1 83 83 GLN H . . . . 1 1 83 83 GLN HA . . . 6.3 . . 0.4 . . . . . . . . . . . 5315 1 58 3JHNHA . 1 1 84 84 LEU H . . . . 1 1 84 84 LEU HA . . . 4.8 . . 0.8 . . . . . . . . . . . 5315 1 59 3JHNHA . 1 1 85 85 ASN H . . . . 1 1 85 85 ASN HA . . . 4.5 . . 0.5 . . . . . . . . . . . 5315 1 60 3JHNHA . 1 1 86 86 LYS H . . . . 1 1 86 86 LYS HA . . . 5.9 . . 0.2 . . . . . . . . . . . 5315 1 61 3JHNHA . 1 1 87 87 LEU H . . . . 1 1 87 87 LEU HA . . . 5.5 . . 0.2 . . . . . . . . . . . 5315 1 62 3JHNHA . 1 1 88 88 GLN H . . . . 1 1 88 88 GLN HA . . . 6.5 . . 0.1 . . . . . . . . . . . 5315 1 63 3JHNHA . 1 1 89 89 HIS H . . . . 1 1 89 89 HIS HA . . . 7.5 . . 0.4 . . . . . . . . . . . 5315 1 64 3JHNHA . 1 1 90 90 LYS H . . . . 1 1 90 90 LYS HA . . . 5.6 . . 0.2 . . . . . . . . . . . 5315 1 65 3JHNHA . 1 1 94 94 ARG H . . . . 1 1 94 94 ARG HA . . . 7.7 . . 0.1 . . . . . . . . . . . 5315 1 66 3JHNHA . 1 1 95 95 ARG H . . . . 1 1 95 95 ARG HA . . . 7.9 . . 0.1 . . . . . . . . . . . 5315 1 67 3JHNHA . 1 1 98 98 THR H . . . . 1 1 98 98 THR HA . . . 8.9 . . 0.1 . . . . . . . . . . . 5315 1 68 3JHNHA . 1 1 100 100 VAL H . . . . 1 1 100 100 VAL HA . . . 7.8 . . 0.1 . . . . . . . . . . . 5315 1 69 3JHNHA . 1 1 101 101 LYS H . . . . 1 1 101 101 LYS HA . . . 7.6 . . 0.2 . . . . . . . . . . . 5315 1 70 3JHNHA . 1 1 103 103 ALA H . . . . 1 1 103 103 ALA HA . . . 6.3 . . 0.1 . . . . . . . . . . . 5315 1 71 3JHNHA . 1 1 104 104 ASN H . . . . 1 1 104 104 ASN HA . . . 9.1 . . 0.2 . . . . . . . . . . . 5315 1 72 3JHNHA . 1 1 105 105 PHE H . . . . 1 1 105 105 PHE HA . . . 7.5 . . 0.2 . . . . . . . . . . . 5315 1 73 3JHNHA . 1 1 106 106 VAL H . . . . 1 1 106 106 VAL HA . . . 8.9 . . 0.2 . . . . . . . . . . . 5315 1 74 3JHNHA . 1 1 110 110 GLU H . . . . 1 1 110 110 GLU HA . . . 7.6 . . 0.2 . . . . . . . . . . . 5315 1 75 3JHNHA . 1 1 112 112 GLU H . . . . 1 1 112 112 GLU HA . . . 8.3 . . 0.2 . . . . . . . . . . . 5315 1 stop_ save_